# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_I
_chemical_name_systematic        ?
_chemical_name_common            HS210
_chemical_formula_moiety         'C33 H52 B10 Cu2 N4 P2, C2 H3 N'
_chemical_formula_sum            'C35 H55 B10 Cu2 N5 P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         842.96

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   35.9745(11)
_cell_length_b                   11.7365(4)
_cell_length_c                   20.8392(6)
_cell_angle_alpha                90
_cell_angle_beta                 106.497(2)
_cell_angle_gamma                90
_cell_volume                     8436.4(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    545
_cell_measurement_theta_min      4.3118
_cell_measurement_theta_max      29.2504
_cell_measurement_temperature    120.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.165
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.118
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3504

_exptl_absorpt_coefficient_mu    1.117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.7770
_exptl_absorpt_correction_T_max  0.9001

_exptl_special_details           
;
;

_diffrn_ambient_temperature      120.(2)

_diffrn_source                   ?
_diffrn_source_type              'fine-focus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            75073
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_av_sigmaI/netI    0.0753
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_full        27.89
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             20029
_reflns_number_gt                13201
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0448
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1156
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_restrained_S_all      0.988
_refine_ls_number_reflns         20029
_refine_ls_number_parameters     975
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0592P)²+0.0000P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.892
_refine_diff_density_min         -0.687
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.10774(8) 0.7560(2) 0.54341(13) 0.0177(6) Uani d . 1 . .
H H1A 0.1172 0.8026 0.5844 0.021 Uiso calc R 1 . .
H H1B 0.0804 0.7353 0.5385 0.021 Uiso calc R 1 . .
C C2 0.15156(8) 0.9369(2) 0.49704(14) 0.0183(6) Uani d . 1 . .
C C3 0.16266(8) 0.9966(3) 0.44688(14) 0.0207(6) Uani d . 1 . .
C C4 0.19801(9) 1.0537(3) 0.46319(17) 0.0279(7) Uani d . 1 . .
H H4A 0.206 1.0925 0.4293 0.033 Uiso calc R 1 . .
C C5 0.22159(9) 1.0543(3) 0.52844(18) 0.0320(8) Uani d . 1 . .
H H5A 0.2463 1.09 0.5387 0.038 Uiso calc R 1 . .
C C6 0.20959(9) 1.0037(3) 0.57842(17) 0.0306(8) Uani d . 1 . .
H H6 0.2252 1.0091 0.6235 0.037 Uiso calc R 1 . .
C C7 0.17465(9) 0.9445(3) 0.56319(15) 0.0238(7) Uani d . 1 . .
H H7A 0.1665 0.9092 0.5979 0.029 Uiso calc R 1 . .
C C8 0.11375(9) 1.1041(3) 0.36860(17) 0.0301(7) Uani d . 1 . .
H H8A 0.096 1.104 0.3231 0.045 Uiso calc R 1 . .
H H8B 0.1314 1.1694 0.374 0.045 Uiso calc R 1 . .
H H8C 0.0988 1.1096 0.4011 0.045 Uiso calc R 1 . .
C C9 0.15580(10) 0.9808(3) 0.32753(16) 0.0331(8) Uani d . 1 . .
H H9A 0.1365 0.9822 0.2836 0.05 Uiso calc R 1 . .
H H9B 0.1691 0.907 0.334 0.05 Uiso calc R 1 . .
H H9C 0.1747 1.0418 0.3299 0.05 Uiso calc R 1 . .
C C10 0.06843(8) 0.9290(3) 0.45170(15) 0.0216(7) Uani d . 1 . .
C C11 0.04030(8) 0.9162(3) 0.39021(15) 0.0235(7) Uani d . 1 . .
C C12 0.00855(9) 0.9896(3) 0.37385(18) 0.0339(8) Uani d . 1 . .
H H12 -0.0107 0.9818 0.3321 0.041 Uiso calc R 1 . .
C C13 0.00497(10) 1.0737(3) 0.4181(2) 0.0401(9) Uani d . 1 . .
H H13 -0.0166 1.1241 0.4061 0.048 Uiso calc R 1 . .
C C14 0.03214(10) 1.0854(3) 0.47921(19) 0.0379(9) Uani d . 1 . .
H H14A 0.029 1.1425 0.5096 0.045 Uiso calc R 1 . .
C C15 0.06406(9) 1.0139(3) 0.49634(16) 0.0270(7) Uani d . 1 . .
H H15 0.083 1.0224 0.5384 0.032 Uiso calc R 1 . .
C C16 0.04419(10) 0.8746(3) 0.27774(15) 0.0339(8) Uani d . 1 . .
H H16A 0.0468 0.813 0.2475 0.051 Uiso calc R 1 . .
H H16B 0.066 0.9275 0.2839 0.051 Uiso calc R 1 . .
H H16C 0.0198 0.9155 0.2584 0.051 Uiso calc R 1 . .
C C17 0.01138(9) 0.7449(3) 0.33388(18) 0.0351(8) Uani d . 1 . .
H H17A 0.014 0.6845 0.303 0.053 Uiso calc R 1 . .
H H17B -0.0131 0.7857 0.3151 0.053 Uiso calc R 1 . .
H H17C 0.0115 0.7112 0.377 0.053 Uiso calc R 1 . .
C C18 0.18502(8) 0.6722(3) 0.60075(14) 0.0201(6) Uani d . 1 . .
C C19 0.21492(8) 0.6822(3) 0.57003(14) 0.0205(6) Uani d . 1 . .
C C20 0.25073(9) 0.7244(3) 0.60643(16) 0.0259(7) Uani d . 1 . .
H H20 0.2711 0.7301 0.5858 0.031 Uiso calc R 1 . .
C C21 0.25720(9) 0.7580(3) 0.67155(17) 0.0307(7) Uani d . 1 . .
H H21 0.2818 0.7874 0.6956 0.037 Uiso calc R 1 . .
C C22 0.22751(9) 0.7489(3) 0.70290(16) 0.0300(7) Uani d . 1 . .
H H22 0.2319 0.7724 0.7481 0.036 Uiso calc R 1 . .
C C23 0.19197(9) 0.7054(3) 0.66745(15) 0.0250(7) Uani d . 1 . .
H H23 0.172 0.6981 0.6887 0.03 Uiso calc R 1 . .
C C24 0.23165(9) 0.5435(3) 0.49932(16) 0.0251(7) Uani d . 1 . .
H H24A 0.2273 0.5179 0.453 0.038 Uiso calc R 1 . .
H H24B 0.2242 0.4828 0.5255 0.038 Uiso calc R 1 . .
H H24C 0.2591 0.5619 0.5188 0.038 Uiso calc R 1 . .
C C25 0.21776(9) 0.7368(3) 0.45884(16) 0.0262(7) Uani d . 1 . .
H H25A 0.2128 0.7097 0.4127 0.039 Uiso calc R 1 . .
H H25B 0.2452 0.757 0.4767 0.039 Uiso calc R 1 . .
H H25C 0.2017 0.804 0.4596 0.039 Uiso calc R 1 . .
C C26 0.11907(8) 0.5309(3) 0.60421(13) 0.0195(6) Uani d . 1 . .
C C27 0.13605(9) 0.4232(3) 0.61643(15) 0.0245(7) Uani d . 1 . .
C C28 0.12073(9) 0.3408(3) 0.64938(16) 0.0297(7) Uani d . 1 . .
H H28 0.1328 0.2682 0.6584 0.036 Uiso calc R 1 . .
C C29 0.08782(9) 0.3643(3) 0.66918(15) 0.0300(8) Uani d . 1 . .
H H29 0.0771 0.3075 0.6911 0.036 Uiso calc R 1 . .
C C30 0.07072(9) 0.4705(3) 0.65696(15) 0.0269(7) Uani d . 1 . .
H H30 0.048 0.4862 0.6701 0.032 Uiso calc R 1 . .
C C31 0.08643(9) 0.5546(3) 0.62557(14) 0.0227(7) Uani d . 1 . .
H H31 0.075 0.6281 0.6186 0.027 Uiso calc R 1 . .
C C32 0.20448(11) 0.3881(4) 0.6493(2) 0.0702(15) Uani d . 1 . .
H H32A 0.2269 0.374 0.6325 0.105 Uiso calc R 1 . .
H H32B 0.201 0.3235 0.6769 0.105 Uiso calc R 1 . .
H H32C 0.2089 0.4577 0.6764 0.105 Uiso calc R 1 . .
C C33 0.16325(14) 0.3055(3) 0.5465(3) 0.0652(15) Uani d . 1 . .
H H33A 0.1864 0.2938 0.5314 0.098 Uiso calc R 1 . .
H H33B 0.141 0.3211 0.5078 0.098 Uiso calc R 1 . .
H H33C 0.1582 0.2367 0.5694 0.098 Uiso calc R 1 . .
C C34 0.39333(8) 1.2639(2) 0.43696(13) 0.0169(6) Uani d . 1 . .
H H34A 0.4212 1.2794 0.458 0.02 Uiso calc R 1 . .
H H34B 0.3831 1.2228 0.4697 0.02 Uiso calc R 1 . .
C C35 0.34462(8) 1.0876(2) 0.35230(14) 0.0191(6) Uani d . 1 . .
C C36 0.33090(9) 1.0266(3) 0.29237(14) 0.0218(6) Uani d . 1 . .
C C37 0.29542(9) 0.9718(3) 0.27875(16) 0.0292(7) Uani d . 1 . .
H H37 0.2856 0.9327 0.2375 0.035 Uiso calc R 1 . .
C C38 0.27421(9) 0.9733(3) 0.32466(17) 0.0323(8) Uani d . 1 . .
H H38 0.2498 0.9363 0.3145 0.039 Uiso calc R 1 . .
C C39 0.28834(9) 1.0281(3) 0.38477(16) 0.0274(7) Uani d . 1 . .
H H39 0.2741 1.0266 0.4168 0.033 Uiso calc R 1 . .
C C40 0.32329(8) 1.0853(3) 0.39894(15) 0.0217(6) Uani d . 1 . .
H H40 0.3329 1.1233 0.4406 0.026 Uiso calc R 1 . .
C C41 0.37574(10) 0.9111(3) 0.25472(17) 0.0331(8) Uani d . 1 . .
H H41A 0.392 0.9087 0.2242 0.05 Uiso calc R 1 . .
H H41B 0.3569 0.8488 0.244 0.05 Uiso calc R 1 . .
H H41C 0.3921 0.9028 0.3009 0.05 Uiso calc R 1 . .
C C42 0.33389(10) 1.0411(3) 0.17722(15) 0.0359(8) Uani d . 1 . .
H H42A 0.3517 1.0358 0.1495 0.054 Uiso calc R 1 . .
H H42B 0.3223 1.1173 0.1727 0.054 Uiso calc R 1 . .
H H42C 0.3134 0.9839 0.1625 0.054 Uiso calc R 1 . .
C C43 0.42767(8) 1.0772(3) 0.38559(14) 0.0212(6) Uani d . 1 . .
C C44 0.45610(8) 1.0836(3) 0.35146(15) 0.0242(7) Uani d . 1 . .
C C45 0.48632(10) 1.0054(3) 0.36732(18) 0.0340(8) Uani d . 1 . .
H H45 0.5058 1.0085 0.3446 0.041 Uiso calc R 1 . .
C C46 0.48852(10) 0.9232(3) 0.41561(18) 0.0398(9) Uani d . 1 . .
H H46 0.5093 0.8699 0.4254 0.048 Uiso calc R 1 . .
C C47 0.46061(10) 0.9175(3) 0.44999(17) 0.0348(8) Uani d . 1 . .
H H47 0.4624 0.8615 0.4836 0.042 Uiso calc R 1 . .
C C48 0.43023(9) 0.9946(3) 0.43467(15) 0.0251(7) Uani d . 1 . .
H H48 0.411 0.9911 0.4578 0.03 Uiso calc R 1 . .
C C49 0.45355(10) 1.1196(3) 0.23555(16) 0.0359(9) Uani d . 1 . .
H H49A 0.452 1.1798 0.2023 0.054 Uiso calc R 1 . .
H H49B 0.4311 1.0691 0.2205 0.054 Uiso calc R 1 . .
H H49C 0.4774 1.0755 0.2409 0.054 Uiso calc R 1 . .
C C50 0.48801(9) 1.2482(3) 0.32280(19) 0.0386(9) Uani d . 1 . .
H H50A 0.4865 1.3072 0.2889 0.058 Uiso calc R 1 . .
H H50B 0.5118 1.2038 0.3287 0.058 Uiso calc R 1 . .
H H50C 0.4882 1.2841 0.3654 0.058 Uiso calc R 1 . .
C C51 0.31815(8) 1.3660(2) 0.41748(14) 0.0177(6) Uani d . 1 . .
C C52 0.28756(8) 1.3649(2) 0.35904(15) 0.0197(6) Uani d . 1 . .
C C53 0.25045(9) 1.3361(3) 0.36181(17) 0.0277(7) Uani d . 1 . .
H H53 0.2294 1.3361 0.3221 0.033 Uiso calc R 1 . .
C C54 0.24443(9) 1.3077(3) 0.42233(18) 0.0304(8) Uani d . 1 . .
H H54 0.2191 1.288 0.4239 0.036 Uiso calc R 1 . .
C C55 0.27450(10) 1.3074(3) 0.48033(17) 0.0304(8) Uani d . 1 . .
H H55 0.27 1.2866 0.5215 0.036 Uiso calc R 1 . .
C C56 0.31134(9) 1.3374(3) 0.47848(15) 0.0235(7) Uani d . 1 . .
H H56 0.3321 1.3386 0.5186 0.028 Uiso calc R 1 . .
C C57 0.27325(9) 1.4995(3) 0.26809(16) 0.0273(7) Uani d . 1 . .
H H57A 0.2779 1.5185 0.2252 0.041 Uiso calc R 1 . .
H H57B 0.2824 1.562 0.2998 0.041 Uiso calc R 1 . .
H H57C 0.2454 1.4878 0.2614 0.041 Uiso calc R 1 . .
C C58 0.28136(9) 1.3019(3) 0.24575(16) 0.0298(8) Uani d . 1 . .
H H58A 0.2863 1.3234 0.2035 0.045 Uiso calc R 1 . .
H H58B 0.2535 1.2893 0.2382 0.045 Uiso calc R 1 . .
H H58C 0.2955 1.2317 0.2627 0.045 Uiso calc R 1 . .
C C59 0.38635(8) 1.4938(3) 0.48408(13) 0.0169(6) Uani d . 1 . .
C C60 0.37279(8) 1.6054(3) 0.47713(14) 0.0194(6) Uani d . 1 . .
C C61 0.38732(9) 1.6846(3) 0.52817(16) 0.0299(7) Uani d . 1 . .
H H61 0.3777 1.7605 0.5234 0.036 Uiso calc R 1 . .
C C62 0.41551(10) 1.6529(3) 0.58541(16) 0.0317(8) Uani d . 1 . .
H H62 0.4252 1.7066 0.6203 0.038 Uiso calc R 1 . .
C C63 0.42966(9) 1.5425(3) 0.59181(15) 0.0297(8) Uani d . 1 . .
H H63 0.4496 1.5212 0.6306 0.036 Uiso calc R 1 . .
C C64 0.41494(9) 1.4628(3) 0.54216(14) 0.0232(7) Uani d . 1 . .
H H64 0.4243 1.3867 0.5476 0.028 Uiso calc R 1 . .
C C65 0.30744(9) 1.6719(3) 0.43045(18) 0.0370(9) Uani d . 1 . .
H H65A 0.2881 1.6924 0.3885 0.055 Uiso calc R 1 . .
H H65B 0.3127 1.7381 0.4604 0.055 Uiso calc R 1 . .
H H65C 0.2975 1.6093 0.452 0.055 Uiso calc R 1 . .
C C66 0.35660(10) 1.7233(3) 0.37804(16) 0.0332(8) Uani d . 1 . .
H H66A 0.3358 1.7412 0.3375 0.05 Uiso calc R 1 . .
H H66B 0.3793 1.6951 0.3656 0.05 Uiso calc R 1 . .
H H66C 0.3637 1.7921 0.4054 0.05 Uiso calc R 1 . .
C C100 -0.04584(14) 0.6053(4) 0.5410(3) 0.0652(13) Uani d . 1 . .
H H10A -0.0399 0.6246 0.5886 0.098 Uiso calc R 1 . .
H H10B -0.0519 0.5239 0.5349 0.098 Uiso calc R 1 . .
H H10C -0.0682 0.6499 0.5157 0.098 Uiso calc R 1 . .
C C101 -0.01332(11) 0.6308(3) 0.51768(19) 0.0408(9) Uani d . 1 . .
C C200 0.53469(14) 0.3997(5) 0.5973(3) 0.0798(16) Uani d . 1 . .
H H20A 0.5269 0.3531 0.6303 0.12 Uiso calc R 1 . .
H H20B 0.5319 0.4805 0.6068 0.12 Uiso calc R 1 . .
H H20C 0.5618 0.3836 0.6 0.12 Uiso calc R 1 . .
C C201 0.51247(15) 0.3752(5) 0.5366(3) 0.0720(15) Uani d . 1 . .
N N1 0.13646(7) 0.9977(2) 0.37997(12) 0.0227(6) Uani d . 1 . .
N N2 0.04414(7) 0.8256(2) 0.34381(12) 0.0245(6) Uani d . 1 . .
N N3 0.20799(7) 0.6458(2) 0.50039(12) 0.0202(5) Uani d . 1 . .
N N4 0.16951(8) 0.4019(2) 0.59256(15) 0.0327(7) Uani d . 1 . .
N N5 0.45392(7) 1.1718(2) 0.30082(12) 0.0250(6) Uani d . 1 . .
N N6 0.35520(8) 1.0206(2) 0.24733(12) 0.0254(6) Uani d . 1 . .
N N7 0.29448(7) 1.3938(2) 0.29501(11) 0.0192(5) Uani d . 1 . .
N N8 0.34332(7) 1.6359(2) 0.41628(12) 0.0208(5) Uani d . 1 . .
N N100 0.01293(10) 0.6520(3) 0.49912(18) 0.0533(9) Uani d . 1 . .
N N200 0.48985(17) 0.3432(5) 0.4845(3) 0.1074(17) Uani d . 1 . .
B B1 0.09377(9) 0.5553(3) 0.34408(16) 0.0209(7) Uani d . 1 . .
H H1 0.0742 0.5445 0.3769 0.025 Uiso calc R 1 . .
B B2 0.12527(10) 0.6333(3) 0.31274(16) 0.0213(7) Uani d . 1 . .
H H2 0.1311 0.7239 0.3295 0.026 Uiso calc R 1 . .
B B3 0.13876(10) 0.4941(3) 0.35732(16) 0.0211(7) Uani d . 1 . .
H H3 0.1556 0.4731 0.41 0.025 Uiso calc R 1 . .
B B4 0.09483(10) 0.4309(3) 0.30315(17) 0.0238(8) Uani d . 1 . .
H H4 0.0763 0.3596 0.3123 0.029 Uiso calc R 1 . .
B B5 0.08186(10) 0.5646(3) 0.25819(17) 0.0239(8) Uani d . 1 . .
H H5 0.0528 0.6004 0.2312 0.029 Uiso calc R 1 . .
B B6 0.12307(11) 0.5938(3) 0.22769(17) 0.0283(8) Uani d . 1 . .
H H6A 0.1214 0.6613 0.189 0.034 Uiso calc R 1 . .
B B7 0.16395(10) 0.5456(3) 0.29918(17) 0.0242(8) Uani d . 1 . .
H H7 0.1948 0.5747 0.3178 0.029 Uiso calc R 1 . .
B B8 0.14214(10) 0.4022(3) 0.29084(17) 0.0245(8) Uani d . 1 . .
H H8 0.1557 0.3159 0.3023 0.029 Uiso calc R 1 . .
B B9 0.10190(11) 0.4519(3) 0.22068(18) 0.0276(8) Uani d . 1 . .
H H9 0.0833 0.4053 0.1762 0.033 Uiso calc R 1 . .
B B10 0.14920(11) 0.4747(3) 0.22476(17) 0.0289(9) Uani d . 1 . .
H H10 0.166 0.4505 0.1891 0.035 Uiso calc R 1 . .
B B11 0.40978(10) 1.4457(3) 0.24697(17) 0.0226(8) Uani d . 1 . .
H H11 0.4302 1.4555 0.2984 0.027 Uiso calc R 1 . .
B B12 0.37626(10) 1.3716(3) 0.18692(16) 0.0246(8) Uani d . 1 . .
H H12A 0.3686 1.2836 0.1998 0.03 Uiso calc R 1 . .
B B13 0.36625(10) 1.5155(3) 0.21665(16) 0.0211(7) Uani d . 1 . .
H H13A 0.3506 1.5431 0.2534 0.025 Uiso calc R 1 . .
B B14 0.41073(10) 1.5678(3) 0.20282(17) 0.0235(8) Uani d . 1 . .
H H14 0.4309 1.6372 0.2285 0.028 Uiso calc R 1 . .
B B15 0.42054(11) 1.4280(3) 0.17228(18) 0.0270(8) Uani d . 1 . .
H H15A 0.4486 1.3856 0.1735 0.032 Uiso calc R 1 . .
B B16 0.37804(12) 1.4031(3) 0.10318(18) 0.0313(9) Uani d . 1 . .
H H16 0.3776 1.3322 0.067 0.038 Uiso calc R 1 . .
B B17 0.33916(11) 1.4636(4) 0.13494(17) 0.0291(9) Uani d . 1 . .
H H17 0.3078 1.4409 0.1247 0.035 Uiso calc R 1 . .
B B18 0.36390(11) 1.6024(3) 0.14510(16) 0.0263(8) Uani d . 1 . .
H H18 0.3523 1.6913 0.1423 0.032 Uiso calc R 1 . .
B B19 0.40234(11) 1.5406(3) 0.11376(18) 0.0279(8) Uani d . 1 . .
H H19 0.4215 1.5804 0.0861 0.033 Uiso calc R 1 . .
B B20 0.35462(12) 1.5249(3) 0.07334(18) 0.0318(9) Uani d . 1 . .
H H20D 0.3379 1.5483 0.021 0.038 Uiso calc R 1 . .
P P1 0.11094(2) 0.83887(7) 0.47004(4) 0.01689(16) Uani d . 1 . .
P P2 0.13731(2) 0.62587(7) 0.55082(4) 0.01746(16) Uani d . 1 . .
P P3 0.38729(2) 1.17626(7) 0.36161(3) 0.01611(16) Uani d . 1 . .
P P4 0.36696(2) 1.39929(6) 0.41338(3) 0.01524(16) Uani d . 1 . .
Cu Cu1 0.100094(10) 0.73598(3) 0.379185(16) 0.01957(9) Uani d . 1 . .
Cu Cu2 0.146373(10) 0.57985(3) 0.454134(17) 0.02096(9) Uani d . 1 . .
Cu Cu3 0.399626(10) 1.27059(3) 0.279511(17) 0.02037(9) Uani d . 1 . .
Cu Cu4 0.35753(10) 1.44018(3) 0.307264(16) 0.02030(9) Uani d . 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 P2 . 1.843(3) ?
C1 P1 . 1.843(3) ?
C1 H1A . 0.99 ?
C1 H1B . 0.99 ?
C2 C7 . 1.396(4) ?
C2 C3 . 1.408(4) ?
C2 P1 . 1.819(3) ?
C3 C4 . 1.391(4) ?
C3 N1 . 1.444(4) ?
C4 C5 . 1.383(5) ?
C4 H4A . 0.95 ?
C5 C6 . 1.371(5) ?
C5 H5A . 0.95 ?
C6 C7 . 1.392(4) ?
C6 H6 . 0.95 ?
C7 H7A . 0.95 ?
C8 N1 . 1.474(4) ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 N1 . 1.466(4) ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C11 . 1.397(4) ?
C10 C15 . 1.402(4) ?
C10 P1 . 1.809(3) ?
C11 C12 . 1.393(4) ?
C11 N2 . 1.470(4) ?
C12 C13 . 1.381(5) ?
C12 H12 . 0.95 ?
C13 C14 . 1.375(5) ?
C13 H13 . 0.95 ?
C14 C15 . 1.385(5) ?
C14 H14A . 0.95 ?
C15 H15 . 0.95 ?
C16 N2 . 1.493(4) ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 N2 . 1.480(4) ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 C23 . 1.396(4) ?
C18 C19 . 1.404(4) ?
C18 P2 . 1.819(3) ?
C19 C20 . 1.388(4) ?
C19 N3 . 1.465(4) ?
C20 C21 . 1.368(4) ?
C20 H20 . 0.95 ?
C21 C22 . 1.405(5) ?
C21 H21 . 0.95 ?
C22 C23 . 1.380(4) ?
C22 H22 . 0.95 ?
C23 H23 . 0.95 ?
C24 N3 . 1.475(4) ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 N3 . 1.479(4) ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 C27 . 1.396(4) ?
C26 C31 . 1.397(4) ?
C26 P2 . 1.823(3) ?
C27 C28 . 1.388(4) ?
C27 N4 . 1.449(4) ?
C28 C29 . 1.387(4) ?
C28 H28 . 0.95 ?
C29 C30 . 1.382(5) ?
C29 H29 . 0.95 ?
C30 C31 . 1.390(4) ?
C30 H30 . 0.95 ?
C31 H31 . 0.95 ?
C32 N4 . 1.471(5) ?
C32 H32A . 0.98 ?
C32 H32B . 0.98 ?
C32 H32C . 0.98 ?
C33 N4 . 1.460(5) ?
C33 H33A . 0.98 ?
C33 H33B . 0.98 ?
C33 H33C . 0.98 ?
C34 P3 . 1.838(3) ?
C34 P4 . 1.844(3) ?
C34 H34A . 0.99 ?
C34 H34B . 0.99 ?
C35 C40 . 1.399(4) ?
C35 C36 . 1.402(4) ?
C35 P3 . 1.819(3) ?
C36 C37 . 1.385(4) ?
C36 N6 . 1.455(4) ?
C37 C38 . 1.383(4) ?
C37 H37 . 0.95 ?
C38 C39 . 1.371(5) ?
C38 H38 . 0.95 ?
C39 C40 . 1.382(4) ?
C39 H39 . 0.95 ?
C40 H40 . 0.95 ?
C41 N6 . 1.468(4) ?
C41 H41A . 0.98 ?
C41 H41B . 0.98 ?
C41 H41C . 0.98 ?
C42 N6 . 1.464(4) ?
C42 H42A . 0.98 ?
C42 H42B . 0.98 ?
C42 H42C . 0.98 ?
C43 C48 . 1.394(4) ?
C43 C44 . 1.404(4) ?
C43 P3 . 1.816(3) ?
C44 C45 . 1.389(4) ?
C44 N5 . 1.464(4) ?
C45 C46 . 1.380(5) ?
C45 H45 . 0.95 ?
C46 C47 . 1.391(5) ?
C46 H46 . 0.95 ?
C47 C48 . 1.384(4) ?
C47 H47 . 0.95 ?
C48 H48 . 0.95 ?
C49 N5 . 1.488(4) ?
C49 H49A . 0.98 ?
C49 H49B . 0.98 ?
C49 H49C . 0.98 ?
C50 N5 . 1.483(4) ?
C50 H50A . 0.98 ?
C50 H50B . 0.98 ?
C50 H50C . 0.98 ?
C51 C52 . 1.390(4) ?
C51 C56 . 1.402(4) ?
C51 P4 . 1.824(3) ?
C52 C53 . 1.394(4) ?
C52 N7 . 1.465(3) ?
C53 C54 . 1.380(4) ?
C53 H53 . 0.95 ?
C54 C55 . 1.374(5) ?
C54 H54 . 0.95 ?
C55 C56 . 1.382(4) ?
C55 H55 . 0.95 ?
C56 H56 . 0.95 ?
C57 N7 . 1.481(4) ?
C57 H57A . 0.98 ?
C57 H57B . 0.98 ?
C57 H57C . 0.98 ?
C58 N7 . 1.471(4) ?
C58 H58A . 0.98 ?
C58 H58B . 0.98 ?
C58 H58C . 0.98 ?
C59 C60 . 1.391(4) ?
C59 C64 . 1.395(4) ?
C59 P4 . 1.817(3) ?
C60 C61 . 1.397(4) ?
C60 N8 . 1.448(4) ?
C61 C62 . 1.379(5) ?
C61 H61 . 0.95 ?
C62 C63 . 1.385(5) ?
C62 H62 . 0.95 ?
C63 C64 . 1.383(4) ?
C63 H63 . 0.95 ?
C64 H64 . 0.95 ?
C65 N8 . 1.466(4) ?
C65 H65A . 0.98 ?
C65 H65B . 0.98 ?
C65 H65C . 0.98 ?
C66 N8 . 1.460(4) ?
C66 H66A . 0.98 ?
C66 H66B . 0.98 ?
C66 H66C . 0.98 ?
C100 C101 . 1.421(5) ?
C100 H10A . 0.98 ?
C100 H10B . 0.98 ?
C100 H10C . 0.98 ?
C101 N100 . 1.145(4) ?
C200 C201 . 1.322(7) ?
C200 H20A . 0.98 ?
C200 H20B . 0.98 ?
C200 H20C . 0.98 ?
C201 N200 . 1.217(7) ?
N2 Cu1 . 2.204(2) ?
N3 Cu2 . 2.287(2) ?
N5 Cu3 . 2.206(3) ?
N7 Cu4 . 2.275(2) ?
B1 B4 . 1.697(5) ?
B1 B3 . 1.720(5) ?
B1 B5 . 1.721(5) ?
B1 B2 . 1.723(4) ?
B1 Cu1 . 2.234(4) ?
B1 Cu2 . 2.542(3) ?
B1 H1 . 1.12 ?
B2 B6 . 1.812(5) ?
B2 B7 . 1.817(5) ?
B2 B5 . 1.837(5) ?
B2 B3 . 1.874(5) ?
B2 Cu1 . 2.214(3) ?
B2 H2 . 1.12 ?
B3 B8 . 1.787(5) ?
B3 B7 . 1.810(4) ?
B3 B4 . 1.819(5) ?
B3 Cu2 . 2.201(3) ?
B3 H3 . 1.12 ?
B4 B5 . 1.819(5) ?
B4 B8 . 1.823(5) ?
B4 B9 . 1.824(5) ?
B4 H4 . 1.12 ?
B5 B9 . 1.789(5) ?
B5 B6 . 1.804(5) ?
B5 H5 . 1.12 ?
B6 B10 . 1.695(6) ?
B6 B9 . 1.820(6) ?
B6 B7 . 1.860(5) ?
B6 H6A . 1.12 ?
B7 B10 . 1.706(5) ?
B7 B8 . 1.844(5) ?
B7 H7 . 1.12 ?
B8 B10 . 1.698(5) ?
B8 B9 . 1.836(5) ?
B8 H8 . 1.12 ?
B9 B10 . 1.701(5) ?
B9 H9 . 1.12 ?
B10 H10 . 1.12 ?
B11 B12 . 1.709(5) ?
B11 B14 . 1.709(5) ?
B11 B15 . 1.720(4) ?
B11 B13 . 1.720(5) ?
B11 Cu3 . 2.227(4) ?
B11 Cu4 . 2.541(3) ?
B11 H11 . 1.12 ?
B12 B16 . 1.803(5) ?
B12 B17 . 1.816(5) ?
B12 B15 . 1.829(5) ?
B12 B13 . 1.868(5) ?
B12 Cu3 . 2.217(4) ?
B12 H12A . 1.12 ?
B13 B18 . 1.789(5) ?
B13 B17 . 1.810(5) ?
B13 B14 . 1.812(5) ?
B13 Cu4 . 2.187(3) ?
B13 H13A . 1.12 ?
B14 B18 . 1.816(5) ?
B14 B19 . 1.822(5) ?
B14 B15 . 1.831(5) ?
B14 H14 . 1.12 ?
B15 B19 . 1.791(5) ?
B15 B16 . 1.801(6) ?
B15 H15A . 1.12 ?
B16 B20 . 1.686(6) ?
B16 B19 . 1.818(6) ?
B16 B17 . 1.850(5) ?
B16 H16 . 1.12 ?
B17 B20 . 1.697(5) ?
B17 B18 . 1.840(6) ?
B17 H17 . 1.12 ?
B18 B20 . 1.700(5) ?
B18 B19 . 1.838(5) ?
B18 H18 . 1.12 ?
B19 B20 . 1.694(6) ?
B19 H19 . 1.12 ?
B20 H20D . 1.12 ?
P1 Cu1 . 2.1853(8) ?
P2 Cu2 . 2.1980(8) ?
P3 Cu3 . 2.1865(8) ?
P4 Cu4 . 2.1931(8) ?
Cu1 Cu2 . 2.6631(5) ?
Cu3 Cu4 . 2.6621(5) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P2 C1 P1 . . 109.65(13) ?
P2 C1 H1A . . 109.7 ?
P1 C1 H1A . . 109.7 ?
P2 C1 H1B . . 109.7 ?
P1 C1 H1B . . 109.7 ?
H1A C1 H1B . . 108.2 ?
C7 C2 C3 . . 119.1(3) ?
C7 C2 P1 . . 123.1(2) ?
C3 C2 P1 . . 117.2(2) ?
C4 C3 C2 . . 119.4(3) ?
C4 C3 N1 . . 122.1(3) ?
C2 C3 N1 . . 118.5(3) ?
C5 C4 C3 . . 120.4(3) ?
C5 C4 H4A . . 119.8 ?
C3 C4 H4A . . 119.8 ?
C6 C5 C4 . . 120.5(3) ?
C6 C5 H5A . . 119.8 ?
C4 C5 H5A . . 119.8 ?
C5 C6 C7 . . 120.1(3) ?
C5 C6 H6 . . 119.9 ?
C7 C6 H6 . . 119.9 ?
C6 C7 C2 . . 120.2(3) ?
C6 C7 H7A . . 119.9 ?
C2 C7 H7A . . 119.9 ?
N1 C8 H8A . . 109.5 ?
N1 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
N1 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
N1 C9 H9A . . 109.5 ?
N1 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
N1 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C11 C10 C15 . . 119.8(3) ?
C11 C10 P1 . . 118.6(2) ?
C15 C10 P1 . . 121.5(2) ?
C12 C11 C10 . . 119.2(3) ?
C12 C11 N2 . . 120.7(3) ?
C10 C11 N2 . . 120.1(3) ?
C13 C12 C11 . . 120.3(3) ?
C13 C12 H12 . . 119.9 ?
C11 C12 H12 . . 119.9 ?
C14 C13 C12 . . 120.9(3) ?
C14 C13 H13 . . 119.6 ?
C12 C13 H13 . . 119.6 ?
C13 C14 C15 . . 119.8(3) ?
C13 C14 H14A . . 120.1 ?
C15 C14 H14A . . 120.1 ?
C14 C15 C10 . . 120.0(3) ?
C14 C15 H15 . . 120.0 ?
C10 C15 H15 . . 120.0 ?
N2 C16 H16A . . 109.5 ?
N2 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
N2 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
N2 C17 H17A . . 109.5 ?
N2 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
N2 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C23 C18 C19 . . 119.1(3) ?
C23 C18 P2 . . 121.7(2) ?
C19 C18 P2 . . 119.0(2) ?
C20 C19 C18 . . 119.5(3) ?
C20 C19 N3 . . 121.1(2) ?
C18 C19 N3 . . 119.4(3) ?
C21 C20 C19 . . 121.0(3) ?
C21 C20 H20 . . 119.5 ?
C19 C20 H20 . . 119.5 ?
C20 C21 C22 . . 120.1(3) ?
C20 C21 H21 . . 119.9 ?
C22 C21 H21 . . 119.9 ?
C23 C22 C21 . . 119.3(3) ?
C23 C22 H22 . . 120.3 ?
C21 C22 H22 . . 120.3 ?
C22 C23 C18 . . 120.9(3) ?
C22 C23 H23 . . 119.6 ?
C18 C23 H23 . . 119.6 ?
N3 C24 H24A . . 109.5 ?
N3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
N3 C25 H25A . . 109.5 ?
N3 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
N3 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C27 C26 C31 . . 119.1(3) ?
C27 C26 P2 . . 116.8(2) ?
C31 C26 P2 . . 123.6(2) ?
C28 C27 C26 . . 120.5(3) ?
C28 C27 N4 . . 122.3(3) ?
C26 C27 N4 . . 117.2(3) ?
C29 C28 C27 . . 120.1(3) ?
C29 C28 H28 . . 120.0 ?
C27 C28 H28 . . 120.0 ?
C30 C29 C28 . . 119.8(3) ?
C30 C29 H29 . . 120.1 ?
C28 C29 H29 . . 120.1 ?
C29 C30 C31 . . 120.5(3) ?
C29 C30 H30 . . 119.7 ?
C31 C30 H30 . . 119.7 ?
C30 C31 C26 . . 120.0(3) ?
C30 C31 H31 . . 120.0 ?
C26 C31 H31 . . 120.0 ?
N4 C32 H32A . . 109.5 ?
N4 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
N4 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
N4 C33 H33A . . 109.5 ?
N4 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
N4 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
P3 C34 P4 . . 109.13(14) ?
P3 C34 H34A . . 109.9 ?
P4 C34 H34A . . 109.9 ?
P3 C34 H34B . . 109.9 ?
P4 C34 H34B . . 109.9 ?
H34A C34 H34B . . 108.3 ?
C40 C35 C36 . . 119.0(3) ?
C40 C35 P3 . . 123.3(2) ?
C36 C35 P3 . . 117.4(2) ?
C37 C36 C35 . . 119.4(3) ?
C37 C36 N6 . . 122.2(3) ?
C35 C36 N6 . . 118.4(3) ?
C38 C37 C36 . . 120.6(3) ?
C38 C37 H37 . . 119.7 ?
C36 C37 H37 . . 119.7 ?
C39 C38 C37 . . 120.3(3) ?
C39 C38 H38 . . 119.9 ?
C37 C38 H38 . . 119.9 ?
C38 C39 C40 . . 120.1(3) ?
C38 C39 H39 . . 119.9 ?
C40 C39 H39 . . 119.9 ?
C39 C40 C35 . . 120.4(3) ?
C39 C40 H40 . . 119.8 ?
C35 C40 H40 . . 119.8 ?
N6 C41 H41A . . 109.5 ?
N6 C41 H41B . . 109.5 ?
H41A C41 H41B . . 109.5 ?
N6 C41 H41C . . 109.5 ?
H41A C41 H41C . . 109.5 ?
H41B C41 H41C . . 109.5 ?
N6 C42 H42A . . 109.5 ?
N6 C42 H42B . . 109.5 ?
H42A C42 H42B . . 109.5 ?
N6 C42 H42C . . 109.5 ?
H42A C42 H42C . . 109.5 ?
H42B C42 H42C . . 109.5 ?
C48 C43 C44 . . 120.2(3) ?
C48 C43 P3 . . 121.9(2) ?
C44 C43 P3 . . 117.9(2) ?
C45 C44 C43 . . 118.5(3) ?
C45 C44 N5 . . 121.1(3) ?
C43 C44 N5 . . 120.4(3) ?
C46 C45 C44 . . 121.0(3) ?
C46 C45 H45 . . 119.5 ?
C44 C45 H45 . . 119.5 ?
C45 C46 C47 . . 120.6(3) ?
C45 C46 H46 . . 119.7 ?
C47 C46 H46 . . 119.7 ?
C48 C47 C46 . . 119.2(3) ?
C48 C47 H47 . . 120.4 ?
C46 C47 H47 . . 120.4 ?
C47 C48 C43 . . 120.5(3) ?
C47 C48 H48 . . 119.8 ?
C43 C48 H48 . . 119.8 ?
N5 C49 H49A . . 109.5 ?
N5 C49 H49B . . 109.5 ?
H49A C49 H49B . . 109.5 ?
N5 C49 H49C . . 109.5 ?
H49A C49 H49C . . 109.5 ?
H49B C49 H49C . . 109.5 ?
N5 C50 H50A . . 109.5 ?
N5 C50 H50B . . 109.5 ?
H50A C50 H50B . . 109.5 ?
N5 C50 H50C . . 109.5 ?
H50A C50 H50C . . 109.5 ?
H50B C50 H50C . . 109.5 ?
C52 C51 C56 . . 119.6(3) ?
C52 C51 P4 . . 119.6(2) ?
C56 C51 P4 . . 120.8(2) ?
C51 C52 C53 . . 119.7(3) ?
C51 C52 N7 . . 119.9(2) ?
C53 C52 N7 . . 120.4(3) ?
C54 C53 C52 . . 119.8(3) ?
C54 C53 H53 . . 120.1 ?
C52 C53 H53 . . 120.1 ?
C55 C54 C53 . . 121.0(3) ?
C55 C54 H54 . . 119.5 ?
C53 C54 H54 . . 119.5 ?
C54 C55 C56 . . 119.8(3) ?
C54 C55 H55 . . 120.1 ?
C56 C55 H55 . . 120.1 ?
C55 C56 C51 . . 120.1(3) ?
C55 C56 H56 . . 119.9 ?
C51 C56 H56 . . 119.9 ?
N7 C57 H57A . . 109.5 ?
N7 C57 H57B . . 109.5 ?
H57A C57 H57B . . 109.5 ?
N7 C57 H57C . . 109.5 ?
H57A C57 H57C . . 109.5 ?
H57B C57 H57C . . 109.5 ?
N7 C58 H58A . . 109.5 ?
N7 C58 H58B . . 109.5 ?
H58A C58 H58B . . 109.5 ?
N7 C58 H58C . . 109.5 ?
H58A C58 H58C . . 109.5 ?
H58B C58 H58C . . 109.5 ?
C60 C59 C64 . . 119.1(3) ?
C60 C59 P4 . . 116.6(2) ?
C64 C59 P4 . . 124.3(2) ?
C59 C60 C61 . . 120.2(3) ?
C59 C60 N8 . . 118.2(3) ?
C61 C60 N8 . . 121.6(3) ?
C62 C61 C60 . . 120.2(3) ?
C62 C61 H61 . . 119.9 ?
C60 C61 H61 . . 119.9 ?
C61 C62 C63 . . 119.7(3) ?
C61 C62 H62 . . 120.2 ?
C63 C62 H62 . . 120.2 ?
C64 C63 C62 . . 120.5(3) ?
C64 C63 H63 . . 119.7 ?
C62 C63 H63 . . 119.7 ?
C63 C64 C59 . . 120.3(3) ?
C63 C64 H64 . . 119.9 ?
C59 C64 H64 . . 119.9 ?
N8 C65 H65A . . 109.5 ?
N8 C65 H65B . . 109.5 ?
H65A C65 H65B . . 109.5 ?
N8 C65 H65C . . 109.5 ?
H65A C65 H65C . . 109.5 ?
H65B C65 H65C . . 109.5 ?
N8 C66 H66A . . 109.5 ?
N8 C66 H66B . . 109.5 ?
H66A C66 H66B . . 109.5 ?
N8 C66 H66C . . 109.5 ?
H66A C66 H66C . . 109.5 ?
H66B C66 H66C . . 109.5 ?
C101 C100 H10A . . 109.5 ?
C101 C100 H10B . . 109.5 ?
H10A C100 H10B . . 109.5 ?
C101 C100 H10C . . 109.5 ?
H10A C100 H10C . . 109.5 ?
H10B C100 H10C . . 109.5 ?
N100 C101 C100 . . 179.5(5) ?
C201 C200 H20A . . 109.5 ?
C201 C200 H20B . . 109.5 ?
H20A C200 H20B . . 109.5 ?
C201 C200 H20C . . 109.5 ?
H20A C200 H20C . . 109.5 ?
H20B C200 H20C . . 109.5 ?
N200 C201 C200 . . 172.1(7) ?
C3 N1 C9 . . 113.6(2) ?
C3 N1 C8 . . 110.0(2) ?
C9 N1 C8 . . 110.7(2) ?
C11 N2 C17 . . 109.6(2) ?
C11 N2 C16 . . 110.7(2) ?
C17 N2 C16 . . 109.1(2) ?
C11 N2 Cu1 . . 111.88(18) ?
C17 N2 Cu1 . . 110.9(2) ?
C16 N2 Cu1 . . 104.62(18) ?
C19 N3 C24 . . 108.4(2) ?
C19 N3 C25 . . 111.6(2) ?
C24 N3 C25 . . 110.2(2) ?
C19 N3 Cu2 . . 112.84(16) ?
C24 N3 Cu2 . . 102.28(18) ?
C25 N3 Cu2 . . 111.14(18) ?
C27 N4 C33 . . 111.8(3) ?
C27 N4 C32 . . 110.3(3) ?
C33 N4 C32 . . 112.4(3) ?
C44 N5 C50 . . 109.5(3) ?
C44 N5 C49 . . 110.7(2) ?
C50 N5 C49 . . 108.9(2) ?
C44 N5 Cu3 . . 112.31(16) ?
C50 N5 Cu3 . . 110.6(2) ?
C49 N5 Cu3 . . 104.8(2) ?
C36 N6 C42 . . 113.3(3) ?
C36 N6 C41 . . 110.6(2) ?
C42 N6 C41 . . 110.7(3) ?
C52 N7 C58 . . 111.2(2) ?
C52 N7 C57 . . 109.6(2) ?
C58 N7 C57 . . 108.7(2) ?
C52 N7 Cu4 . . 112.02(17) ?
C58 N7 Cu4 . . 111.46(18) ?
C57 N7 Cu4 . . 103.44(17) ?
C60 N8 C66 . . 112.3(2) ?
C60 N8 C65 . . 111.3(2) ?
C66 N8 C65 . . 110.5(3) ?
B4 B1 B3 . . 64.3(2) ?
B4 B1 B5 . . 64.3(2) ?
B3 B1 B5 . . 97.9(2) ?
B4 B1 B2 . . 99.0(2) ?
B3 B1 B2 . . 65.9(2) ?
B5 B1 B2 . . 64.4(2) ?
B4 B1 Cu1 . . 165.2(2) ?
B3 B1 Cu1 . . 109.9(2) ?
B5 B1 Cu1 . . 104.6(2) ?
B2 B1 Cu1 . . 66.60(17) ?
B4 B1 Cu2 . . 115.7(2) ?
B3 B1 Cu2 . . 58.46(15) ?
B5 B1 Cu2 . . 146.4(2) ?
B2 B1 Cu2 . . 83.14(17) ?
Cu1 B1 Cu2 . . 67.44(9) ?
B4 B1 H1 . . 108.5 ?
B3 B1 H1 . . 125.5 ?
B5 B1 H1 . . 129.0 ?
B2 B1 H1 . . 152.5 ?
Cu1 B1 H1 . . 86.0 ?
Cu2 B1 H1 . . 84.1 ?
B1 B2 B6 . . 112.6(3) ?
B1 B2 B7 . . 111.9(3) ?
B6 B2 B7 . . 61.7(2) ?
B1 B2 B5 . . 57.73(18) ?
B6 B2 B5 . . 59.26(19) ?
B7 B2 B5 . . 102.1(2) ?
B1 B2 B3 . . 56.93(18) ?
B6 B2 B3 . . 101.2(2) ?
B7 B2 B3 . . 58.73(18) ?
B5 B2 B3 . . 88.8(2) ?
B1 B2 Cu1 . . 67.81(15) ?
B6 B2 Cu1 . . 147.1(2) ?
B7 B2 Cu1 . . 150.8(2) ?
B5 B2 Cu1 . . 101.49(18) ?
B3 B2 Cu1 . . 104.99(17) ?
B1 B2 H2 . . 118.1 ?
B6 B2 H2 . . 120.1 ?
B7 B2 H2 . . 120.2 ?
B5 B2 H2 . . 131.4 ?
B3 B2 H2 . . 132.3 ?
Cu1 B2 H2 . . 50.3 ?
B1 B3 B8 . . 113.3(2) ?
B1 B3 B7 . . 112.4(3) ?
B8 B3 B7 . . 61.66(19) ?
B1 B3 B4 . . 57.23(19) ?
B8 B3 B4 . . 60.72(19) ?
B7 B3 B4 . . 103.4(2) ?
B1 B3 B2 . . 57.12(18) ?
B8 B3 B2 . . 101.9(2) ?
B7 B3 B2 . . 59.06(18) ?
B4 B3 B2 . . 89.5(2) ?
B1 B3 Cu2 . . 79.79(17) ?
B8 B3 Cu2 . . 165.6(2) ?
B7 B3 Cu2 . . 120.4(2) ?
B4 B3 Cu2 . . 127.99(19) ?
B2 B3 Cu2 . . 90.19(17) ?
B1 B3 H3 . . 118.1 ?
B8 B3 H3 . . 119.4 ?
B7 B3 H3 . . 119.7 ?
B4 B3 H3 . . 130.6 ?
B2 B3 H3 . . 132.0 ?
Cu2 B3 H3 . . 46.4 ?
B1 B4 B5 . . 58.50(19) ?
B1 B4 B3 . . 58.43(19) ?
B5 B4 B3 . . 91.0(2) ?
B1 B4 B8 . . 112.6(3) ?
B5 B4 B8 . . 101.5(2) ?
B3 B4 B8 . . 58.77(18) ?
B1 B4 B9 . . 112.7(3) ?
B5 B4 B9 . . 58.8(2) ?
B3 B4 B9 . . 101.6(2) ?
B8 B4 B9 . . 60.45(19) ?
B1 B4 H4 . . 117.2 ?
B5 B4 H4 . . 130.8 ?
B3 B4 H4 . . 130.8 ?
B8 B4 H4 . . 120.8 ?
B9 B4 H4 . . 120.7 ?
B1 B5 B9 . . 113.3(3) ?
B1 B5 B6 . . 113.1(2) ?
B9 B5 B6 . . 60.9(2) ?
B1 B5 B4 . . 57.20(19) ?
B9 B5 B4 . . 60.7(2) ?
B6 B5 B4 . . 103.2(2) ?
B1 B5 B2 . . 57.83(18) ?
B9 B5 B2 . . 102.6(2) ?
B6 B5 B2 . . 59.68(18) ?
B4 B5 B2 . . 90.7(2) ?
B1 B5 H5 . . 117.8 ?
B9 B5 H5 . . 119.6 ?
B6 B5 H5 . . 119.8 ?
B4 B5 H5 . . 130.4 ?
B2 B5 H5 . . 130.9 ?
B10 B6 B5 . . 112.1(3) ?
B10 B6 B2 . . 112.1(3) ?
B5 B6 B2 . . 61.06(18) ?
B10 B6 B9 . . 57.7(2) ?
B5 B6 B9 . . 59.2(2) ?
B2 B6 B9 . . 102.4(2) ?
B10 B6 B7 . . 57.1(2) ?
B5 B6 B7 . . 101.7(2) ?
B2 B6 B7 . . 59.30(19) ?
B9 B6 B7 . . 90.2(2) ?
B10 B6 H6A . . 118.3 ?
B5 B6 H6A . . 120.5 ?
B2 B6 H6A . . 120.1 ?
B9 B6 H6A . . 130.8 ?
B7 B6 H6A . . 131.3 ?
B10 B7 B3 . . 111.1(3) ?
B10 B7 B2 . . 111.3(3) ?
B3 B7 B2 . . 62.21(18) ?
B10 B7 B8 . . 57.0(2) ?
B3 B7 B8 . . 58.55(18) ?
B2 B7 B8 . . 102.0(2) ?
B10 B7 B6 . . 56.6(2) ?
B3 B7 B6 . . 101.8(2) ?
B2 B7 B6 . . 59.04(19) ?
B8 B7 B6 . . 89.1(2) ?
B10 B7 H7 . . 119.1 ?
B3 B7 H7 . . 120.3 ?
B2 B7 H7 . . 120.0 ?
B8 B7 H7 . . 131.7 ?
B6 B7 H7 . . 131.7 ?
B10 B8 B3 . . 112.6(3) ?
B10 B8 B4 . . 112.5(3) ?
B3 B8 B4 . . 60.51(19) ?
B10 B8 B9 . . 57.4(2) ?
B3 B8 B9 . . 102.3(2) ?
B4 B8 B9 . . 59.80(19) ?
B10 B8 B7 . . 57.4(2) ?
B3 B8 B7 . . 59.79(18) ?
B4 B8 B7 . . 102.0(2) ?
B9 B8 B7 . . 90.2(2) ?
B10 B8 H8 . . 118.0 ?
B3 B8 H8 . . 120.1 ?
B4 B8 H8 . . 120.3 ?
B9 B8 H8 . . 130.9 ?
B7 B8 H8 . . 131.1 ?
B10 B9 B5 . . 112.5(3) ?
B10 B9 B6 . . 57.4(2) ?
B5 B9 B6 . . 60.0(2) ?
B10 B9 B4 . . 112.3(3) ?
B5 B9 B4 . . 60.5(2) ?
B6 B9 B4 . . 102.4(2) ?
B10 B9 B8 . . 57.2(2) ?
B5 B9 B8 . . 102.2(2) ?
B6 B9 B8 . . 90.5(2) ?
B4 B9 B8 . . 59.75(18) ?
B10 B9 H9 . . 118.2 ?
B5 B9 H9 . . 120.2 ?
B6 B9 H9 . . 130.6 ?
B4 B9 H9 . . 120.2 ?
B8 B9 H9 . . 130.9 ?
B6 B10 B8 . . 99.9(2) ?
B6 B10 B9 . . 64.8(2) ?
B8 B10 B9 . . 65.4(2) ?
B6 B10 B7 . . 66.3(2) ?
B8 B10 B7 . . 65.6(2) ?
B9 B10 B7 . . 99.8(2) ?
B6 B10 H10 . . 130.0 ?
B8 B10 H10 . . 130.1 ?
B9 B10 H10 . . 130.5 ?
B7 B10 H10 . . 129.7 ?
B12 B11 B14 . . 98.7(2) ?
B12 B11 B15 . . 64.5(2) ?
B14 B11 B15 . . 64.5(2) ?
B12 B11 B13 . . 66.0(2) ?
B14 B11 B13 . . 63.8(2) ?
B15 B11 B13 . . 98.1(2) ?
B12 B11 Cu3 . . 67.07(17) ?
B14 B11 Cu3 . . 165.5(2) ?
B15 B11 Cu3 . . 105.2(2) ?
B13 B11 Cu3 . . 109.89(19) ?
B12 B11 Cu4 . . 83.22(16) ?
B14 B11 Cu4 . . 114.7(2) ?
B15 B11 Cu4 . . 146.4(2) ?
B13 B11 Cu4 . . 57.98(14) ?
Cu3 B11 Cu4 . . 67.51(8) ?
B12 B11 H11 . . 152.6 ?
B14 B11 H11 . . 108.8 ?
B15 B11 H11 . . 128.6 ?
B13 B11 H11 . . 125.8 ?
Cu3 B11 H11 . . 85.6 ?
Cu4 B11 H11 . . 84.6 ?
B11 B12 B16 . . 113.1(3) ?
B11 B12 B17 . . 112.4(3) ?
B16 B12 B17 . . 61.5(2) ?
B11 B12 B15 . . 58.07(19) ?
B16 B12 B15 . . 59.5(2) ?
B17 B12 B15 . . 102.3(2) ?
B11 B12 B13 . . 57.3(2) ?
B16 B12 B13 . . 101.5(2) ?
B17 B12 B13 . . 58.8(2) ?
B15 B12 B13 . . 89.3(2) ?
B11 B12 Cu3 . . 67.70(17) ?
B16 B12 Cu3 . . 147.5(2) ?
B17 B12 Cu3 . . 150.4(2) ?
B15 B12 Cu3 . . 101.9(2) ?
B13 B12 Cu3 . . 104.82(18) ?
B11 B12 H12A . . 117.7 ?
B16 B12 H12A . . 119.9 ?
B17 B12 H12A . . 120.1 ?
B15 B12 H12A . . 131.1 ?
B13 B12 H12A . . 132.1 ?
Cu3 B12 H12A . . 50.0 ?
B11 B13 B18 . . 113.6(2) ?
B11 B13 B17 . . 112.1(3) ?
B18 B13 B17 . . 61.5(2) ?
B11 B13 B14 . . 57.79(19) ?
B18 B13 B14 . . 60.57(19) ?
B17 B13 B14 . . 103.2(2) ?
B11 B13 B12 . . 56.69(19) ?
B18 B13 B12 . . 101.9(2) ?
B17 B13 B12 . . 59.1(2) ?
B14 B13 B12 . . 89.5(2) ?
B11 B13 Cu4 . . 80.18(17) ?
B18 B13 Cu4 . . 165.0(2) ?
B17 B13 Cu4 . . 120.4(2) ?
B14 B13 Cu4 . . 128.6(2) ?
B12 B13 Cu4 . . 90.56(17) ?
B11 B13 H13A . . 118.0 ?
B18 B13 H13A . . 119.3 ?
B17 B13 H13A . . 119.9 ?
B14 B13 H13A . . 130.5 ?
B12 B13 H13A . . 132.1 ?
Cu4 B13 H13A . . 45.9 ?
B11 B14 B13 . . 58.41(19) ?
B11 B14 B18 . . 112.8(2) ?
B13 B14 B18 . . 59.09(19) ?
B11 B14 B19 . . 112.2(3) ?
B13 B14 B19 . . 101.8(2) ?
B18 B14 B19 . . 60.7(2) ?
B11 B14 B15 . . 58.03(19) ?
B13 B14 B15 . . 91.0(2) ?
B18 B14 B15 . . 101.8(2) ?
B19 B14 B15 . . 58.7(2) ?
B11 B14 H14 . . 117.5 ?
B13 B14 H14 . . 130.7 ?
B18 B14 H14 . . 120.4 ?
B19 B14 H14 . . 120.8 ?
B15 B14 H14 . . 131.0 ?
B11 B15 B19 . . 113.2(3) ?
B11 B15 B16 . . 112.6(2) ?
B19 B15 B16 . . 60.8(2) ?
B11 B15 B12 . . 57.47(18) ?
B19 B15 B12 . . 102.3(3) ?
B16 B15 B12 . . 59.54(19) ?
B11 B15 B14 . . 57.43(19) ?
B19 B15 B14 . . 60.4(2) ?
B16 B15 B14 . . 102.7(3) ?
B12 B15 B14 . . 90.2(2) ?
B11 B15 H15A . . 117.9 ?
B19 B15 H15A . . 119.7 ?
B16 B15 H15A . . 120.1 ?
B12 B15 H15A . . 131.2 ?
B14 B15 H15A . . 130.7 ?
B20 B16 B15 . . 112.3(3) ?
B20 B16 B12 . . 112.3(3) ?
B15 B16 B12 . . 60.97(19) ?
B20 B16 B19 . . 57.7(2) ?
B15 B16 B19 . . 59.3(2) ?
B12 B16 B19 . . 102.3(2) ?
B20 B16 B17 . . 57.1(2) ?
B15 B16 B17 . . 102.0(2) ?
B12 B16 B17 . . 59.6(2) ?
B19 B16 B17 . . 90.1(2) ?
B20 B16 H16 . . 118.2 ?
B15 B16 H16 . . 120.3 ?
B12 B16 H16 . . 120.1 ?
B19 B16 H16 . . 131.0 ?
B17 B16 H16 . . 131.2 ?
B20 B17 B13 . . 111.4(3) ?
B20 B17 B12 . . 111.1(3) ?
B13 B17 B12 . . 62.0(2) ?
B20 B17 B18 . . 57.3(2) ?
B13 B17 B18 . . 58.69(19) ?
B12 B17 B18 . . 102.0(2) ?
B20 B17 B16 . . 56.6(2) ?
B13 B17 B16 . . 101.9(2) ?
B12 B17 B16 . . 58.9(2) ?
B18 B17 B16 . . 89.5(2) ?
B20 B17 H17 . . 119.0 ?
B13 B17 H17 . . 120.2 ?
B12 B17 H17 . . 120.2 ?
B18 B17 H17 . . 131.4 ?
B16 B17 H17 . . 131.6 ?
B20 B18 B13 . . 112.3(3) ?
B20 B18 B14 . . 112.1(3) ?
B13 B18 B14 . . 60.34(19) ?
B20 B18 B19 . . 57.0(2) ?
B13 B18 B19 . . 102.1(3) ?
B14 B18 B19 . . 59.8(2) ?
B20 B18 B17 . . 57.1(2) ?
B13 B18 B17 . . 59.84(19) ?
B14 B18 B17 . . 101.9(3) ?
B19 B18 B17 . . 89.9(2) ?
B20 B18 H18 . . 118.4 ?
B13 B18 H18 . . 120.2 ?
B14 B18 H18 . . 120.4 ?
B19 B18 H18 . . 131.1 ?
B17 B18 H18 . . 131.1 ?
B20 B19 B15 . . 112.4(3) ?
B20 B19 B16 . . 57.2(2) ?
B15 B19 B16 . . 59.9(2) ?
B20 B19 B14 . . 112.1(2) ?
B15 B19 B14 . . 60.9(2) ?
B16 B19 B14 . . 102.4(2) ?
B20 B19 B18 . . 57.4(2) ?
B15 B19 B18 . . 102.5(2) ?
B16 B19 B18 . . 90.5(2) ?
B14 B19 B18 . . 59.49(19) ?
B20 B19 H19 . . 118.3 ?
B15 B19 H19 . . 120.0 ?
B16 B19 H19 . . 130.8 ?
B14 B19 H19 . . 120.3 ?
B18 B19 H19 . . 130.9 ?
B16 B20 B19 . . 65.1(2) ?
B16 B20 B17 . . 66.3(2) ?
B19 B20 B17 . . 100.0(3) ?
B16 B20 B18 . . 100.2(3) ?
B19 B20 B18 . . 65.6(2) ?
B17 B20 B18 . . 65.6(2) ?
B16 B20 H20D . . 129.9 ?
B19 B20 H20D . . 130.3 ?
B17 B20 H20D . . 129.7 ?
B18 B20 H20D . . 130.0 ?
C10 P1 C2 . . 104.60(13) ?
C10 P1 C1 . . 103.63(12) ?
C2 P1 C1 . . 108.12(13) ?
C10 P1 Cu1 . . 102.00(10) ?
C2 P1 Cu1 . . 123.20(9) ?
C1 P1 Cu1 . . 112.92(10) ?
C18 P2 C26 . . 106.15(13) ?
C18 P2 C1 . . 103.22(14) ?
C26 P2 C1 . . 104.98(13) ?
C18 P2 Cu2 . . 103.66(9) ?
C26 P2 Cu2 . . 125.59(10) ?
C1 P2 Cu2 . . 111.06(9) ?
C43 P3 C35 . . 104.38(14) ?
C43 P3 C34 . . 103.41(13) ?
C35 P3 C34 . . 107.62(13) ?
C43 P3 Cu3 . . 102.43(10) ?
C35 P3 Cu3 . . 123.98(10) ?
C34 P3 Cu3 . . 112.58(10) ?
C59 P4 C51 . . 104.22(12) ?
C59 P4 C34 . . 105.05(13) ?
C51 P4 C34 . . 103.44(13) ?
C59 P4 Cu4 . . 126.71(9) ?
C51 P4 Cu4 . . 102.63(10) ?
C34 P4 Cu4 . . 112.19(8) ?
P1 Cu1 N2 . . 86.99(7) ?
P1 Cu1 B2 . . 146.99(9) ?
N2 Cu1 B2 . . 123.18(11) ?
P1 Cu1 B1 . . 141.71(9) ?
N2 Cu1 B1 . . 110.18(11) ?
B2 Cu1 B1 . . 45.59(12) ?
P1 Cu1 Cu2 . . 86.79(2) ?
N2 Cu1 Cu2 . . 152.11(6) ?
B2 Cu1 Cu2 . . 72.17(9) ?
B1 Cu1 Cu2 . . 61.80(9) ?
P2 Cu2 B3 . . 160.12(9) ?
P2 Cu2 N3 . . 84.77(6) ?
B3 Cu2 N3 . . 113.24(10) ?
P2 Cu2 B1 . . 126.07(8) ?
B3 Cu2 B1 . . 41.75(12) ?
N3 Cu2 B1 . . 143.43(9) ?
P2 Cu2 Cu1 . . 97.92(2) ?
B3 Cu2 Cu1 . . 83.25(10) ?
N3 Cu2 Cu1 . . 112.59(6) ?
B1 Cu2 Cu1 . . 50.76(8) ?
P3 Cu3 N5 . . 86.62(7) ?
P3 Cu3 B12 . . 147.23(9) ?
N5 Cu3 B12 . . 123.48(11) ?
P3 Cu3 B11 . . 142.46(9) ?
N5 Cu3 B11 . . 109.52(11) ?
B12 Cu3 B11 . . 45.23(13) ?
P3 Cu3 Cu4 . . 87.38(2) ?
N5 Cu3 Cu4 . . 151.08(7) ?
B12 Cu3 Cu4 . . 71.99(9) ?
B11 Cu3 Cu4 . . 61.88(8) ?
B13 Cu4 P4 . . 160.08(9) ?
B13 Cu4 N7 . . 112.50(11) ?
P4 Cu4 N7 . . 85.68(6) ?
B13 Cu4 B11 . . 41.84(12) ?
P4 Cu4 B11 . . 125.44(8) ?
N7 Cu4 B11 . . 143.55(10) ?
B13 Cu4 Cu3 . . 83.37(9) ?
P4 Cu4 Cu3 . . 96.94(2) ?
N7 Cu4 Cu3 . . 114.03(6) ?
B11 Cu4 Cu3 . . 50.61(8) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C7 C2 C3 C4 . . . . 5.6(4) ?
P1 C2 C3 C4 . . . . -166.7(2) ?
C7 C2 C3 N1 . . . . -173.6(3) ?
P1 C2 C3 N1 . . . . 14.2(3) ?
C2 C3 C4 C5 . . . . -1.7(5) ?
N1 C3 C4 C5 . . . . 177.5(3) ?
C3 C4 C5 C6 . . . . -3.4(5) ?
C4 C5 C6 C7 . . . . 4.4(5) ?
C5 C6 C7 C2 . . . . -0.3(5) ?
C3 C2 C7 C6 . . . . -4.6(4) ?
P1 C2 C7 C6 . . . . 167.1(2) ?
C15 C10 C11 C12 . . . . 1.0(4) ?
P1 C10 C11 C12 . . . . -176.2(2) ?
C15 C10 C11 N2 . . . . -178.5(2) ?
P1 C10 C11 N2 . . . . 4.3(4) ?
C10 C11 C12 C13 . . . . -0.2(5) ?
N2 C11 C12 C13 . . . . 179.3(3) ?
C11 C12 C13 C14 . . . . -1.1(5) ?
C12 C13 C14 C15 . . . . 1.5(5) ?
C13 C14 C15 C10 . . . . -0.7(5) ?
C11 C10 C15 C14 . . . . -0.6(4) ?
P1 C10 C15 C14 . . . . 176.6(2) ?
C23 C18 C19 C20 . . . . 0.2(4) ?
P2 C18 C19 C20 . . . . 175.9(2) ?
C23 C18 C19 N3 . . . . 179.1(3) ?
P2 C18 C19 N3 . . . . -5.3(4) ?
C18 C19 C20 C21 . . . . -0.9(5) ?
N3 C19 C20 C21 . . . . -179.7(3) ?
C19 C20 C21 C22 . . . . 0.7(5) ?
C20 C21 C22 C23 . . . . 0.3(5) ?
C21 C22 C23 C18 . . . . -1.0(5) ?
C19 C18 C23 C22 . . . . 0.7(5) ?
P2 C18 C23 C22 . . . . -174.8(2) ?
C31 C26 C27 C28 . . . . 0.0(5) ?
P2 C26 C27 C28 . . . . -171.9(2) ?
C31 C26 C27 N4 . . . . 179.1(3) ?
P2 C26 C27 N4 . . . . 7.3(4) ?
C26 C27 C28 C29 . . . . 1.4(5) ?
N4 C27 C28 C29 . . . . -177.8(3) ?
C27 C28 C29 C30 . . . . -1.0(5) ?
C28 C29 C30 C31 . . . . -0.7(5) ?
C29 C30 C31 C26 . . . . 2.0(5) ?
C27 C26 C31 C30 . . . . -1.6(4) ?
P2 C26 C31 C30 . . . . 169.6(2) ?
C40 C35 C36 C37 . . . . 4.2(4) ?
P3 C35 C36 C37 . . . . -170.4(2) ?
C40 C35 C36 N6 . . . . -174.1(3) ?
P3 C35 C36 N6 . . . . 11.3(4) ?
C35 C36 C37 C38 . . . . -2.3(5) ?
N6 C36 C37 C38 . . . . 175.8(3) ?
C36 C37 C38 C39 . . . . -0.9(5) ?
C37 C38 C39 C40 . . . . 2.2(5) ?
C38 C39 C40 C35 . . . . -0.2(5) ?
C36 C35 C40 C39 . . . . -2.9(4) ?
P3 C35 C40 C39 . . . . 171.3(2) ?
C48 C43 C44 C45 . . . . 0.6(4) ?
P3 C43 C44 C45 . . . . -177.4(2) ?
C48 C43 C44 N5 . . . . -178.8(3) ?
P3 C43 C44 N5 . . . . 3.2(4) ?
C43 C44 C45 C46 . . . . -0.1(5) ?
N5 C44 C45 C46 . . . . 179.3(3) ?
C44 C45 C46 C47 . . . . -0.6(5) ?
C45 C46 C47 C48 . . . . 0.8(5) ?
C46 C47 C48 C43 . . . . -0.3(5) ?
C44 C43 C48 C47 . . . . -0.4(5) ?
P3 C43 C48 C47 . . . . 177.5(2) ?
C56 C51 C52 C53 . . . . 0.5(4) ?
P4 C51 C52 C53 . . . . 178.0(2) ?
C56 C51 C52 N7 . . . . -179.5(3) ?
P4 C51 C52 N7 . . . . -1.9(4) ?
C51 C52 C53 C54 . . . . -0.8(5) ?
N7 C52 C53 C54 . . . . 179.2(3) ?
C52 C53 C54 C55 . . . . 0.1(5) ?
C53 C54 C55 C56 . . . . 0.8(5) ?
C54 C55 C56 C51 . . . . -1.2(5) ?
C52 C51 C56 C55 . . . . 0.5(4) ?
P4 C51 C56 C55 . . . . -177.1(2) ?
C64 C59 C60 C61 . . . . -0.9(4) ?
P4 C59 C60 C61 . . . . -177.6(2) ?
C64 C59 C60 N8 . . . . 179.6(2) ?
P4 C59 C60 N8 . . . . 2.9(3) ?
C59 C60 C61 C62 . . . . 0.7(4) ?
N8 C60 C61 C62 . . . . -179.7(3) ?
C60 C61 C62 C63 . . . . 0.7(5) ?
C61 C62 C63 C64 . . . . -1.9(5) ?
C62 C63 C64 C59 . . . . 1.8(4) ?
C60 C59 C64 C63 . . . . -0.4(4) ?
P4 C59 C64 C63 . . . . 176.1(2) ?
C4 C3 N1 C9 . . . . 43.8(4) ?
C2 C3 N1 C9 . . . . -137.0(3) ?
C4 C3 N1 C8 . . . . -81.0(3) ?
C2 C3 N1 C8 . . . . 98.2(3) ?
C12 C11 N2 C17 . . . . -62.5(4) ?
C10 C11 N2 C17 . . . . 117.0(3) ?
C12 C11 N2 C16 . . . . 57.8(3) ?
C10 C11 N2 C16 . . . . -122.7(3) ?
C12 C11 N2 Cu1 . . . . 174.1(2) ?
C10 C11 N2 Cu1 . . . . -6.4(3) ?
C20 C19 N3 C24 . . . . 67.3(3) ?
C18 C19 N3 C24 . . . . -111.6(3) ?
C20 C19 N3 C25 . . . . -54.2(4) ?
C18 C19 N3 C25 . . . . 126.9(3) ?
C20 C19 N3 Cu2 . . . . 179.8(2) ?
C18 C19 N3 Cu2 . . . . 1.0(3) ?
C28 C27 N4 C33 . . . . 57.4(4) ?
C26 C27 N4 C33 . . . . -121.8(3) ?
C28 C27 N4 C32 . . . . -68.5(4) ?
C26 C27 N4 C32 . . . . 112.4(4) ?
C45 C44 N5 C50 . . . . -62.8(4) ?
C43 C44 N5 C50 . . . . 116.6(3) ?
C45 C44 N5 C49 . . . . 57.3(4) ?
C43 C44 N5 C49 . . . . -123.4(3) ?
C45 C44 N5 Cu3 . . . . 173.9(2) ?
C43 C44 N5 Cu3 . . . . -6.7(3) ?
C37 C36 N6 C42 . . . . 47.1(4) ?
C35 C36 N6 C42 . . . . -134.8(3) ?
C37 C36 N6 C41 . . . . -77.9(4) ?
C35 C36 N6 C41 . . . . 100.3(3) ?
C51 C52 N7 C58 . . . . 124.3(3) ?
C53 C52 N7 C58 . . . . -55.7(4) ?
C51 C52 N7 C57 . . . . -115.5(3) ?
C53 C52 N7 C57 . . . . 64.6(3) ?
C51 C52 N7 Cu4 . . . . -1.2(3) ?
C53 C52 N7 Cu4 . . . . 178.8(2) ?
C59 C60 N8 C66 . . . . -117.7(3) ?
C61 C60 N8 C66 . . . . 62.7(3) ?
C59 C60 N8 C65 . . . . 117.7(3) ?
C61 C60 N8 C65 . . . . -61.8(4) ?
B4 B1 B2 B6 . . . . 32.3(3) ?
B3 B1 B2 B6 . . . . 88.9(3) ?
B5 B1 B2 B6 . . . . -23.5(3) ?
Cu1 B1 B2 B6 . . . . -144.3(3) ?
Cu2 B1 B2 B6 . . . . 147.4(2) ?
B4 B1 B2 B7 . . . . -34.9(3) ?
B3 B1 B2 B7 . . . . 21.7(2) ?
B5 B1 B2 B7 . . . . -90.7(3) ?
Cu1 B1 B2 B7 . . . . 148.5(2) ?
Cu2 B1 B2 B7 . . . . 80.1(2) ?
B4 B1 B2 B5 . . . . 55.8(2) ?
B3 B1 B2 B5 . . . . 112.4(2) ?
Cu1 B1 B2 B5 . . . . -120.8(2) ?
Cu2 B1 B2 B5 . . . . 170.9(2) ?
B4 B1 B2 B3 . . . . -56.6(2) ?
B5 B1 B2 B3 . . . . -112.4(2) ?
Cu1 B1 B2 B3 . . . . 126.79(18) ?
Cu2 B1 B2 B3 . . . . 58.45(15) ?
B4 B1 B2 Cu1 . . . . 176.6(2) ?
B3 B1 B2 Cu1 . . . . -126.79(18) ?
B5 B1 B2 Cu1 . . . . 120.8(2) ?
Cu2 B1 B2 Cu1 . . . . -68.35(8) ?
B4 B1 B3 B8 . . . . 24.4(2) ?
B5 B1 B3 B8 . . . . -32.1(3) ?
B2 B1 B3 B8 . . . . -89.4(3) ?
Cu1 B1 B3 B8 . . . . -140.8(2) ?
Cu2 B1 B3 B8 . . . . 173.7(3) ?
B4 B1 B3 B7 . . . . 92.0(3) ?
B5 B1 B3 B7 . . . . 35.5(3) ?
B2 B1 B3 B7 . . . . -21.8(2) ?
Cu1 B1 B3 B7 . . . . -73.2(3) ?
Cu2 B1 B3 B7 . . . . -118.8(2) ?
B5 B1 B3 B4 . . . . -56.4(2) ?
B2 B1 B3 B4 . . . . -113.8(2) ?
Cu1 B1 B3 B4 . . . . -165.2(2) ?
Cu2 B1 B3 B4 . . . . 149.28(19) ?
B4 B1 B3 B2 . . . . 113.8(2) ?
B5 B1 B3 B2 . . . . 57.4(2) ?
Cu1 B1 B3 B2 . . . . -51.40(18) ?
Cu2 B1 B3 B2 . . . . -96.92(17) ?
B4 B1 B3 Cu2 . . . . -149.28(19) ?
B5 B1 B3 Cu2 . . . . 154.3(2) ?
B2 B1 B3 Cu2 . . . . 96.92(17) ?
Cu1 B1 B3 Cu2 . . . . 45.52(15) ?
B6 B2 B3 B1 . . . . -109.7(3) ?
B7 B2 B3 B1 . . . . -156.3(3) ?
B5 B2 B3 B1 . . . . -51.4(2) ?
Cu1 B2 B3 B1 . . . . 50.14(18) ?
B1 B2 B3 B8 . . . . 110.2(2) ?
B6 B2 B3 B8 . . . . 0.4(3) ?
B7 B2 B3 B8 . . . . -46.2(2) ?
B5 B2 B3 B8 . . . . 58.7(2) ?
Cu1 B2 B3 B8 . . . . 160.32(18) ?
B1 B2 B3 B7 . . . . 156.3(3) ?
B6 B2 B3 B7 . . . . 46.6(2) ?
B5 B2 B3 B7 . . . . 104.9(2) ?
Cu1 B2 B3 B7 . . . . -153.5(2) ?
B1 B2 B3 B4 . . . . 50.30(19) ?
B6 B2 B3 B4 . . . . -59.4(2) ?
B7 B2 B3 B4 . . . . -106.0(2) ?
B5 B2 B3 B4 . . . . -1.1(2) ?
Cu1 B2 B3 B4 . . . . 100.44(19) ?
B1 B2 B3 Cu2 . . . . -77.69(17) ?
B6 B2 B3 Cu2 . . . . 172.58(19) ?
B7 B2 B3 Cu2 . . . . 126.0(2) ?
B5 B2 B3 Cu2 . . . . -129.12(17) ?
Cu1 B2 B3 Cu2 . . . . -27.55(16) ?
B3 B1 B4 B5 . . . . -113.7(2) ?
B2 B1 B4 B5 . . . . -55.9(2) ?
Cu1 B1 B4 B5 . . . . -43.6(9) ?
Cu2 B1 B4 B5 . . . . -142.6(2) ?
B5 B1 B4 B3 . . . . 113.7(2) ?
B2 B1 B4 B3 . . . . 57.8(2) ?
Cu1 B1 B4 B3 . . . . 70.0(9) ?
Cu2 B1 B4 B3 . . . . -28.89(18) ?
B3 B1 B4 B8 . . . . -23.7(2) ?
B5 B1 B4 B8 . . . . 89.9(3) ?
B2 B1 B4 B8 . . . . 34.0(3) ?
Cu1 B1 B4 B8 . . . . 46.3(10) ?
Cu2 B1 B4 B8 . . . . -52.6(3) ?
B3 B1 B4 B9 . . . . -89.9(3) ?
B5 B1 B4 B9 . . . . 23.8(2) ?
B2 B1 B4 B9 . . . . -32.1(3) ?
Cu1 B1 B4 B9 . . . . -19.8(10) ?
Cu2 B1 B4 B9 . . . . -118.8(2) ?
B8 B3 B4 B1 . . . . -154.2(3) ?
B7 B3 B4 B1 . . . . -108.2(3) ?
B2 B3 B4 B1 . . . . -50.21(19) ?
Cu2 B3 B4 B1 . . . . 39.6(3) ?
B1 B3 B4 B5 . . . . 51.4(2) ?
B8 B3 B4 B5 . . . . -102.9(2) ?
B7 B3 B4 B5 . . . . -56.8(2) ?
B2 B3 B4 B5 . . . . 1.1(2) ?
Cu2 B3 B4 B5 . . . . 91.0(3) ?
B1 B3 B4 B8 . . . . 154.2(3) ?
B7 B3 B4 B8 . . . . 46.1(2) ?
B2 B3 B4 B8 . . . . 104.0(2) ?
Cu2 B3 B4 B8 . . . . -166.1(3) ?
B1 B3 B4 B9 . . . . 109.7(3) ?
B8 B3 B4 B9 . . . . -44.5(2) ?
B7 B3 B4 B9 . . . . 1.5(3) ?
B2 B3 B4 B9 . . . . 59.5(2) ?
Cu2 B3 B4 B9 . . . . 149.3(2) ?
B4 B1 B5 B9 . . . . -24.4(2) ?
B3 B1 B5 B9 . . . . 32.1(3) ?
B2 B1 B5 B9 . . . . 90.5(3) ?
Cu1 B1 B5 B9 . . . . 145.1(2) ?
Cu2 B1 B5 B9 . . . . 74.0(5) ?
B4 B1 B5 B6 . . . . -91.3(3) ?
B3 B1 B5 B6 . . . . -34.8(3) ?
B2 B1 B5 B6 . . . . 23.7(3) ?
Cu1 B1 B5 B6 . . . . 78.2(3) ?
Cu2 B1 B5 B6 . . . . 7.1(6) ?
B3 B1 B5 B4 . . . . 56.5(2) ?
B2 B1 B5 B4 . . . . 114.9(2) ?
Cu1 B1 B5 B4 . . . . 169.5(2) ?
Cu2 B1 B5 B4 . . . . 98.4(4) ?
B4 B1 B5 B2 . . . . -114.9(2) ?
B3 B1 B5 B2 . . . . -58.5(2) ?
Cu1 B1 B5 B2 . . . . 54.56(18) ?
Cu2 B1 B5 B2 . . . . -16.6(4) ?
B3 B4 B5 B1 . . . . -51.31(19) ?
B8 B4 B5 B1 . . . . -109.6(3) ?
B9 B4 B5 B1 . . . . -154.2(3) ?
B1 B4 B5 B9 . . . . 154.2(3) ?
B3 B4 B5 B9 . . . . 102.9(2) ?
B8 B4 B5 B9 . . . . 44.6(2) ?
B1 B4 B5 B6 . . . . 109.1(2) ?
B3 B4 B5 B6 . . . . 57.8(2) ?
B8 B4 B5 B6 . . . . -0.5(3) ?
B9 B4 B5 B6 . . . . -45.1(2) ?
B1 B4 B5 B2 . . . . 50.14(19) ?
B3 B4 B5 B2 . . . . -1.2(2) ?
B8 B4 B5 B2 . . . . -59.5(2) ?
B9 B4 B5 B2 . . . . -104.1(2) ?
B6 B2 B5 B1 . . . . 154.7(3) ?
B7 B2 B5 B1 . . . . 108.4(3) ?
B3 B2 B5 B1 . . . . 50.8(2) ?
Cu1 B2 B5 B1 . . . . -54.25(19) ?
B1 B2 B5 B9 . . . . -109.8(3) ?
B6 B2 B5 B9 . . . . 44.9(2) ?
B7 B2 B5 B9 . . . . -1.3(3) ?
B3 B2 B5 B9 . . . . -59.0(2) ?
Cu1 B2 B5 B9 . . . . -164.02(19) ?
B1 B2 B5 B6 . . . . -154.7(3) ?
B7 B2 B5 B6 . . . . -46.2(2) ?
B3 B2 B5 B6 . . . . -103.9(2) ?
Cu1 B2 B5 B6 . . . . 151.1(2) ?
B1 B2 B5 B4 . . . . -49.7(2) ?
B6 B2 B5 B4 . . . . 105.0(2) ?
B7 B2 B5 B4 . . . . 58.8(2) ?
B3 B2 B5 B4 . . . . 1.1(2) ?
Cu1 B2 B5 B4 . . . . -103.92(19) ?
B1 B5 B6 B10 . . . . 80.7(3) ?
B9 B5 B6 B10 . . . . -24.1(2) ?
B4 B5 B6 B10 . . . . 21.0(3) ?
B2 B5 B6 B10 . . . . 103.8(3) ?
B1 B5 B6 B2 . . . . -23.2(3) ?
B9 B5 B6 B2 . . . . -127.9(3) ?
B4 B5 B6 B2 . . . . -82.9(2) ?
B1 B5 B6 B9 . . . . 104.8(3) ?
B4 B5 B6 B9 . . . . 45.1(2) ?
B2 B5 B6 B9 . . . . 127.9(3) ?
B1 B5 B6 B7 . . . . 21.6(3) ?
B9 B5 B6 B7 . . . . -83.2(3) ?
B4 B5 B6 B7 . . . . -38.1(3) ?
B2 B5 B6 B7 . . . . 44.8(2) ?
B1 B2 B6 B10 . . . . -80.7(3) ?
B7 B2 B6 B10 . . . . 22.8(2) ?
B5 B2 B6 B10 . . . . -103.8(3) ?
B3 B2 B6 B10 . . . . -22.1(3) ?
Cu1 B2 B6 B10 . . . . -164.4(3) ?
B1 B2 B6 B5 . . . . 23.1(3) ?
B7 B2 B6 B5 . . . . 126.6(3) ?
B3 B2 B6 B5 . . . . 81.8(2) ?
Cu1 B2 B6 B5 . . . . -60.6(4) ?
B1 B2 B6 B9 . . . . -20.8(3) ?
B7 B2 B6 B9 . . . . 82.8(3) ?
B5 B2 B6 B9 . . . . -43.9(2) ?
B3 B2 B6 B9 . . . . 37.9(3) ?
Cu1 B2 B6 B9 . . . . -104.5(4) ?
B1 B2 B6 B7 . . . . -103.6(3) ?
B5 B2 B6 B7 . . . . -126.6(3) ?
B3 B2 B6 B7 . . . . -44.9(2) ?
Cu1 B2 B6 B7 . . . . 172.8(4) ?
B1 B3 B7 B10 . . . . -82.3(3) ?
B8 B3 B7 B10 . . . . 23.0(3) ?
B4 B3 B7 B10 . . . . -22.6(3) ?
B2 B3 B7 B10 . . . . -103.7(3) ?
Cu2 B3 B7 B10 . . . . -173.4(2) ?
B1 B3 B7 B2 . . . . 21.4(2) ?
B8 B3 B7 B2 . . . . 126.7(2) ?
B4 B3 B7 B2 . . . . 81.1(2) ?
Cu2 B3 B7 B2 . . . . -69.7(2) ?
B1 B3 B7 B8 . . . . -105.3(3) ?
B4 B3 B7 B8 . . . . -45.5(2) ?
B2 B3 B7 B8 . . . . -126.7(2) ?
Cu2 B3 B7 B8 . . . . 163.6(3) ?
B1 B3 B7 B6 . . . . -23.8(3) ?
B8 B3 B7 B6 . . . . 81.5(2) ?
B4 B3 B7 B6 . . . . 35.9(3) ?
B2 B3 B7 B6 . . . . -45.2(2) ?
Cu2 B3 B7 B6 . . . . -114.9(2) ?
B1 B2 B7 B10 . . . . 82.1(3) ?
B6 B2 B7 B10 . . . . -22.6(2) ?
B5 B2 B7 B10 . . . . 22.3(3) ?
B3 B2 B7 B10 . . . . 103.4(3) ?
Cu1 B2 B7 B10 . . . . 165.5(4) ?
B1 B2 B7 B3 . . . . -21.2(2) ?
B6 B2 B7 B3 . . . . -125.9(2) ?
B5 B2 B7 B3 . . . . -81.1(2) ?
Cu1 B2 B7 B3 . . . . 62.1(4) ?
B1 B2 B7 B8 . . . . 23.1(3) ?
B6 B2 B7 B8 . . . . -81.6(2) ?
B5 B2 B7 B8 . . . . -36.7(3) ?
B3 B2 B7 B8 . . . . 44.4(2) ?
Cu1 B2 B7 B8 . . . . 106.5(4) ?
B1 B2 B7 B6 . . . . 104.7(3) ?
B5 B2 B7 B6 . . . . 44.8(2) ?
B3 B2 B7 B6 . . . . 125.9(2) ?
Cu1 B2 B7 B6 . . . . -171.9(5) ?
B5 B6 B7 B10 . . . . 108.9(3) ?
B2 B6 B7 B10 . . . . 154.7(3) ?
B9 B6 B7 B10 . . . . 50.4(2) ?
B10 B6 B7 B3 . . . . -107.6(3) ?
B5 B6 B7 B3 . . . . 1.3(3) ?
B2 B6 B7 B3 . . . . 47.1(2) ?
B9 B6 B7 B3 . . . . -57.2(2) ?
B10 B6 B7 B2 . . . . -154.7(3) ?
B5 B6 B7 B2 . . . . -45.8(2) ?
B9 B6 B7 B2 . . . . -104.3(2) ?
B10 B6 B7 B8 . . . . -50.1(2) ?
B5 B6 B7 B8 . . . . 58.8(2) ?
B2 B6 B7 B8 . . . . 104.6(2) ?
B9 B6 B7 B8 . . . . 0.3(2) ?
B1 B3 B8 B10 . . . . 80.4(3) ?
B7 B3 B8 B10 . . . . -23.4(3) ?
B4 B3 B8 B10 . . . . 103.9(3) ?
B2 B3 B8 B10 . . . . 21.3(3) ?
Cu2 B3 B8 B10 . . . . -125.4(8) ?
B1 B3 B8 B4 . . . . -23.5(2) ?
B7 B3 B8 B4 . . . . -127.3(3) ?
B2 B3 B8 B4 . . . . -82.6(2) ?
Cu2 B3 B8 B4 . . . . 130.7(9) ?
B1 B3 B8 B9 . . . . 20.9(3) ?
B7 B3 B8 B9 . . . . -82.9(2) ?
B4 B3 B8 B9 . . . . 44.3(2) ?
B2 B3 B8 B9 . . . . -38.3(3) ?
Cu2 B3 B8 B9 . . . . 175.0(8) ?
B1 B3 B8 B7 . . . . 103.8(3) ?
B4 B3 B8 B7 . . . . 127.3(3) ?
B2 B3 B8 B7 . . . . 44.7(2) ?
Cu2 B3 B8 B7 . . . . -102.0(9) ?
B1 B4 B8 B10 . . . . -80.5(3) ?
B5 B4 B8 B10 . . . . -20.0(3) ?
B3 B4 B8 B10 . . . . -104.2(3) ?
B9 B4 B8 B10 . . . . 23.7(3) ?
B1 B4 B8 B3 . . . . 23.7(2) ?
B5 B4 B8 B3 . . . . 84.1(2) ?
B9 B4 B8 B3 . . . . 127.8(3) ?
B1 B4 B8 B9 . . . . -104.2(3) ?
B5 B4 B8 B9 . . . . -43.7(2) ?
B3 B4 B8 B9 . . . . -127.8(3) ?
B1 B4 B8 B7 . . . . -21.0(3) ?
B5 B4 B8 B7 . . . . 39.5(3) ?
B3 B4 B8 B7 . . . . -44.7(2) ?
B9 B4 B8 B7 . . . . 83.1(2) ?
B3 B7 B8 B10 . . . . 154.3(3) ?
B2 B7 B8 B10 . . . . 107.8(3) ?
B6 B7 B8 B10 . . . . 49.7(2) ?
B10 B7 B8 B3 . . . . -154.3(3) ?
B2 B7 B8 B3 . . . . -46.5(2) ?
B6 B7 B8 B3 . . . . -104.5(2) ?
B10 B7 B8 B4 . . . . -109.2(3) ?
B3 B7 B8 B4 . . . . 45.1(2) ?
B2 B7 B8 B4 . . . . -1.4(3) ?
B6 B7 B8 B4 . . . . -59.4(2) ?
B10 B7 B8 B9 . . . . -50.0(2) ?
B3 B7 B8 B9 . . . . 104.2(2) ?
B2 B7 B8 B9 . . . . 57.7(2) ?
B6 B7 B8 B9 . . . . -0.3(2) ?
B1 B5 B9 B10 . . . . -80.3(3) ?
B6 B5 B9 B10 . . . . 24.1(3) ?
B4 B5 B9 B10 . . . . -103.7(3) ?
B2 B5 B9 B10 . . . . -20.1(3) ?
B1 B5 B9 B6 . . . . -104.4(3) ?
B4 B5 B9 B6 . . . . -127.8(2) ?
B2 B5 B9 B6 . . . . -44.2(2) ?
B1 B5 B9 B4 . . . . 23.5(2) ?
B6 B5 B9 B4 . . . . 127.8(2) ?
B2 B5 B9 B4 . . . . 83.6(2) ?
B1 B5 B9 B8 . . . . -20.9(3) ?
B6 B5 B9 B8 . . . . 83.5(2) ?
B4 B5 B9 B8 . . . . -44.4(2) ?
B2 B5 B9 B8 . . . . 39.2(3) ?
B5 B6 B9 B10 . . . . -153.4(3) ?
B2 B6 B9 B10 . . . . -108.5(3) ?
B7 B6 B9 B10 . . . . -49.9(2) ?
B10 B6 B9 B5 . . . . 153.4(3) ?
B2 B6 B9 B5 . . . . 44.9(2) ?
B7 B6 B9 B5 . . . . 103.5(2) ?
B10 B6 B9 B4 . . . . 108.7(3) ?
B5 B6 B9 B4 . . . . -44.7(2) ?
B2 B6 B9 B4 . . . . 0.2(3) ?
B7 B6 B9 B4 . . . . 58.8(2) ?
B10 B6 B9 B8 . . . . 49.6(2) ?
B5 B6 B9 B8 . . . . -103.8(2) ?
B2 B6 B9 B8 . . . . -58.9(3) ?
B7 B6 B9 B8 . . . . -0.3(2) ?
B1 B4 B9 B10 . . . . 80.4(3) ?
B5 B4 B9 B10 . . . . 104.1(3) ?
B3 B4 B9 B10 . . . . 20.0(3) ?
B8 B4 B9 B10 . . . . -23.6(3) ?
B1 B4 B9 B5 . . . . -23.7(2) ?
B3 B4 B9 B5 . . . . -84.1(2) ?
B8 B4 B9 B5 . . . . -127.7(3) ?
B1 B4 B9 B6 . . . . 20.7(3) ?
B5 B4 B9 B6 . . . . 44.5(2) ?
B3 B4 B9 B6 . . . . -39.7(3) ?
B8 B4 B9 B6 . . . . -83.3(3) ?
B1 B4 B9 B8 . . . . 104.0(3) ?
B5 B4 B9 B8 . . . . 127.7(3) ?
B3 B4 B9 B8 . . . . 43.6(2) ?
B3 B8 B9 B10 . . . . 109.1(3) ?
B4 B8 B9 B10 . . . . 153.9(3) ?
B7 B8 B9 B10 . . . . 50.1(2) ?
B10 B8 B9 B5 . . . . -109.1(3) ?
B3 B8 B9 B5 . . . . 0.0(3) ?
B4 B8 B9 B5 . . . . 44.8(2) ?
B7 B8 B9 B5 . . . . -59.0(2) ?
B10 B8 B9 B6 . . . . -49.8(2) ?
B3 B8 B9 B6 . . . . 59.4(2) ?
B4 B8 B9 B6 . . . . 104.1(2) ?
B7 B8 B9 B6 . . . . 0.3(2) ?
B10 B8 B9 B4 . . . . -153.9(3) ?
B3 B8 B9 B4 . . . . -44.7(2) ?
B7 B8 B9 B4 . . . . -103.8(2) ?
B5 B6 B10 B8 . . . . -32.2(3) ?
B2 B6 B10 B8 . . . . 34.3(3) ?
B9 B6 B10 B8 . . . . -56.7(2) ?
B7 B6 B10 B8 . . . . 57.7(2) ?
B5 B6 B10 B9 . . . . 24.5(2) ?
B2 B6 B10 B9 . . . . 91.0(3) ?
B7 B6 B10 B9 . . . . 114.4(2) ?
B5 B6 B10 B7 . . . . -89.9(3) ?
B2 B6 B10 B7 . . . . -23.4(2) ?
B9 B6 B10 B7 . . . . -114.4(2) ?
B3 B8 B10 B6 . . . . -34.2(3) ?
B4 B8 B10 B6 . . . . 32.0(3) ?
B9 B8 B10 B6 . . . . 56.3(2) ?
B7 B8 B10 B6 . . . . -58.2(2) ?
B3 B8 B10 B9 . . . . -90.5(3) ?
B4 B8 B10 B9 . . . . -24.3(3) ?
B7 B8 B10 B9 . . . . -114.5(3) ?
B3 B8 B10 B7 . . . . 24.0(3) ?
B4 B8 B10 B7 . . . . 90.1(3) ?
B9 B8 B10 B7 . . . . 114.5(3) ?
B5 B9 B10 B6 . . . . -24.8(3) ?
B4 B9 B10 B6 . . . . -90.8(3) ?
B8 B9 B10 B6 . . . . -115.1(2) ?
B5 B9 B10 B8 . . . . 90.3(3) ?
B6 B9 B10 B8 . . . . 115.1(2) ?
B4 B9 B10 B8 . . . . 24.3(3) ?
B5 B9 B10 B7 . . . . 33.0(3) ?
B6 B9 B10 B7 . . . . 57.8(2) ?
B4 B9 B10 B7 . . . . -33.0(4) ?
B8 B9 B10 B7 . . . . -57.3(2) ?
B3 B7 B10 B6 . . . . 90.5(3) ?
B2 B7 B10 B6 . . . . 23.2(2) ?
B8 B7 B10 B6 . . . . 113.9(2) ?
B3 B7 B10 B8 . . . . -23.4(3) ?
B2 B7 B10 B8 . . . . -90.7(3) ?
B6 B7 B10 B8 . . . . -113.9(2) ?
B3 B7 B10 B9 . . . . 33.7(3) ?
B2 B7 B10 B9 . . . . -33.6(3) ?
B8 B7 B10 B9 . . . . 57.1(2) ?
B6 B7 B10 B9 . . . . -56.8(2) ?
B14 B11 B12 B16 . . . . 32.8(3) ?
B15 B11 B12 B16 . . . . -23.5(3) ?
B13 B11 B12 B16 . . . . 89.0(3) ?
Cu3 B11 B12 B16 . . . . -144.7(3) ?
Cu4 B11 B12 B16 . . . . 146.9(3) ?
B14 B11 B12 B17 . . . . -34.5(3) ?
B15 B11 B12 B17 . . . . -90.9(3) ?
B13 B11 B12 B17 . . . . 21.7(2) ?
Cu3 B11 B12 B17 . . . . 148.0(2) ?
Cu4 B11 B12 B17 . . . . 79.6(2) ?
B14 B11 B12 B15 . . . . 56.3(2) ?
B13 B11 B12 B15 . . . . 112.5(2) ?
Cu3 B11 B12 B15 . . . . -121.2(2) ?
Cu4 B11 B12 B15 . . . . 170.4(2) ?
B14 B11 B12 B13 . . . . -56.2(2) ?
B15 B11 B12 B13 . . . . -112.5(2) ?
Cu3 B11 B12 B13 . . . . 126.31(17) ?
Cu4 B11 B12 B13 . . . . 57.90(14) ?
B14 B11 B12 Cu3 . . . . 177.5(2) ?
B15 B11 B12 Cu3 . . . . 121.2(2) ?
B13 B11 B12 Cu3 . . . . -126.31(17) ?
Cu4 B11 B12 Cu3 . . . . -68.41(8) ?
B12 B11 B13 B18 . . . . -89.0(3) ?
B14 B11 B13 B18 . . . . 24.7(3) ?
B15 B11 B13 B18 . . . . -31.7(3) ?
Cu3 B11 B13 B18 . . . . -141.2(2) ?
Cu4 B11 B13 B18 . . . . 173.7(3) ?
B12 B11 B13 B17 . . . . -21.7(2) ?
B14 B11 B13 B17 . . . . 92.0(3) ?
B15 B11 B13 B17 . . . . 35.6(3) ?
Cu3 B11 B13 B17 . . . . -73.8(3) ?
Cu4 B11 B13 B17 . . . . -118.9(2) ?
B12 B11 B13 B14 . . . . -113.7(2) ?
B15 B11 B13 B14 . . . . -56.4(2) ?
Cu3 B11 B13 B14 . . . . -165.8(2) ?
Cu4 B11 B13 B14 . . . . 149.1(2) ?
B14 B11 B13 B12 . . . . 113.7(2) ?
B15 B11 B13 B12 . . . . 57.3(2) ?
Cu3 B11 B13 B12 . . . . -52.11(18) ?
Cu4 B11 B13 B12 . . . . -97.21(17) ?
B12 B11 B13 Cu4 . . . . 97.21(17) ?
B14 B11 B13 Cu4 . . . . -149.1(2) ?
B15 B11 B13 Cu4 . . . . 154.6(2) ?
Cu3 B11 B13 Cu4 . . . . 45.10(16) ?
B16 B12 B13 B11 . . . . -110.3(3) ?
B17 B12 B13 B11 . . . . -156.5(2) ?
B15 B12 B13 B11 . . . . -51.6(2) ?
Cu3 B12 B13 B11 . . . . 50.46(18) ?
B11 B12 B13 B18 . . . . 110.5(2) ?
B16 B12 B13 B18 . . . . 0.3(3) ?
B17 B12 B13 B18 . . . . -46.0(2) ?
B15 B12 B13 B18 . . . . 58.9(2) ?
Cu3 B12 B13 B18 . . . . 160.97(19) ?
B11 B12 B13 B17 . . . . 156.5(2) ?
B16 B12 B13 B17 . . . . 46.2(2) ?
B15 B12 B13 B17 . . . . 104.9(2) ?
Cu3 B12 B13 B17 . . . . -153.1(2) ?
B11 B12 B13 B14 . . . . 50.78(19) ?
B16 B12 B13 B14 . . . . -59.5(3) ?
B17 B12 B13 B14 . . . . -105.7(2) ?
B15 B12 B13 B14 . . . . -0.9(2) ?
Cu3 B12 B13 B14 . . . . 101.24(19) ?
B11 B12 B13 Cu4 . . . . -77.84(17) ?
B16 B12 B13 Cu4 . . . . 171.9(2) ?
B17 B12 B13 Cu4 . . . . 125.7(2) ?
B15 B12 B13 Cu4 . . . . -129.48(18) ?
Cu3 B12 B13 Cu4 . . . . -27.38(17) ?
B12 B11 B14 B13 . . . . 57.8(2) ?
B15 B11 B14 B13 . . . . 114.1(2) ?
Cu3 B11 B14 B13 . . . . 67.1(9) ?
Cu4 B11 B14 B13 . . . . -28.68(18) ?
B12 B11 B14 B18 . . . . 33.7(3) ?
B15 B11 B14 B18 . . . . 89.9(3) ?
B13 B11 B14 B18 . . . . -24.1(2) ?
Cu3 B11 B14 B18 . . . . 42.9(10) ?
Cu4 B11 B14 B18 . . . . -52.8(3) ?
B12 B11 B14 B19 . . . . -32.6(3) ?
B15 B11 B14 B19 . . . . 23.6(3) ?
B13 B11 B14 B19 . . . . -90.4(3) ?
Cu3 B11 B14 B19 . . . . -23.4(10) ?
Cu4 B11 B14 B19 . . . . -119.1(2) ?
B12 B11 B14 B15 . . . . -56.3(2) ?
B13 B11 B14 B15 . . . . -114.1(2) ?
Cu3 B11 B14 B15 . . . . -47.0(9) ?
Cu4 B11 B14 B15 . . . . -142.7(2) ?
B18 B13 B14 B11 . . . . -153.9(3) ?
B17 B13 B14 B11 . . . . -108.0(3) ?
B12 B13 B14 B11 . . . . -49.9(2) ?
Cu4 B13 B14 B11 . . . . 40.4(3) ?
B11 B13 B14 B18 . . . . 153.9(3) ?
B17 B13 B14 B18 . . . . 45.9(2) ?
B12 B13 B14 B18 . . . . 104.0(2) ?
Cu4 B13 B14 B18 . . . . -165.6(3) ?
B11 B13 B14 B19 . . . . 109.0(3) ?
B18 B13 B14 B19 . . . . -44.9(2) ?
B17 B13 B14 B19 . . . . 1.0(3) ?
B12 B13 B14 B19 . . . . 59.1(2) ?
Cu4 B13 B14 B19 . . . . 149.4(2) ?
B11 B13 B14 B15 . . . . 50.8(2) ?
B18 B13 B14 B15 . . . . -103.2(2) ?
B17 B13 B14 B15 . . . . -57.2(3) ?
B12 B13 B14 B15 . . . . 0.9(2) ?
Cu4 B13 B14 B15 . . . . 91.2(3) ?
B12 B11 B15 B19 . . . . 90.1(3) ?
B14 B11 B15 B19 . . . . -24.2(3) ?
B13 B11 B15 B19 . . . . 31.6(3) ?
Cu3 B11 B15 B19 . . . . 144.8(2) ?
Cu4 B11 B15 B19 . . . . 72.7(5) ?
B12 B11 B15 B16 . . . . 23.5(3) ?
B14 B11 B15 B16 . . . . -90.9(3) ?
B13 B11 B15 B16 . . . . -35.0(3) ?
Cu3 B11 B15 B16 . . . . 78.2(3) ?
Cu4 B11 B15 B16 . . . . 6.1(6) ?
B14 B11 B15 B12 . . . . -114.3(3) ?
B13 B11 B15 B12 . . . . -58.5(2) ?
Cu3 B11 B15 B12 . . . . 54.7(2) ?
Cu4 B11 B15 B12 . . . . -17.4(4) ?
B12 B11 B15 B14 . . . . 114.3(3) ?
B13 B11 B15 B14 . . . . 55.8(2) ?
Cu3 B11 B15 B14 . . . . 169.1(2) ?
Cu4 B11 B15 B14 . . . . 97.0(4) ?
B16 B12 B15 B11 . . . . 154.8(3) ?
B17 B12 B15 B11 . . . . 108.8(3) ?
B13 B12 B15 B11 . . . . 51.0(2) ?
Cu3 B12 B15 B11 . . . . -54.0(2) ?
B11 B12 B15 B19 . . . . -109.8(3) ?
B16 B12 B15 B19 . . . . 45.0(2) ?
B17 B12 B15 B19 . . . . -1.0(3) ?
B13 B12 B15 B19 . . . . -58.8(2) ?
Cu3 B12 B15 B19 . . . . -163.8(2) ?
B11 B12 B15 B16 . . . . -154.8(3) ?
B17 B12 B15 B16 . . . . -45.9(2) ?
B13 B12 B15 B16 . . . . -103.8(2) ?
Cu3 B12 B15 B16 . . . . 151.2(2) ?
B11 B12 B15 B14 . . . . -50.2(2) ?
B16 B12 B15 B14 . . . . 104.6(3) ?
B17 B12 B15 B14 . . . . 58.7(3) ?
B13 B12 B15 B14 . . . . 0.9(2) ?
Cu3 B12 B15 B14 . . . . -104.1(2) ?
B13 B14 B15 B11 . . . . -51.1(2) ?
B18 B14 B15 B11 . . . . -109.7(2) ?
B19 B14 B15 B11 . . . . -154.3(3) ?
B11 B14 B15 B19 . . . . 154.3(3) ?
B13 B14 B15 B19 . . . . 103.2(2) ?
B18 B14 B15 B19 . . . . 44.6(2) ?
B11 B14 B15 B16 . . . . 108.9(2) ?
B13 B14 B15 B16 . . . . 57.9(2) ?
B18 B14 B15 B16 . . . . -0.7(3) ?
B19 B14 B15 B16 . . . . -45.3(2) ?
B11 B14 B15 B12 . . . . 50.2(2) ?
B13 B14 B15 B12 . . . . -0.9(2) ?
B18 B14 B15 B12 . . . . -59.5(2) ?
B19 B14 B15 B12 . . . . -104.1(2) ?
B11 B15 B16 B20 . . . . 81.1(3) ?
B19 B15 B16 B20 . . . . -23.7(2) ?
B12 B15 B16 B20 . . . . 104.0(3) ?
B14 B15 B16 B20 . . . . 21.4(3) ?
B11 B15 B16 B12 . . . . -22.9(3) ?
B19 B15 B16 B12 . . . . -127.7(3) ?
B14 B15 B16 B12 . . . . -82.6(2) ?
B11 B15 B16 B19 . . . . 104.8(3) ?
B12 B15 B16 B19 . . . . 127.7(3) ?
B14 B15 B16 B19 . . . . 45.1(2) ?
B11 B15 B16 B17 . . . . 21.9(3) ?
B19 B15 B16 B17 . . . . -82.9(2) ?
B12 B15 B16 B17 . . . . 44.8(2) ?
B14 B15 B16 B17 . . . . -37.8(3) ?
B11 B12 B16 B20 . . . . -80.8(4) ?
B17 B12 B16 B20 . . . . 23.0(3) ?
B15 B12 B16 B20 . . . . -104.0(3) ?
B13 B12 B16 B20 . . . . -21.7(3) ?
Cu3 B12 B16 B20 . . . . -165.2(3) ?
B11 B12 B16 B15 . . . . 23.2(3) ?
B17 B12 B16 B15 . . . . 127.0(3) ?
B13 B12 B16 B15 . . . . 82.3(2) ?
Cu3 B12 B16 B15 . . . . -61.3(4) ?
B11 B12 B16 B19 . . . . -21.0(4) ?
B17 B12 B16 B19 . . . . 82.8(3) ?
B15 B12 B16 B19 . . . . -44.1(2) ?
B13 B12 B16 B19 . . . . 38.2(3) ?
Cu3 B12 B16 B19 . . . . -105.4(4) ?
B11 B12 B16 B17 . . . . -103.8(3) ?
B15 B12 B16 B17 . . . . -127.0(3) ?
B13 B12 B16 B17 . . . . -44.7(2) ?
Cu3 B12 B16 B17 . . . . 171.8(5) ?
B11 B13 B17 B20 . . . . -82.2(3) ?
B18 B13 B17 B20 . . . . 23.5(3) ?
B14 B13 B17 B20 . . . . -21.9(4) ?
B12 B13 B17 B20 . . . . -103.3(3) ?
Cu4 B13 B17 B20 . . . . -173.6(2) ?
B11 B13 B17 B12 . . . . 21.1(2) ?
B18 B13 B17 B12 . . . . 126.8(2) ?
B14 B13 B17 B12 . . . . 81.4(2) ?
Cu4 B13 B17 B12 . . . . -70.3(2) ?
B11 B13 B17 B18 . . . . -105.7(3) ?
B14 B13 B17 B18 . . . . -45.4(2) ?
B12 B13 B17 B18 . . . . -126.8(2) ?
Cu4 B13 B17 B18 . . . . 162.9(3) ?
B11 B13 B17 B16 . . . . -23.7(3) ?
B18 B13 B17 B16 . . . . 82.0(2) ?
B14 B13 B17 B16 . . . . 36.6(3) ?
B12 B13 B17 B16 . . . . -44.8(2) ?
Cu4 B13 B17 B16 . . . . -115.1(2) ?
B11 B12 B17 B20 . . . . 82.4(3) ?
B16 B12 B17 B20 . . . . -22.6(3) ?
B15 B12 B17 B20 . . . . 22.2(3) ?
B13 B12 B17 B20 . . . . 103.7(3) ?
Cu3 B12 B17 B20 . . . . 166.3(4) ?
B11 B12 B17 B13 . . . . -21.3(2) ?
B16 B12 B17 B13 . . . . -126.4(2) ?
B15 B12 B17 B13 . . . . -81.6(2) ?
Cu3 B12 B17 B13 . . . . 62.6(5) ?
B11 B12 B17 B18 . . . . 23.1(3) ?
B16 B12 B17 B18 . . . . -82.0(2) ?
B15 B12 B17 B18 . . . . -37.2(3) ?
B13 B12 B17 B18 . . . . 44.4(2) ?
Cu3 B12 B17 B18 . . . . 107.0(5) ?
B11 B12 B17 B16 . . . . 105.1(3) ?
B15 B12 B17 B16 . . . . 44.8(2) ?
B13 B12 B17 B16 . . . . 126.4(2) ?
Cu3 B12 B17 B16 . . . . -171.1(5) ?
B15 B16 B17 B20 . . . . 108.9(3) ?
B12 B16 B17 B20 . . . . 154.5(3) ?
B19 B16 B17 B20 . . . . 50.3(2) ?
B20 B16 B17 B13 . . . . -107.9(3) ?
B15 B16 B17 B13 . . . . 1.0(3) ?
B12 B16 B17 B13 . . . . 46.6(2) ?
B19 B16 B17 B13 . . . . -57.6(3) ?
B20 B16 B17 B12 . . . . -154.5(3) ?
B15 B16 B17 B12 . . . . -45.6(2) ?
B19 B16 B17 B12 . . . . -104.2(2) ?
B20 B16 B17 B18 . . . . -50.1(2) ?
B15 B16 B17 B18 . . . . 58.8(3) ?
B12 B16 B17 B18 . . . . 104.4(2) ?
B19 B16 B17 B18 . . . . 0.2(2) ?
B11 B13 B18 B20 . . . . 79.7(3) ?
B17 B13 B18 B20 . . . . -23.6(3) ?
B14 B13 B18 B20 . . . . 103.6(3) ?
B12 B13 B18 B20 . . . . 21.0(3) ?
Cu4 B13 B18 B20 . . . . -124.8(8) ?
B11 B13 B18 B14 . . . . -23.9(2) ?
B17 B13 B18 B14 . . . . -127.2(3) ?
B12 B13 B18 B14 . . . . -82.6(2) ?
Cu4 B13 B18 B14 . . . . 131.6(9) ?
B11 B13 B18 B19 . . . . 20.6(3) ?
B17 B13 B18 B19 . . . . -82.7(3) ?
B14 B13 B18 B19 . . . . 44.5(2) ?
B12 B13 B18 B19 . . . . -38.1(3) ?
Cu4 B13 B18 B19 . . . . 176.1(8) ?
B11 B13 B18 B17 . . . . 103.3(3) ?
B14 B13 B18 B17 . . . . 127.2(3) ?
B12 B13 B18 B17 . . . . 44.6(2) ?
Cu4 B13 B18 B17 . . . . -101.2(9) ?
B11 B14 B18 B20 . . . . -79.9(3) ?
B13 B14 B18 B20 . . . . -103.8(3) ?
B19 B14 B18 B20 . . . . 23.7(2) ?
B15 B14 B18 B20 . . . . -19.8(3) ?
B11 B14 B18 B13 . . . . 24.0(2) ?
B19 B14 B18 B13 . . . . 127.5(3) ?
B15 B14 B18 B13 . . . . 84.0(2) ?
B11 B14 B18 B19 . . . . -103.6(3) ?
B13 B14 B18 B19 . . . . -127.5(3) ?
B15 B14 B18 B19 . . . . -43.5(2) ?
B11 B14 B18 B17 . . . . -20.8(3) ?
B13 B14 B18 B17 . . . . -44.7(2) ?
B19 B14 B18 B17 . . . . 82.8(2) ?
B15 B14 B18 B17 . . . . 39.3(2) ?
B13 B17 B18 B20 . . . . 153.8(3) ?
B12 B17 B18 B20 . . . . 107.5(3) ?
B16 B17 B18 B20 . . . . 49.5(2) ?
B20 B17 B18 B13 . . . . -153.8(3) ?
B12 B17 B18 B13 . . . . -46.3(2) ?
B16 B17 B18 B13 . . . . -104.3(2) ?
B20 B17 B18 B14 . . . . -108.8(3) ?
B13 B17 B18 B14 . . . . 45.0(2) ?
B12 B17 B18 B14 . . . . -1.3(3) ?
B16 B17 B18 B14 . . . . -59.3(2) ?
B20 B17 B18 B19 . . . . -49.8(2) ?
B13 B17 B18 B19 . . . . 104.1(2) ?
B12 B17 B18 B19 . . . . 57.8(2) ?
B16 B17 B18 B19 . . . . -0.2(2) ?
B11 B15 B19 B20 . . . . -80.3(3) ?
B16 B15 B19 B20 . . . . 23.7(2) ?
B12 B15 B19 B20 . . . . -20.6(3) ?
B14 B15 B19 B20 . . . . -103.7(3) ?
B11 B15 B19 B16 . . . . -103.9(3) ?
B12 B15 B19 B16 . . . . -44.2(2) ?
B14 B15 B19 B16 . . . . -127.3(2) ?
B11 B15 B19 B14 . . . . 23.4(2) ?
B16 B15 B19 B14 . . . . 127.3(2) ?
B12 B15 B19 B14 . . . . 83.1(2) ?
B11 B15 B19 B18 . . . . -20.7(3) ?
B16 B15 B19 B18 . . . . 83.3(3) ?
B12 B15 B19 B18 . . . . 39.0(3) ?
B14 B15 B19 B18 . . . . -44.1(2) ?
B15 B16 B19 B20 . . . . -153.8(3) ?
B12 B16 B19 B20 . . . . -108.8(3) ?
B17 B16 B19 B20 . . . . -49.9(2) ?
B20 B16 B19 B15 . . . . 153.8(3) ?
B12 B16 B19 B15 . . . . 45.0(2) ?
B17 B16 B19 B15 . . . . 103.9(2) ?
B20 B16 B19 B14 . . . . 108.5(3) ?
B15 B16 B19 B14 . . . . -45.3(2) ?
B12 B16 B19 B14 . . . . -0.3(3) ?
B17 B16 B19 B14 . . . . 58.6(3) ?
B20 B16 B19 B18 . . . . 49.7(2) ?
B15 B16 B19 B18 . . . . -104.1(2) ?
B12 B16 B19 B18 . . . . -59.1(3) ?
B17 B16 B19 B18 . . . . -0.2(2) ?
B11 B14 B19 B20 . . . . 80.7(3) ?
B13 B14 B19 B20 . . . . 20.2(3) ?
B18 B14 B19 B20 . . . . -23.8(3) ?
B15 B14 B19 B20 . . . . 104.2(3) ?
B11 B14 B19 B15 . . . . -23.4(2) ?
B13 B14 B19 B15 . . . . -83.9(2) ?
B18 B14 B19 B15 . . . . -127.9(3) ?
B11 B14 B19 B16 . . . . 21.3(3) ?
B13 B14 B19 B16 . . . . -39.2(3) ?
B18 B14 B19 B16 . . . . -83.2(3) ?
B15 B14 B19 B16 . . . . 44.7(2) ?
B11 B14 B19 B18 . . . . 104.5(3) ?
B13 B14 B19 B18 . . . . 44.0(2) ?
B15 B14 B19 B18 . . . . 127.9(3) ?
B13 B18 B19 B20 . . . . 108.9(3) ?
B14 B18 B19 B20 . . . . 153.7(3) ?
B17 B18 B19 B20 . . . . 49.8(2) ?
B20 B18 B19 B15 . . . . -108.8(3) ?
B13 B18 B19 B15 . . . . 0.1(3) ?
B14 B18 B19 B15 . . . . 44.9(2) ?
B17 B18 B19 B15 . . . . -59.0(3) ?
B20 B18 B19 B16 . . . . -49.6(2) ?
B13 B18 B19 B16 . . . . 59.3(3) ?
B14 B18 B19 B16 . . . . 104.1(2) ?
B17 B18 B19 B16 . . . . 0.2(2) ?
B20 B18 B19 B14 . . . . -153.7(3) ?
B13 B18 B19 B14 . . . . -44.8(2) ?
B17 B18 B19 B14 . . . . -103.9(2) ?
B15 B16 B20 B19 . . . . 24.2(2) ?
B12 B16 B20 B19 . . . . 90.7(3) ?
B17 B16 B20 B19 . . . . 114.4(2) ?
B15 B16 B20 B17 . . . . -90.2(3) ?
B12 B16 B20 B17 . . . . -23.7(3) ?
B19 B16 B20 B17 . . . . -114.4(2) ?
B15 B16 B20 B18 . . . . -32.7(3) ?
B12 B16 B20 B18 . . . . 33.8(3) ?
B19 B16 B20 B18 . . . . -56.9(2) ?
B17 B16 B20 B18 . . . . 57.5(2) ?
B15 B19 B20 B16 . . . . -24.4(2) ?
B14 B19 B20 B16 . . . . -90.8(3) ?
B18 B19 B20 B16 . . . . -115.1(2) ?
B15 B19 B20 B17 . . . . 33.5(3) ?
B16 B19 B20 B17 . . . . 57.9(2) ?
B14 B19 B20 B17 . . . . -32.9(4) ?
B18 B19 B20 B17 . . . . -57.2(2) ?
B15 B19 B20 B18 . . . . 90.7(3) ?
B16 B19 B20 B18 . . . . 115.1(2) ?
B14 B19 B20 B18 . . . . 24.4(3) ?
B13 B17 B20 B16 . . . . 90.4(3) ?
B12 B17 B20 B16 . . . . 23.3(3) ?
B18 B17 B20 B16 . . . . 114.3(3) ?
B13 B17 B20 B19 . . . . 33.3(4) ?
B12 B17 B20 B19 . . . . -33.8(3) ?
B18 B17 B20 B19 . . . . 57.2(2) ?
B16 B17 B20 B19 . . . . -57.0(3) ?
B13 B17 B20 B18 . . . . -23.9(3) ?
B12 B17 B20 B18 . . . . -91.0(3) ?
B16 B17 B20 B18 . . . . -114.3(3) ?
B13 B18 B20 B16 . . . . -33.7(3) ?
B14 B18 B20 B16 . . . . 32.1(3) ?
B19 B18 B20 B16 . . . . 56.5(2) ?
B17 B18 B20 B16 . . . . -58.0(2) ?
B13 B18 B20 B19 . . . . -90.2(3) ?
B14 B18 B20 B19 . . . . -24.4(3) ?
B17 B18 B20 B19 . . . . -114.6(3) ?
B13 B18 B20 B17 . . . . 24.4(3) ?
B14 B18 B20 B17 . . . . 90.1(3) ?
B19 B18 B20 B17 . . . . 114.6(3) ?
C11 C10 P1 C2 . . . . 129.5(2) ?
C15 C10 P1 C2 . . . . -47.7(3) ?
C11 C10 P1 C1 . . . . -117.3(2) ?
C15 C10 P1 C1 . . . . 65.5(3) ?
C11 C10 P1 Cu1 . . . . 0.2(2) ?
C15 C10 P1 Cu1 . . . . -177.1(2) ?
C7 C2 P1 C10 . . . . 109.0(3) ?
C3 C2 P1 C10 . . . . -79.1(2) ?
C7 C2 P1 C1 . . . . -1.0(3) ?
C3 C2 P1 C1 . . . . 170.9(2) ?
C7 C2 P1 Cu1 . . . . -135.7(2) ?
C3 C2 P1 Cu1 . . . . 36.2(3) ?
P2 C1 P1 C10 . . . . 159.39(15) ?
P2 C1 P1 C2 . . . . -89.98(17) ?
P2 C1 P1 Cu1 . . . . 49.82(16) ?
C23 C18 P2 C26 . . . . -43.8(3) ?
C19 C18 P2 C26 . . . . 140.6(2) ?
C23 C18 P2 C1 . . . . 66.3(3) ?
C19 C18 P2 C1 . . . . -109.2(2) ?
C23 C18 P2 Cu2 . . . . -177.8(2) ?
C19 C18 P2 Cu2 . . . . 6.7(3) ?
C27 C26 P2 C18 . . . . -72.9(3) ?
C31 C26 P2 C18 . . . . 115.7(3) ?
C27 C26 P2 C1 . . . . 178.2(2) ?
C31 C26 P2 C1 . . . . 6.8(3) ?
C27 C26 P2 Cu2 . . . . 47.7(3) ?
C31 C26 P2 Cu2 . . . . -123.7(2) ?
P1 C1 P2 C18 . . . . 88.06(16) ?
P1 C1 P2 C26 . . . . -160.93(15) ?
P1 C1 P2 Cu2 . . . . -22.46(17) ?
C48 C43 P3 C35 . . . . -45.8(3) ?
C44 C43 P3 C35 . . . . 132.2(2) ?
C48 C43 P3 C34 . . . . 66.7(3) ?
C44 C43 P3 C34 . . . . -115.4(2) ?
C48 C43 P3 Cu3 . . . . -176.1(2) ?
C44 C43 P3 Cu3 . . . . 1.8(3) ?
C40 C35 P3 C43 . . . . 105.3(3) ?
C36 C35 P3 C43 . . . . -80.4(3) ?
C40 C35 P3 C34 . . . . -4.1(3) ?
C36 C35 P3 C34 . . . . 170.2(2) ?
C40 C35 P3 Cu3 . . . . -138.6(2) ?
C36 C35 P3 Cu3 . . . . 35.8(3) ?
P4 C34 P3 C43 . . . . 159.24(14) ?
P4 C34 P3 C35 . . . . -90.66(16) ?
P4 C34 P3 Cu3 . . . . 49.44(15) ?
C60 C59 P4 C51 . . . . -75.5(2) ?
C64 C59 P4 C51 . . . . 108.0(2) ?
C60 C59 P4 C34 . . . . 176.08(19) ?
C64 C59 P4 C34 . . . . -0.4(3) ?
C60 C59 P4 Cu4 . . . . 42.6(2) ?
C64 C59 P4 Cu4 . . . . -134.0(2) ?
C52 C51 P4 C59 . . . . 137.4(2) ?
C56 C51 P4 C59 . . . . -45.0(3) ?
C52 C51 P4 C34 . . . . -112.9(2) ?
C56 C51 P4 C34 . . . . 64.6(3) ?
C52 C51 P4 Cu4 . . . . 3.9(3) ?
C56 C51 P4 Cu4 . . . . -178.5(2) ?
P3 C34 P4 C59 . . . . -163.34(13) ?
P3 C34 P4 C51 . . . . 87.65(15) ?
P3 C34 P4 Cu4 . . . . -22.25(16) ?
C10 P1 Cu1 N2 . . . . -2.64(11) ?
C2 P1 Cu1 N2 . . . . -119.20(13) ?
C1 P1 Cu1 N2 . . . . 107.94(11) ?
C10 P1 Cu1 B2 . . . . 155.04(19) ?
C2 P1 Cu1 B2 . . . . 38.5(2) ?
C1 P1 Cu1 B2 . . . . -94.4(2) ?
C10 P1 Cu1 B1 . . . . -122.04(16) ?
C2 P1 Cu1 B1 . . . . 121.40(18) ?
C1 P1 Cu1 B1 . . . . -11.45(17) ?
C10 P1 Cu1 Cu2 . . . . -155.44(9) ?
C2 P1 Cu1 Cu2 . . . . 87.99(11) ?
C1 P1 Cu1 Cu2 . . . . -44.86(10) ?
C11 N2 Cu1 P1 . . . . 5.05(17) ?
C17 N2 Cu1 P1 . . . . -117.6(2) ?
C16 N2 Cu1 P1 . . . . 124.9(2) ?
C11 N2 Cu1 B2 . . . . -160.64(18) ?
C17 N2 Cu1 B2 . . . . 76.7(2) ?
C16 N2 Cu1 B2 . . . . -40.8(2) ?
C11 N2 Cu1 B1 . . . . 149.93(18) ?
C17 N2 Cu1 B1 . . . . 27.3(2) ?
C16 N2 Cu1 B1 . . . . -90.2(2) ?
C11 N2 Cu1 Cu2 . . . . 82.4(2) ?
C17 N2 Cu1 Cu2 . . . . -40.3(3) ?
C16 N2 Cu1 Cu2 . . . . -157.77(16) ?
B1 B2 Cu1 P1 . . . . 120.59(18) ?
B6 B2 Cu1 P1 . . . . -141.8(3) ?
B7 B2 Cu1 P1 . . . . 25.1(6) ?
B5 B2 Cu1 P1 . . . . 168.42(13) ?
B3 B2 Cu1 P1 . . . . 76.6(2) ?
B1 B2 Cu1 N2 . . . . -86.35(18) ?
B6 B2 Cu1 N2 . . . . 11.3(5) ?
B7 B2 Cu1 N2 . . . . 178.2(4) ?
B5 B2 Cu1 N2 . . . . -38.5(2) ?
B3 B2 Cu1 N2 . . . . -130.36(17) ?
B6 B2 Cu1 B1 . . . . 97.6(4) ?
B7 B2 Cu1 B1 . . . . -95.5(5) ?
B5 B2 Cu1 B1 . . . . 47.83(19) ?
B3 B2 Cu1 B1 . . . . -44.01(19) ?
B1 B2 Cu1 Cu2 . . . . 67.68(15) ?
B6 B2 Cu1 Cu2 . . . . 165.3(4) ?
B7 B2 Cu1 Cu2 . . . . -27.8(4) ?
B5 B2 Cu1 Cu2 . . . . 115.51(18) ?
B3 B2 Cu1 Cu2 . . . . 23.67(15) ?
B4 B1 Cu1 P1 . . . . -144.0(8) ?
B3 B1 Cu1 P1 . . . . -79.8(2) ?
B5 B1 Cu1 P1 . . . . 175.97(13) ?
B2 B1 Cu1 P1 . . . . -130.81(15) ?
Cu2 B1 Cu1 P1 . . . . -38.59(15) ?
B4 B1 Cu1 N2 . . . . 103.9(9) ?
B3 B1 Cu1 N2 . . . . 168.19(17) ?
B5 B1 Cu1 N2 . . . . 63.9(2) ?
B2 B1 Cu1 N2 . . . . 117.15(16) ?
Cu2 B1 Cu1 N2 . . . . -150.63(7) ?
B4 B1 Cu1 B2 . . . . -13.2(9) ?
B3 B1 Cu1 B2 . . . . 51.0(2) ?
B5 B1 Cu1 B2 . . . . -53.2(2) ?
Cu2 B1 Cu1 B2 . . . . 92.22(16) ?
B4 B1 Cu1 Cu2 . . . . -105.5(9) ?
B3 B1 Cu1 Cu2 . . . . -41.18(16) ?
B5 B1 Cu1 Cu2 . . . . -145.4(2) ?
B2 B1 Cu1 Cu2 . . . . -92.22(16) ?
C18 P2 Cu2 B3 . . . . 151.5(3) ?
C26 P2 Cu2 B3 . . . . 29.8(3) ?
C1 P2 Cu2 B3 . . . . -98.3(3) ?
C18 P2 Cu2 N3 . . . . -4.30(12) ?
C26 P2 Cu2 N3 . . . . -126.03(13) ?
C1 P2 Cu2 N3 . . . . 105.93(12) ?
C18 P2 Cu2 B1 . . . . -162.90(14) ?
C26 P2 Cu2 B1 . . . . 75.36(16) ?
C1 P2 Cu2 B1 . . . . -52.67(15) ?
C18 P2 Cu2 Cu1 . . . . -116.43(10) ?
C26 P2 Cu2 Cu1 . . . . 121.83(12) ?
C1 P2 Cu2 Cu1 . . . . -6.20(10) ?
B1 B3 Cu2 P2 . . . . 60.1(4) ?
B8 B3 Cu2 P2 . . . . -95.9(9) ?
B7 B3 Cu2 P2 . . . . 170.16(18) ?
B4 B3 Cu2 P2 . . . . 27.1(5) ?
B2 B3 Cu2 P2 . . . . 116.6(3) ?
B1 B3 Cu2 N3 . . . . -146.25(15) ?
B8 B3 Cu2 N3 . . . . 57.7(9) ?
B7 B3 Cu2 N3 . . . . -36.2(3) ?
B4 B3 Cu2 N3 . . . . -179.3(2) ?
B2 B3 Cu2 N3 . . . . -89.77(16) ?
B8 B3 Cu2 B1 . . . . -156.0(9) ?
B7 B3 Cu2 B1 . . . . 110.0(3) ?
B4 B3 Cu2 B1 . . . . -33.0(2) ?
B2 B3 Cu2 B1 . . . . 56.48(18) ?
B1 B3 Cu2 Cu1 . . . . -34.52(15) ?
B8 B3 Cu2 Cu1 . . . . 169.5(9) ?
B7 B3 Cu2 Cu1 . . . . 75.5(2) ?
B4 B3 Cu2 Cu1 . . . . -67.5(3) ?
B2 B3 Cu2 Cu1 . . . . 21.96(13) ?
C19 N3 Cu2 P2 . . . . 2.60(18) ?
C24 N3 Cu2 P2 . . . . 118.85(16) ?
C25 N3 Cu2 P2 . . . . -123.58(18) ?
C19 N3 Cu2 B3 . . . . -168.68(19) ?
C24 N3 Cu2 B3 . . . . -52.4(2) ?
C25 N3 Cu2 B3 . . . . 65.1(2) ?
C19 N3 Cu2 B1 . . . . 152.9(2) ?
C24 N3 Cu2 B1 . . . . -90.8(2) ?
C25 N3 Cu2 B1 . . . . 26.8(3) ?
C19 N3 Cu2 Cu1 . . . . 99.01(18) ?
C24 N3 Cu2 Cu1 . . . . -144.73(15) ?
C25 N3 Cu2 Cu1 . . . . -27.16(19) ?
B4 B1 Cu2 P2 . . . . -127.88(18) ?
B3 B1 Cu2 P2 . . . . -158.61(14) ?
B5 B1 Cu2 P2 . . . . 150.5(4) ?
B2 B1 Cu2 P2 . . . . 135.46(14) ?
Cu1 B1 Cu2 P2 . . . . 67.99(10) ?
B4 B1 Cu2 B3 . . . . 30.7(2) ?
B5 B1 Cu2 B3 . . . . -50.9(4) ?
B2 B1 Cu2 B3 . . . . -65.9(2) ?
Cu1 B1 Cu2 B3 . . . . -133.40(18) ?
B4 B1 Cu2 N3 . . . . 89.7(3) ?
B3 B1 Cu2 N3 . . . . 59.0(2) ?
B5 B1 Cu2 N3 . . . . 8.0(5) ?
B2 B1 Cu2 N3 . . . . -7.0(3) ?
Cu1 B1 Cu2 N3 . . . . -74.44(17) ?
B4 B1 Cu2 Cu1 . . . . 164.1(2) ?
B3 B1 Cu2 Cu1 . . . . 133.40(18) ?
B5 B1 Cu2 Cu1 . . . . 82.5(4) ?
B2 B1 Cu2 Cu1 . . . . 67.47(16) ?
P1 Cu1 Cu2 P2 . . . . 26.39(3) ?
N2 Cu1 Cu2 P2 . . . . -51.00(15) ?
B2 Cu1 Cu2 P2 . . . . -179.41(10) ?
B1 Cu1 Cu2 P2 . . . . -130.83(9) ?
P1 Cu1 Cu2 B3 . . . . -173.62(9) ?
N2 Cu1 Cu2 B3 . . . . 108.99(17) ?
B2 Cu1 Cu2 B3 . . . . -19.42(12) ?
B1 Cu1 Cu2 B3 . . . . 29.16(12) ?
P1 Cu1 Cu2 N3 . . . . -61.22(6) ?
N2 Cu1 Cu2 N3 . . . . -138.61(16) ?
B2 Cu1 Cu2 N3 . . . . 92.98(11) ?
B1 Cu1 Cu2 N3 . . . . 141.56(11) ?
P1 Cu1 Cu2 B1 . . . . 157.22(9) ?
N2 Cu1 Cu2 B1 . . . . 79.83(18) ?
B2 Cu1 Cu2 B1 . . . . -48.58(13) ?
C43 P3 Cu3 N5 . . . . -3.91(12) ?
C35 P3 Cu3 N5 . . . . -120.98(13) ?
C34 P3 Cu3 N5 . . . . 106.51(12) ?
C43 P3 Cu3 B12 . . . . 154.4(2) ?
C35 P3 Cu3 B12 . . . . 37.3(2) ?
C34 P3 Cu3 B12 . . . . -95.2(2) ?
C43 P3 Cu3 B11 . . . . -122.11(18) ?
C35 P3 Cu3 B11 . . . . 120.81(19) ?
C34 P3 Cu3 B11 . . . . -11.69(19) ?
C43 P3 Cu3 Cu4 . . . . -155.60(10) ?
C35 P3 Cu3 Cu4 . . . . 87.32(12) ?
C34 P3 Cu3 Cu4 . . . . -45.18(10) ?
C44 N5 Cu3 P3 . . . . 6.07(18) ?
C50 N5 Cu3 P3 . . . . -116.6(2) ?
C49 N5 Cu3 P3 . . . . 126.23(19) ?
C44 N5 Cu3 B12 . . . . -160.06(19) ?
C50 N5 Cu3 B12 . . . . 77.2(2) ?
C49 N5 Cu3 B12 . . . . -39.9(2) ?
C44 N5 Cu3 B11 . . . . 151.34(19) ?
C50 N5 Cu3 B11 . . . . 28.6(2) ?
C49 N5 Cu3 B11 . . . . -88.5(2) ?
C44 N5 Cu3 Cu4 . . . . 84.4(2) ?
C50 N5 Cu3 Cu4 . . . . -38.3(3) ?
C49 N5 Cu3 Cu4 . . . . -155.39(16) ?
B11 B12 Cu3 P3 . . . . 121.49(18) ?
B16 B12 Cu3 P3 . . . . -140.1(4) ?
B17 B12 Cu3 P3 . . . . 25.2(6) ?
B15 B12 Cu3 P3 . . . . 169.40(13) ?
B13 B12 Cu3 P3 . . . . 77.0(3) ?
B11 B12 Cu3 N5 . . . . -84.74(18) ?
B16 B12 Cu3 N5 . . . . 13.7(5) ?
B17 B12 Cu3 N5 . . . . 178.9(4) ?
B15 B12 Cu3 N5 . . . . -36.8(2) ?
B13 B12 Cu3 N5 . . . . -129.27(17) ?
B16 B12 Cu3 B11 . . . . 98.4(5) ?
B17 B12 Cu3 B11 . . . . -96.3(5) ?
B15 B12 Cu3 B11 . . . . 47.9(2) ?
B13 B12 Cu3 B11 . . . . -44.53(18) ?
B11 B12 Cu3 Cu4 . . . . 67.93(14) ?
B16 B12 Cu3 Cu4 . . . . 166.4(5) ?
B17 B12 Cu3 Cu4 . . . . -28.4(5) ?
B15 B12 Cu3 Cu4 . . . . 115.84(19) ?
B13 B12 Cu3 Cu4 . . . . 23.41(15) ?
B12 B11 Cu3 P3 . . . . -130.77(16) ?
B14 B11 Cu3 P3 . . . . -140.7(8) ?
B15 B11 Cu3 P3 . . . . 176.11(14) ?
B13 B11 Cu3 P3 . . . . -79.2(2) ?
Cu4 B11 Cu3 P3 . . . . -38.68(16) ?
B12 B11 Cu3 N5 . . . . 118.21(16) ?
B14 B11 Cu3 N5 . . . . 108.3(9) ?
B15 B11 Cu3 N5 . . . . 65.1(2) ?
B13 B11 Cu3 N5 . . . . 169.75(18) ?
Cu4 B11 Cu3 N5 . . . . -149.71(7) ?
B14 B11 Cu3 B12 . . . . -9.9(8) ?
B15 B11 Cu3 B12 . . . . -53.1(2) ?
B13 B11 Cu3 B12 . . . . 51.5(2) ?
Cu4 B11 Cu3 B12 . . . . 92.09(16) ?
B12 B11 Cu3 Cu4 . . . . -92.09(16) ?
B14 B11 Cu3 Cu4 . . . . -102.0(9) ?
B15 B11 Cu3 Cu4 . . . . -145.2(2) ?
B13 B11 Cu3 Cu4 . . . . -40.55(16) ?
B11 B13 Cu4 P4 . . . . 58.0(4) ?
B18 B13 Cu4 P4 . . . . -99.4(9) ?
B17 B13 Cu4 P4 . . . . 167.90(19) ?
B14 B13 Cu4 P4 . . . . 24.1(5) ?
B12 B13 Cu4 P4 . . . . 114.0(3) ?
B11 B13 Cu4 N7 . . . . -147.42(15) ?
B18 B13 Cu4 N7 . . . . 55.3(9) ?
B17 B13 Cu4 N7 . . . . -37.5(3) ?
B14 B13 Cu4 N7 . . . . 178.8(2) ?
B12 B13 Cu4 N7 . . . . -91.41(17) ?
B18 B13 Cu4 B11 . . . . -157.3(10) ?
B17 B13 Cu4 B11 . . . . 109.9(3) ?
B14 B13 Cu4 B11 . . . . -33.8(2) ?
B12 B13 Cu4 B11 . . . . 56.01(19) ?
B11 B13 Cu4 Cu3 . . . . -34.12(15) ?
B18 B13 Cu4 Cu3 . . . . 168.6(9) ?
B17 B13 Cu4 Cu3 . . . . 75.8(2) ?
B14 B13 Cu4 Cu3 . . . . -68.0(3) ?
B12 B13 Cu4 Cu3 . . . . 21.89(15) ?
C59 P4 Cu4 B13 . . . . 34.7(3) ?
C51 P4 Cu4 B13 . . . . 153.4(3) ?
C34 P4 Cu4 B13 . . . . -96.2(3) ?
C59 P4 Cu4 N7 . . . . -121.94(13) ?
C51 P4 Cu4 N7 . . . . -3.19(11) ?
C34 P4 Cu4 N7 . . . . 107.21(12) ?
C59 P4 Cu4 B11 . . . . 78.61(15) ?
C51 P4 Cu4 B11 . . . . -162.64(14) ?
C34 P4 Cu4 B11 . . . . -52.23(15) ?
C59 P4 Cu4 Cu3 . . . . 124.34(11) ?
C51 P4 Cu4 Cu3 . . . . -116.90(10) ?
C34 P4 Cu4 Cu3 . . . . -6.50(10) ?
C52 N7 Cu4 B13 . . . . -168.67(19) ?
C58 N7 Cu4 B13 . . . . 66.0(2) ?
C57 N7 Cu4 B13 . . . . -50.7(2) ?
C52 N7 Cu4 P4 . . . . 2.91(17) ?
C58 N7 Cu4 P4 . . . . -122.43(19) ?
C57 N7 Cu4 P4 . . . . 120.91(17) ?
C52 N7 Cu4 B11 . . . . 154.1(2) ?
C58 N7 Cu4 B11 . . . . 28.8(3) ?
C57 N7 Cu4 B11 . . . . -87.9(2) ?
C52 N7 Cu4 Cu3 . . . . 98.60(17) ?
C58 N7 Cu4 Cu3 . . . . -26.7(2) ?
C57 N7 Cu4 Cu3 . . . . -143.41(16) ?
B12 B11 Cu4 B13 . . . . -65.9(2) ?
B14 B11 Cu4 B13 . . . . 30.5(2) ?
B15 B11 Cu4 B13 . . . . -50.2(4) ?
Cu3 B11 Cu4 B13 . . . . -133.9(2) ?
B12 B11 Cu4 P4 . . . . 134.84(16) ?
B14 B11 Cu4 P4 . . . . -128.72(19) ?
B15 B11 Cu4 P4 . . . . 150.6(4) ?
B13 B11 Cu4 P4 . . . . -159.24(15) ?
Cu3 B11 Cu4 P4 . . . . 66.89(11) ?
B12 B11 Cu4 N7 . . . . -9.0(3) ?
B14 B11 Cu4 N7 . . . . 87.4(3) ?
B15 B11 Cu4 N7 . . . . 6.7(5) ?
B13 B11 Cu4 N7 . . . . 56.9(2) ?
Cu3 B11 Cu4 N7 . . . . -77.00(18) ?
B12 B11 Cu4 Cu3 . . . . 67.95(17) ?
B14 B11 Cu4 Cu3 . . . . 164.4(3) ?
B15 B11 Cu4 Cu3 . . . . 83.7(4) ?
B13 B11 Cu4 Cu3 . . . . 133.9(2) ?
P3 Cu3 Cu4 B13 . . . . -173.45(9) ?
N5 Cu3 Cu4 B13 . . . . 108.37(16) ?
B12 Cu3 Cu4 B13 . . . . -19.29(13) ?
B11 Cu3 Cu4 B13 . . . . 28.96(13) ?
P3 Cu3 Cu4 P4 . . . . 26.61(3) ?
N5 Cu3 Cu4 P4 . . . . -51.58(14) ?
B12 Cu3 Cu4 P4 . . . . -179.23(10) ?
B11 Cu3 Cu4 P4 . . . . -130.98(10) ?
P3 Cu3 Cu4 N7 . . . . -61.74(7) ?
N5 Cu3 Cu4 N7 . . . . -139.92(15) ?
B12 Cu3 Cu4 N7 . . . . 92.42(12) ?
B11 Cu3 Cu4 N7 . . . . 140.67(12) ?
P3 Cu3 Cu4 B11 . . . . 157.59(10) ?
N5 Cu3 Cu4 B11 . . . . 79.41(17) ?
B12 Cu3 Cu4 B11 . . . . -48.25(14) ?

_database_code_depnum_ccdc_archive 'CCDC 992550'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_I
_chemical_name_systematic        ?
_chemical_name_common            JW16a
_chemical_formula_moiety         'C33 H52 B10 Cu2 Ge2 N4 P2, C4 H10 O'
_chemical_formula_sum            'C37 H62 B10 Cu2 Ge2 N4 O P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1021.21

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.4078(3)
_cell_length_b                   21.7301(5)
_cell_length_c                   18.9365(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.2350(10)
_cell_angle_gamma                90
_cell_volume                     4674.64(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    148
_cell_measurement_theta_min      2.1271
_cell_measurement_theta_max      22.9282
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear intense yellow'
_exptl_crystal_size_max          0.760
_exptl_crystal_size_mid          0.088
_exptl_crystal_size_min          0.080
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2088

_exptl_absorpt_coefficient_mu    2.275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.6111
_exptl_absorpt_correction_T_max  0.7455

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   ?
_diffrn_source_type              'fine-focus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            109106
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         27.33
_diffrn_reflns_theta_full        27.33
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             10502
_reflns_number_gt                8624
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_gt          0.0987
_refine_ls_wR_factor_ref         0.1077
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.061
_refine_ls_number_reflns         10502
_refine_ls_number_parameters     544
_refine_ls_number_restraints     75
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0536P)²+8.8430P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.183
_refine_diff_density_min         -0.871
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8299(2) 0.27694(13) 0.02099(15) 0.0171(5) Uani d . 1 . .
H H1A 0.8778 0.285 0.0663 0.021 Uiso calc R 1 . .
H H1B 0.8081 0.3173 -0.0008 0.021 Uiso calc R 1 . .
C C2 0.7353(3) 0.18878(14) 0.11721(15) 0.0192(6) Uani d . 1 . .
C C3 0.6837(3) 0.13072(14) 0.11885(16) 0.0223(6) Uani d . 1 . .
C C4 0.7141(3) 0.09062(15) 0.17534(17) 0.0290(7) Uani d . 1 . .
H H4 0.6796 0.0509 0.1761 0.035 Uiso calc R 1 . .
C C5 0.7953(3) 0.10934(17) 0.23044(18) 0.0339(8) Uani d . 1 . .
H H5 0.8175 0.0818 0.2682 0.041 Uiso calc R 1 . .
C C6 0.8442(3) 0.16757(17) 0.23088(18) 0.0314(7) Uani d . 1 . .
H H6 0.8981 0.1804 0.2693 0.038 Uiso calc R 1 . .
C C7 0.8136(3) 0.20705(15) 0.17455(16) 0.0239(6) Uani d . 1 . .
H H7 0.8465 0.2472 0.1749 0.029 Uiso calc R 1 . .
C C8 0.4850(3) 0.09396(19) 0.0874(2) 0.0394(9) Uani d . 1 . .
H H8A 0.4295 0.0809 0.0476 0.059 Uiso calc R 1 . .
H H8B 0.4526 0.1294 0.111 0.059 Uiso calc R 1 . .
H H8C 0.4978 0.06 0.1213 0.059 Uiso calc R 1 . .
C C9 0.6461(4) 0.05760(16) 0.02404(19) 0.0394(9) Uani d . 1 . .
H H9A 0.5891 0.0444 -0.0149 0.059 Uiso calc R 1 . .
H H9B 0.6606 0.0237 0.0578 0.059 Uiso calc R 1 . .
H H9C 0.7201 0.0692 0.0051 0.059 Uiso calc R 1 . .
C C10 0.6065(3) 0.29802(14) 0.07510(15) 0.0203(6) Uani d . 1 . .
C C11 0.4854(3) 0.29807(15) 0.05363(16) 0.0226(6) Uani d . 1 . .
C C12 0.4136(3) 0.34255(17) 0.08123(18) 0.0296(7) Uani d . 1 . .
H H12 0.3316 0.3428 0.0669 0.036 Uiso calc R 1 . .
C C13 0.4600(3) 0.38608(17) 0.1289(2) 0.0348(8) Uani d . 1 . .
H H13 0.4098 0.4153 0.1481 0.042 Uiso calc R 1 . .
C C14 0.5801(3) 0.38714(17) 0.1486(2) 0.0353(8) Uani d . 1 . .
H H14 0.6126 0.4179 0.1802 0.042 Uiso calc R 1 . .
C C15 0.6525(3) 0.34310(15) 0.12211(18) 0.0278(7) Uani d . 1 . .
H H15 0.7346 0.3437 0.1362 0.033 Uiso calc R 1 . .
C C16 0.3273(3) 0.2261(2) 0.0247(3) 0.0533(12) Uani d . 1 . .
H H16A 0.2958 0.1961 -0.0107 0.08 Uiso calc R 1 . .
H H16B 0.2691 0.2586 0.0294 0.08 Uiso calc R 1 . .
H H16C 0.3445 0.2054 0.0705 0.08 Uiso calc R 1 . .
C C17 0.4114(4) 0.2843(2) -0.0676(2) 0.0518(12) Uani d . 1 . .
H H17A 0.3786 0.2544 -0.1028 0.078 Uiso calc R 1 . .
H H17B 0.4843 0.3015 -0.083 0.078 Uiso calc R 1 . .
H H17C 0.3544 0.3175 -0.0631 0.078 Uiso calc R 1 . .
C C18 1.0128(2) 0.29812(14) -0.06410(16) 0.0204(6) Uani d . 1 . .
C C19 1.0209(3) 0.30827(14) -0.13624(17) 0.0233(6) Uani d . 1 . .
C C20 1.0787(3) 0.36084(16) -0.15773(19) 0.0341(8) Uani d . 1 . .
H H20 1.083 0.3685 -0.2068 0.041 Uiso calc R 1 . .
C C21 1.1295(4) 0.40150(18) -0.1083(2) 0.0446(10) Uani d . 1 . .
H H21 1.1676 0.4374 -0.1234 0.054 Uiso calc R 1 . .
C C22 1.1251(4) 0.39026(18) -0.0361(2) 0.0421(9) Uani d . 1 . .
H H22 1.1623 0.4176 -0.0019 0.051 Uiso calc R 1 . .
C C23 1.0665(3) 0.33908(16) -0.01475(18) 0.0294(7) Uani d . 1 . .
H H23 1.0626 0.3316 0.0344 0.035 Uiso calc R 1 . .
C C24 1.0380(4) 0.2521(2) -0.2458(2) 0.0465(10) Uani d . 1 . .
H H24A 0.996 0.2242 -0.28 0.07 Uiso calc R 1 . .
H H24B 1.1106 0.2323 -0.2254 0.07 Uiso calc R 1 . .
H H24C 1.0576 0.2902 -0.2698 0.07 Uiso calc R 1 . .
C C25 0.8535(4) 0.2966(2) -0.2209(2) 0.0463(10) Uani d . 1 . .
H H25A 0.8135 0.2691 -0.2564 0.069 Uiso calc R 1 . .
H H25B 0.8736 0.3352 -0.2436 0.069 Uiso calc R 1 . .
H H25C 0.8013 0.3052 -0.1838 0.069 Uiso calc R 1 . .
C C26 1.0192(2) 0.18417(14) 0.01717(16) 0.0201(6) Uani d . 1 . .
C C27 1.0593(3) 0.13106(14) -0.01414(17) 0.0238(6) Uani d . 1 . .
C C28 1.1285(3) 0.08935(16) 0.0271(2) 0.0322(7) Uani d . 1 . .
H H28 1.1564 0.0532 0.0059 0.039 Uiso calc R 1 . .
C C29 1.1569(3) 0.09998(17) 0.0986(2) 0.0363(8) Uani d . 1 . .
H H29 1.203 0.0709 0.1263 0.044 Uiso calc R 1 . .
C C30 1.1188(3) 0.15239(18) 0.12948(19) 0.0340(8) Uani d . 1 . .
H H30 1.1387 0.1597 0.1786 0.041 Uiso calc R 1 . .
C C31 1.0507(3) 0.19505(16) 0.08885(17) 0.0276(7) Uani d . 1 . .
H H31 1.0258 0.2318 0.1102 0.033 Uiso calc R 1 . .
C C32 1.1385(3) 0.1305(2) -0.1282(2) 0.0433(10) Uani d . 1 . .
H H32A 1.1197 0.1232 -0.1791 0.065 Uiso calc R 1 . .
H H32B 1.2003 0.1019 -0.1098 0.065 Uiso calc R 1 . .
H H32C 1.1659 0.1729 -0.1206 0.065 Uiso calc R 1 . .
C C33 0.9867(4) 0.05751(17) -0.1052(3) 0.0499(11) Uani d . 1 . .
H H33A 0.9692 0.052 -0.1564 0.075 Uiso calc R 1 . .
H H33B 0.9147 0.0513 -0.0815 0.075 Uiso calc R 1 . .
H H33C 1.0463 0.0275 -0.0873 0.075 Uiso calc R 1 . .
C C100 0.8412(13) 0.4495(6) 0.0021(10) 0.110(4) Uani d PDU 0.5 A 1
H H10A 0.9023 0.4814 0.0043 0.165 Uiso calc PR 0.5 A 1
H H10B 0.8742 0.4115 0.0235 0.165 Uiso calc PR 0.5 A 1
H H10C 0.7757 0.4634 0.0283 0.165 Uiso calc PR 0.5 A 1
C C101 0.7981(10) 0.4380(5) -0.0725(8) 0.085(3) Uani d PDU 0.5 A 1
H H10D 0.7648 0.4766 -0.0937 0.102 Uiso calc PR 0.5 A 1
H H10E 0.8653 0.4259 -0.099 0.102 Uiso calc PR 0.5 A 1
O O1 0.7112(7) 0.3913(4) -0.0802(6) 0.059(3) Uani d PDU 0.5 A 1
C C102 0.5274(10) 0.4385(5) -0.1086(9) 0.110(4) Uani d PDU 0.5 A 1
H H10F 0.46 0.4416 -0.1444 0.165 Uiso calc PR 0.5 A 1
H H10G 0.5609 0.4795 -0.099 0.165 Uiso calc PR 0.5 A 1
H H10H 0.5016 0.4212 -0.0648 0.165 Uiso calc PR 0.5 A 1
C C103 0.6202(9) 0.3968(5) -0.1359(7) 0.085(3) Uani d PDU 0.5 A 1
H H10I 0.5863 0.3559 -0.1486 0.102 Uiso calc PR 0.5 A 1
H H10J 0.651 0.415 -0.1784 0.102 Uiso calc PR 0.5 A 1
O O2 0.7143(15) 0.4051(6) -0.0562(6) 0.104(5) Uani d PD 0.5 B 2
C C200 0.6600(16) 0.4855(6) 0.0186(7) 0.117(5) Uani d PD 0.5 B 2
H H20A 0.6871 0.5134 0.0574 0.175 Uiso calc PR 0.5 B 2
H H20B 0.5954 0.46 0.0331 0.175 Uiso calc PR 0.5 B 2
H H20C 0.6324 0.5095 -0.0234 0.175 Uiso calc PR 0.5 B 2
C C201 0.7670(13) 0.4418(5) 0.0003(5) 0.079(3) Uani d PD 0.5 B 2
H H20D 0.8333 0.4663 -0.0151 0.095 Uiso calc PR 0.5 B 2
H H20E 0.7956 0.4162 0.0415 0.095 Uiso calc PR 0.5 B 2
C C202 0.6269(17) 0.4095(8) -0.1737(7) 0.117(5) Uani d PD 0.5 B 2
H H20F 0.6392 0.4277 -0.2198 0.175 Uiso calc PR 0.5 B 2
H H20G 0.5519 0.4239 -0.1584 0.175 Uiso calc PR 0.5 B 2
H H20H 0.6253 0.3645 -0.178 0.175 Uiso calc PR 0.5 B 2
C C204 0.7219(13) 0.4275(5) -0.1221(6) 0.079(3) Uani d PD 0.5 B 2
H H20I 0.7971 0.4136 -0.139 0.095 Uiso calc PR 0.5 B 2
H H20J 0.724 0.473 -0.1195 0.095 Uiso calc PR 0.5 B 2
N N1 0.5982(2) 0.11130(13) 0.06061(14) 0.0260(6) Uani d . 1 . .
N N2 0.4370(2) 0.25334(14) 0.00196(15) 0.0291(6) Uani d . 1 . .
N N3 0.9630(2) 0.26654(13) -0.18888(14) 0.0288(6) Uani d . 1 . .
N N4 1.0317(2) 0.12048(13) -0.09068(15) 0.0283(6) Uani d . 1 . .
B B1 0.5619(3) 0.17965(16) -0.24452(18) 0.0201(7) Uani d . 1 . .
H H1 0.5621 0.2311 -0.2479 0.024 Uiso calc R 1 . .
B B2 0.6427(3) 0.13182(17) -0.30313(18) 0.0228(7) Uani d . 1 . .
H H2 0.6957 0.1537 -0.3433 0.027 Uiso calc R 1 . .
B B3 0.6829(3) 0.05709(17) -0.26035(19) 0.0236(7) Uani d . 1 . .
H H3 0.7623 0.0301 -0.2724 0.028 Uiso calc R 1 . .
B B4 0.6297(3) 0.05419(16) -0.17239(18) 0.0235(7) Uani d . 1 . .
H H4A 0.6738 0.025 -0.129 0.028 Uiso calc R 1 . .
B B5 0.4283(3) 0.13626(16) -0.22868(18) 0.0213(7) Uani d . 1 . .
H H5A 0.3441 0.1609 -0.2211 0.026 Uiso calc R 1 . .
B B6 0.4880(3) 0.13504(16) -0.31137(18) 0.0223(7) Uani d . 1 . .
H H6A 0.4412 0.1598 -0.3576 0.027 Uiso calc R 1 . .
B B7 0.5594(3) 0.06382(18) -0.32346(18) 0.0259(7) Uani d . 1 . .
H H7A 0.5605 0.0417 -0.3768 0.031 Uiso calc R 1 . .
B B8 0.5489(3) 0.01936(17) -0.24563(19) 0.0251(7) Uani d . 1 . .
H H8 0.5426 -0.0321 -0.2476 0.03 Uiso calc R 1 . .
B B9 0.4688(3) 0.06223(16) -0.18602(18) 0.0219(7) Uani d . 1 . .
H H9 0.4106 0.0385 -0.1499 0.026 Uiso calc R 1 . .
B B10 0.4285(3) 0.06629(17) -0.27814(18) 0.0243(7) Uani d . 1 . .
H H10 0.3436 0.0457 -0.3015 0.029 Uiso calc R 1 . .
P P1 0.69574(6) 0.23710(3) 0.04006(4) 0.01668(15) Uani d . 1 . .
P P2 0.92048(6) 0.23484(3) -0.03828(4) 0.01627(15) Uani d . 1 . .
Cu Cu1 0.56536(3) 0.181774(17) -0.02285(19) 0.02157(9) Uani d . 1 . .
Cu Cu2 0.89269(3) 0.183636(17) -0.138596(19) 0.02184(9) Uani d . 1 . .
Ge Ge1 0.54951(3) 0.14144(14) -0.135709(16) 0.01926(8) Uani d . 1 . .
Ge Ge2 0.73145(3) 0.137532(15) -0.199035(17) 0.02063(8) Uani d . 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 P1 . 1.822(3) ?
C1 P2 . 1.838(3) ?
C1 H1A . 0.99 ?
C1 H1B . 0.99 ?
C2 C3 . 1.394(4) ?
C2 C7 . 1.399(4) ?
C2 P1 . 1.822(3) ?
C3 C4 . 1.399(4) ?
C3 N1 . 1.466(4) ?
C4 C5 . 1.391(5) ?
C4 H4 . 0.95 ?
C5 C6 . 1.382(5) ?
C5 H5 . 0.95 ?
C6 C7 . 1.388(5) ?
C6 H6 . 0.95 ?
C7 H7 . 0.95 ?
C8 N1 . 1.479(4) ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 N1 . 1.486(4) ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C15 . 1.394(4) ?
C10 C11 . 1.404(4) ?
C10 P1 . 1.831(3) ?
C11 C12 . 1.398(4) ?
C11 N2 . 1.452(4) ?
C12 C13 . 1.379(5) ?
C12 H12 . 0.95 ?
C13 C14 . 1.387(5) ?
C13 H13 . 0.95 ?
C14 C15 . 1.388(5) ?
C14 H14 . 0.95 ?
C15 H15 . 0.95 ?
C16 N2 . 1.484(5) ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 N2 . 1.485(5) ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 C23 . 1.392(4) ?
C18 C19 . 1.395(4) ?
C18 P2 . 1.825(3) ?
C19 C20 . 1.398(4) ?
C19 N3 . 1.460(4) ?
C20 C21 . 1.376(5) ?
C20 H20 . 0.95 ?
C21 C22 . 1.394(6) ?
C21 H21 . 0.95 ?
C22 C23 . 1.377(5) ?
C22 H22 . 0.95 ?
C23 H23 . 0.95 ?
C24 N3 . 1.470(4) ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 N3 . 1.489(5) ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 C31 . 1.392(4) ?
C26 C27 . 1.393(4) ?
C26 P2 . 1.835(3) ?
C27 C28 . 1.394(5) ?
C27 N4 . 1.473(4) ?
C28 C29 . 1.381(5) ?
C28 H28 . 0.95 ?
C29 C30 . 1.369(5) ?
C29 H29 . 0.95 ?
C30 C31 . 1.394(5) ?
C30 H30 . 0.95 ?
C31 H31 . 0.95 ?
C32 N4 . 1.481(5) ?
C32 H32A . 0.98 ?
C32 H32B . 0.98 ?
C32 H32C . 0.98 ?
C33 N4 . 1.479(5) ?
C33 H33A . 0.98 ?
C33 H33B . 0.98 ?
C33 H33C . 0.98 ?
C100 C101 . 1.47(2) ?
C100 H10A . 0.98 ?
C100 H10B . 0.98 ?
C100 H10C . 0.98 ?
C101 O1 . 1.415(8) ?
C101 H10D . 0.99 ?
C101 H10E . 0.99 ?
O1 C103 . 1.416(8) ?
C102 C103 . 1.519(15) ?
C102 H10F . 0.98 ?
C102 H10G . 0.98 ?
C102 H10H . 0.98 ?
C103 H10I . 0.99 ?
C103 H10J . 0.99 ?
O2 C204 . 1.350(17) ?
O2 C201 . 1.423(7) ?
C200 C201 . 1.61(2) ?
C200 H20A . 0.98 ?
C200 H20B . 0.98 ?
C200 H20C . 0.98 ?
C201 H20D . 0.99 ?
C201 H20E . 0.99 ?
C202 C204 . 1.445(18) ?
C202 H20F . 0.98 ?
C202 H20G . 0.98 ?
C202 H20H . 0.98 ?
C204 H20I . 0.99 ?
C204 H20J . 0.99 ?
N1 Cu1 . 2.208(3) ?
N2 Cu1 . 2.216(3) ?
N3 Cu2 . 2.221(3) ?
N4 Cu2 . 2.227(3) ?
B1 B6 . 1.748(5) ?
B1 B2 . 1.830(5) ?
B1 B5 . 1.839(5) ?
B1 Ge1 . 2.238(3) ?
B1 Ge2 . 2.240(3) ?
B1 H1 . 1.12 ?
B2 B6 . 1.759(5) ?
B2 B7 . 1.780(5) ?
B2 B3 . 1.853(5) ?
B2 Ge2 . 2.136(3) ?
B2 H2 . 1.12 ?
B3 B7 . 1.769(5) ?
B3 B8 . 1.779(5) ?
B3 B4 . 1.825(5) ?
B3 Ge2 . 2.143(4) ?
B3 H3 . 1.12 ?
B4 B8 . 1.764(5) ?
B4 B9 . 1.839(5) ?
B4 Ge2 . 2.234(3) ?
B4 Ge1 . 2.243(4) ?
B4 H4A . 1.12 ?
B5 B6 . 1.764(5) ?
B5 B10 . 1.786(5) ?
B5 B9 . 1.840(5) ?
B5 Ge1 . 2.140(3) ?
B5 H5A . 1.12 ?
B6 B7 . 1.773(5) ?
B6 B10 . 1.779(5) ?
B6 H6A . 1.12 ?
B7 B8 . 1.775(5) ?
B7 B10 . 1.789(5) ?
B7 H7A . 1.12 ?
B8 B10 . 1.775(5) ?
B8 B9 . 1.779(5) ?
B8 H8 . 1.12 ?
B9 B10 . 1.765(5) ?
B9 Ge1 . 2.135(3) ?
B9 H9 . 1.12 ?
B10 H10 . 1.12 ?
P1 Cu1 . 2.1803(8) ?
P2 Cu2 . 2.1993(8) ?
Cu1 Ge1 . 2.3017(5) ?
Cu2 Ge2 . 2.3049(5) ?
Ge1 Ge2 . 2.4915(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 C1 P2 . . 114.44(15) ?
P1 C1 H1A . . 108.6 ?
P2 C1 H1A . . 108.6 ?
P1 C1 H1B . . 108.6 ?
P2 C1 H1B . . 108.6 ?
H1A C1 H1B . . 107.6 ?
C3 C2 C7 . . 118.7(3) ?
C3 C2 P1 . . 117.7(2) ?
C7 C2 P1 . . 123.5(2) ?
C2 C3 C4 . . 120.3(3) ?
C2 C3 N1 . . 119.8(3) ?
C4 C3 N1 . . 119.9(3) ?
C5 C4 C3 . . 119.6(3) ?
C5 C4 H4 . . 120.2 ?
C3 C4 H4 . . 120.2 ?
C6 C5 C4 . . 120.9(3) ?
C6 C5 H5 . . 119.6 ?
C4 C5 H5 . . 119.6 ?
C5 C6 C7 . . 119.2(3) ?
C5 C6 H6 . . 120.4 ?
C7 C6 H6 . . 120.4 ?
C6 C7 C2 . . 121.3(3) ?
C6 C7 H7 . . 119.4 ?
C2 C7 H7 . . 119.4 ?
N1 C8 H8A . . 109.5 ?
N1 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
N1 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
N1 C9 H9A . . 109.5 ?
N1 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
N1 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C15 C10 C11 . . 119.2(3) ?
C15 C10 P1 . . 123.4(2) ?
C11 C10 P1 . . 117.4(2) ?
C12 C11 C10 . . 119.1(3) ?
C12 C11 N2 . . 121.0(3) ?
C10 C11 N2 . . 119.9(3) ?
C13 C12 C11 . . 121.1(3) ?
C13 C12 H12 . . 119.5 ?
C11 C12 H12 . . 119.5 ?
C12 C13 C14 . . 119.9(3) ?
C12 C13 H13 . . 120.0 ?
C14 C13 H13 . . 120.0 ?
C13 C14 C15 . . 119.8(3) ?
C13 C14 H14 . . 120.1 ?
C15 C14 H14 . . 120.1 ?
C14 C15 C10 . . 120.9(3) ?
C14 C15 H15 . . 119.5 ?
C10 C15 H15 . . 119.5 ?
N2 C16 H16A . . 109.5 ?
N2 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
N2 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
N2 C17 H17A . . 109.5 ?
N2 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
N2 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C23 C18 C19 . . 119.5(3) ?
C23 C18 P2 . . 122.1(2) ?
C19 C18 P2 . . 118.2(2) ?
C18 C19 C20 . . 119.3(3) ?
C18 C19 N3 . . 120.2(3) ?
C20 C19 N3 . . 120.3(3) ?
C21 C20 C19 . . 120.4(3) ?
C21 C20 H20 . . 119.8 ?
C19 C20 H20 . . 119.8 ?
C20 C21 C22 . . 120.3(3) ?
C20 C21 H21 . . 119.8 ?
C22 C21 H21 . . 119.8 ?
C23 C22 C21 . . 119.4(3) ?
C23 C22 H22 . . 120.3 ?
C21 C22 H22 . . 120.3 ?
C22 C23 C18 . . 121.0(3) ?
C22 C23 H23 . . 119.5 ?
C18 C23 H23 . . 119.5 ?
N3 C24 H24A . . 109.5 ?
N3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
N3 C25 H25A . . 109.5 ?
N3 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
N3 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C31 C26 C27 . . 119.3(3) ?
C31 C26 P2 . . 123.1(2) ?
C27 C26 P2 . . 117.5(2) ?
C26 C27 C28 . . 119.4(3) ?
C26 C27 N4 . . 119.9(3) ?
C28 C27 N4 . . 120.6(3) ?
C29 C28 C27 . . 120.7(3) ?
C29 C28 H28 . . 119.6 ?
C27 C28 H28 . . 119.6 ?
C30 C29 C28 . . 120.1(3) ?
C30 C29 H29 . . 119.9 ?
C28 C29 H29 . . 119.9 ?
C29 C30 C31 . . 120.0(3) ?
C29 C30 H30 . . 120.0 ?
C31 C30 H30 . . 120.0 ?
C26 C31 C30 . . 120.4(3) ?
C26 C31 H31 . . 119.8 ?
C30 C31 H31 . . 119.8 ?
N4 C32 H32A . . 109.5 ?
N4 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
N4 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
N4 C33 H33A . . 109.5 ?
N4 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
N4 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
C101 C100 H10A . . 109.5 ?
C101 C100 H10B . . 109.5 ?
H10A C100 H10B . . 109.5 ?
C101 C100 H10C . . 109.5 ?
H10A C100 H10C . . 109.5 ?
H10B C100 H10C . . 109.5 ?
O1 C101 C100 . . 112.9(11) ?
O1 C101 H10D . . 109.0 ?
C100 C101 H10D . . 109.0 ?
O1 C101 H10E . . 109.0 ?
C100 C101 H10E . . 109.0 ?
H10D C101 H10E . . 107.8 ?
C101 O1 C103 . . 118.4(8) ?
C103 C102 H10F . . 109.5 ?
C103 C102 H10G . . 109.5 ?
H10F C102 H10G . . 109.5 ?
C103 C102 H10H . . 109.5 ?
H10F C102 H10H . . 109.5 ?
H10G C102 H10H . . 109.5 ?
O1 C103 C102 . . 106.4(10) ?
O1 C103 H10I . . 110.4 ?
C102 C103 H10I . . 110.4 ?
O1 C103 H10J . . 110.4 ?
C102 C103 H10J . . 110.4 ?
H10I C103 H10J . . 108.6 ?
C204 O2 C201 . . 115.7(13) ?
C201 C200 H20A . . 109.5 ?
C201 C200 H20B . . 109.5 ?
H20A C200 H20B . . 109.5 ?
C201 C200 H20C . . 109.5 ?
H20A C200 H20C . . 109.5 ?
H20B C200 H20C . . 109.5 ?
O2 C201 C200 . . 102.5(11) ?
O2 C201 H20D . . 111.3 ?
C200 C201 H20D . . 111.3 ?
O2 C201 H20E . . 111.3 ?
C200 C201 H20E . . 111.3 ?
H20D C201 H20E . . 109.2 ?
C204 C202 H20F . . 109.5 ?
C204 C202 H20G . . 109.5 ?
H20F C202 H20G . . 109.5 ?
C204 C202 H20H . . 109.5 ?
H20F C202 H20H . . 109.5 ?
H20G C202 H20H . . 109.5 ?
O2 C204 C202 . . 114.9(13) ?
O2 C204 H20I . . 108.6 ?
C202 C204 H20I . . 108.6 ?
O2 C204 H20J . . 108.6 ?
C202 C204 H20J . . 108.6 ?
H20I C204 H20J . . 107.5 ?
C3 N1 C8 . . 110.9(3) ?
C3 N1 C9 . . 109.2(3) ?
C8 N1 C9 . . 109.2(3) ?
C3 N1 Cu1 . . 113.38(19) ?
C8 N1 Cu1 . . 109.0(2) ?
C9 N1 Cu1 . . 104.87(19) ?
C11 N2 C16 . . 110.5(3) ?
C11 N2 C17 . . 109.0(3) ?
C16 N2 C17 . . 109.7(3) ?
C11 N2 Cu1 . . 113.24(19) ?
C16 N2 Cu1 . . 111.9(2) ?
C17 N2 Cu1 . . 102.1(2) ?
C19 N3 C24 . . 112.0(3) ?
C19 N3 C25 . . 108.4(3) ?
C24 N3 C25 . . 108.5(3) ?
C19 N3 Cu2 . . 111.69(19) ?
C24 N3 Cu2 . . 113.5(2) ?
C25 N3 Cu2 . . 102.0(2) ?
C27 N4 C33 . . 111.5(3) ?
C27 N4 C32 . . 109.8(3) ?
C33 N4 C32 . . 109.5(3) ?
C27 N4 Cu2 . . 112.63(19) ?
C33 N4 Cu2 . . 105.8(2) ?
C32 N4 Cu2 . . 107.5(2) ?
B6 B1 B2 . . 58.82(19) ?
B6 B1 B5 . . 58.83(19) ?
B2 B1 B5 . . 106.2(2) ?
B6 B1 Ge1 . . 113.2(2) ?
B2 B1 Ge1 . . 115.2(2) ?
B5 B1 Ge1 . . 62.41(14) ?
B6 B1 Ge2 . . 113.2(2) ?
B2 B1 Ge2 . . 62.34(15) ?
B5 B1 Ge2 . . 115.26(19) ?
Ge1 B1 Ge2 . . 67.61(10) ?
B6 B1 H1 . . 121.0 ?
B2 B1 H1 . . 121.9 ?
B5 B1 H1 . . 121.8 ?
Ge1 B1 H1 . . 115.1 ?
Ge2 B1 H1 . . 115.1 ?
B6 B2 B7 . . 60.1(2) ?
B6 B2 B1 . . 58.27(19) ?
B7 B2 B1 . . 108.3(2) ?
B6 B2 B3 . . 106.2(2) ?
B7 B2 B3 . . 58.21(19) ?
B1 B2 B3 . . 110.5(2) ?
B6 B2 Ge2 . . 117.8(2) ?
B7 B2 Ge2 . . 116.5(2) ?
B1 B2 Ge2 . . 68.28(15) ?
B3 B2 Ge2 . . 64.54(15) ?
B6 B2 H2 . . 121.5 ?
B7 B2 H2 . . 121.1 ?
B1 B2 H2 . . 120.2 ?
B3 B2 H2 . . 122.8 ?
Ge2 B2 H2 . . 111.2 ?
B7 B3 B8 . . 60.1(2) ?
B7 B3 B4 . . 108.0(2) ?
B8 B3 B4 . . 58.60(19) ?
B7 B3 B2 . . 58.8(2) ?
B8 B3 B2 . . 106.9(2) ?
B4 B3 B2 . . 109.9(2) ?
B7 B3 Ge2 . . 116.7(2) ?
B8 B3 Ge2 . . 118.3(2) ?
B4 B3 Ge2 . . 67.96(16) ?
B2 B3 Ge2 . . 64.12(16) ?
B7 B3 H3 . . 121.0 ?
B8 B3 H3 . . 120.9 ?
B4 B3 H3 . . 120.7 ?
B2 B3 H3 . . 122.8 ?
Ge2 B3 H3 . . 111.3 ?
B8 B4 B3 . . 59.40(19) ?
B8 B4 B9 . . 59.13(19) ?
B3 B4 B9 . . 106.2(2) ?
B8 B4 Ge2 . . 114.5(2) ?
B3 B4 Ge2 . . 62.80(15) ?
B9 B4 Ge2 . . 115.1(2) ?
B8 B4 Ge1 . . 114.0(2) ?
B3 B4 Ge1 . . 115.6(2) ?
B9 B4 Ge1 . . 62.15(15) ?
Ge2 B4 Ge1 . . 67.64(10) ?
B8 B4 H4A . . 120.1 ?
B3 B4 H4A . . 121.6 ?
B9 B4 H4A . . 122.2 ?
Ge2 B4 H4A . . 114.6 ?
Ge1 B4 H4A . . 114.9 ?
B6 B5 B10 . . 60.2(2) ?
B6 B5 B1 . . 58.02(19) ?
B10 B5 B1 . . 108.1(2) ?
B6 B5 B9 . . 106.0(2) ?
B10 B5 B9 . . 58.24(19) ?
B1 B5 B9 . . 110.0(2) ?
B6 B5 Ge1 . . 117.3(2) ?
B10 B5 Ge1 . . 116.4(2) ?
B1 B5 Ge1 . . 67.97(15) ?
B9 B5 Ge1 . . 64.37(15) ?
B6 B5 H5A . . 121.7 ?
B10 B5 H5A . . 121.0 ?
B1 B5 H5A . . 120.6 ?
B9 B5 H5A . . 123.0 ?
Ge1 B5 H5A . . 111.6 ?
B1 B6 B2 . . 62.9(2) ?
B1 B6 B5 . . 63.15(19) ?
B2 B6 B5 . . 112.8(2) ?
B1 B6 B7 . . 112.4(2) ?
B2 B6 B7 . . 60.5(2) ?
B5 B6 B7 . . 110.3(2) ?
B1 B6 B10 . . 112.6(2) ?
B2 B6 B10 . . 110.3(2) ?
B5 B6 B10 . . 60.53(19) ?
B7 B6 B10 . . 60.5(2) ?
B1 B6 H6A . . 117.6 ?
B2 B6 H6A . . 119.5 ?
B5 B6 H6A . . 119.4 ?
B7 B6 H6A . . 120.7 ?
B10 B6 H6A . . 120.6 ?
B3 B7 B6 . . 109.4(2) ?
B3 B7 B8 . . 60.3(2) ?
B6 B7 B8 . . 107.5(2) ?
B3 B7 B2 . . 63.0(2) ?
B6 B7 B2 . . 59.3(2) ?
B8 B7 B2 . . 110.3(2) ?
B3 B7 B10 . . 109.1(2) ?
B6 B7 B10 . . 59.9(2) ?
B8 B7 B10 . . 59.7(2) ?
B2 B7 B10 . . 108.9(2) ?
B3 B7 H7A . . 120.0 ?
B6 B7 H7A . . 122.2 ?
B8 B7 H7A . . 121.6 ?
B2 B7 H7A . . 120.0 ?
B10 B7 H7A . . 121.6 ?
B4 B8 B10 . . 111.0(3) ?
B4 B8 B7 . . 110.4(3) ?
B10 B8 B7 . . 60.5(2) ?
B4 B8 B9 . . 62.5(2) ?
B10 B8 B9 . . 59.6(2) ?
B7 B8 B9 . . 108.6(3) ?
B4 B8 B3 . . 62.0(2) ?
B10 B8 B3 . . 109.2(3) ?
B7 B8 B3 . . 59.7(2) ?
B9 B8 B3 . . 110.9(2) ?
B4 B8 H8 . . 118.8 ?
B10 B8 H8 . . 121.1 ?
B7 B8 H8 . . 121.6 ?
B9 B8 H8 . . 120.6 ?
B3 B8 H8 . . 120.5 ?
B10 B9 B8 . . 60.1(2) ?
B10 B9 B4 . . 108.1(2) ?
B8 B9 B4 . . 58.36(19) ?
B10 B9 B5 . . 59.3(2) ?
B8 B9 B5 . . 107.6(2) ?
B4 B9 B5 . . 110.6(2) ?
B10 B9 Ge1 . . 117.6(2) ?
B8 B9 Ge1 . . 118.7(2) ?
B4 B9 Ge1 . . 68.26(16) ?
B5 B9 Ge1 . . 64.64(15) ?
B10 B9 H9 . . 120.7 ?
B8 B9 H9 . . 120.9 ?
B4 B9 H9 . . 120.7 ?
B5 B9 H9 . . 122.1 ?
Ge1 B9 H9 . . 110.7 ?
B9 B10 B8 . . 60.3(2) ?
B9 B10 B6 . . 108.6(2) ?
B8 B10 B6 . . 107.3(2) ?
B9 B10 B5 . . 62.4(2) ?
B8 B10 B5 . . 110.2(2) ?
B6 B10 B5 . . 59.30(19) ?
B9 B10 B7 . . 108.6(2) ?
B8 B10 B7 . . 59.8(2) ?
B6 B10 B7 . . 59.6(2) ?
B5 B10 B7 . . 108.5(2) ?
B9 B10 H10 . . 120.5 ?
B8 B10 H10 . . 121.4 ?
B6 B10 H10 . . 122.6 ?
B5 B10 H10 . . 120.3 ?
B7 B10 H10 . . 121.9 ?
C2 P1 C1 . . 106.36(13) ?
C2 P1 C10 . . 103.37(13) ?
C1 P1 C10 . . 103.47(13) ?
C2 P1 Cu1 . . 103.12(10) ?
C1 P1 Cu1 . . 134.17(9) ?
C10 P1 Cu1 . . 102.87(10) ?
C18 P2 C26 . . 105.46(13) ?
C18 P2 C1 . . 99.14(13) ?
C26 P2 C1 . . 107.41(13) ?
C18 P2 Cu2 . . 101.01(10) ?
C26 P2 Cu2 . . 102.90(10) ?
C1 P2 Cu2 . . 137.27(9) ?
P1 Cu1 N1 . . 85.90(7) ?
P1 Cu1 N2 . . 85.89(7) ?
N1 Cu1 N2 . . 114.04(11) ?
P1 Cu1 Ge1 . . 135.17(3) ?
N1 Cu1 Ge1 . . 113.23(7) ?
N2 Cu1 Ge1 . . 117.82(7) ?
P2 Cu2 N3 . . 86.02(7) ?
P2 Cu2 N4 . . 85.34(7) ?
N3 Cu2 N4 . . 113.77(11) ?
P2 Cu2 Ge2 . . 133.98(3) ?
N3 Cu2 Ge2 . . 116.27(7) ?
N4 Cu2 Ge2 . . 116.16(7) ?
B9 Ge1 B5 . . 50.98(13) ?
B9 Ge1 B1 . . 87.08(13) ?
B5 Ge1 B1 . . 49.62(13) ?
B9 Ge1 B4 . . 49.59(13) ?
B5 Ge1 B4 . . 87.23(13) ?
B1 Ge1 B4 . . 88.10(13) ?
B9 Ge1 Cu1 . . 135.68(9) ?
B5 Ge1 Cu1 . . 140.73(9) ?
B1 Ge1 Cu1 . . 135.03(9) ?
B4 Ge1 Cu1 . . 127.57(9) ?
B9 Ge1 Ge2 . . 95.86(9) ?
B5 Ge1 Ge2 . . 96.09(9) ?
B1 Ge1 Ge2 . . 56.24(9) ?
B4 Ge1 Ge2 . . 56.01(9) ?
Cu1 Ge1 Ge2 . . 117.487(17) ?
B2 Ge2 B3 . . 51.34(14) ?
B2 Ge2 B4 . . 87.08(13) ?
B3 Ge2 B4 . . 49.24(13) ?
B2 Ge2 B1 . . 49.38(13) ?
B3 Ge2 B1 . . 87.33(13) ?
B4 Ge2 B1 . . 88.27(13) ?
B2 Ge2 Cu2 . . 140.63(10) ?
B3 Ge2 Cu2 . . 141.14(10) ?
B4 Ge2 Cu2 . . 130.38(9) ?
B1 Ge2 Cu2 . . 129.45(9) ?
B2 Ge2 Ge1 . . 95.78(9) ?
B3 Ge2 Ge1 . . 95.91(10) ?
B4 Ge2 Ge1 . . 56.36(9) ?
B1 Ge2 Ge1 . . 56.15(8) ?
Cu2 Ge2 Ge1 . . 114.098(17) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C7 C2 C3 C4 . . . . -2.9(4) ?
P1 C2 C3 C4 . . . . 177.5(2) ?
C7 C2 C3 N1 . . . . 177.9(3) ?
P1 C2 C3 N1 . . . . -1.7(4) ?
C2 C3 C4 C5 . . . . 0.8(5) ?
N1 C3 C4 C5 . . . . 180.0(3) ?
C3 C4 C5 C6 . . . . 1.5(5) ?
C4 C5 C6 C7 . . . . -1.6(5) ?
C5 C6 C7 C2 . . . . -0.6(5) ?
C3 C2 C7 C6 . . . . 2.9(5) ?
P1 C2 C7 C6 . . . . -177.5(3) ?
C15 C10 C11 C12 . . . . -1.4(5) ?
P1 C10 C11 C12 . . . . 177.7(2) ?
C15 C10 C11 N2 . . . . 176.9(3) ?
P1 C10 C11 N2 . . . . -3.9(4) ?
C10 C11 C12 C13 . . . . 0.1(5) ?
N2 C11 C12 C13 . . . . -178.2(3) ?
C11 C12 C13 C14 . . . . 1.7(6) ?
C12 C13 C14 C15 . . . . -2.1(6) ?
C13 C14 C15 C10 . . . . 0.7(6) ?
C11 C10 C15 C14 . . . . 1.0(5) ?
P1 C10 C15 C14 . . . . -178.1(3) ?
C23 C18 C19 C20 . . . . -2.7(5) ?
P2 C18 C19 C20 . . . . 172.0(3) ?
C23 C18 C19 N3 . . . . -178.7(3) ?
P2 C18 C19 N3 . . . . -4.0(4) ?
C18 C19 C20 C21 . . . . 1.5(5) ?
N3 C19 C20 C21 . . . . 177.5(3) ?
C19 C20 C21 C22 . . . . 0.9(6) ?
C20 C21 C22 C23 . . . . -2.0(7) ?
C21 C22 C23 C18 . . . . 0.8(6) ?
C19 C18 C23 C22 . . . . 1.6(5) ?
P2 C18 C23 C22 . . . . -172.9(3) ?
C31 C26 C27 C28 . . . . 1.1(4) ?
P2 C26 C27 C28 . . . . -176.1(2) ?
C31 C26 C27 N4 . . . . -176.9(3) ?
P2 C26 C27 N4 . . . . 6.0(4) ?
C26 C27 C28 C29 . . . . 0.5(5) ?
N4 C27 C28 C29 . . . . 178.4(3) ?
C27 C28 C29 C30 . . . . -1.1(5) ?
C28 C29 C30 C31 . . . . 0.2(6) ?
C27 C26 C31 C30 . . . . -1.9(5) ?
P2 C26 C31 C30 . . . . 175.0(3) ?
C29 C30 C31 C26 . . . . 1.3(5) ?
C100 C101 O1 C103 . . . . 146.1(13) ?
C101 O1 C103 C102 . . . . -83.7(14) ?
C204 O2 C201 C200 . . . . 90.5(16) ?
C201 O2 C204 C202 . . . . -151.3(14) ?
C2 C3 N1 C8 . . . . -123.3(3) ?
C4 C3 N1 C8 . . . . 57.5(4) ?
C2 C3 N1 C9 . . . . 116.3(3) ?
C4 C3 N1 C9 . . . . -62.9(4) ?
C2 C3 N1 Cu1 . . . . -0.3(4) ?
C4 C3 N1 Cu1 . . . . -179.4(2) ?
C12 C11 N2 C16 . . . . -46.7(4) ?
C10 C11 N2 C16 . . . . 135.0(3) ?
C12 C11 N2 C17 . . . . 74.0(4) ?
C10 C11 N2 C17 . . . . -104.3(3) ?
C12 C11 N2 Cu1 . . . . -173.1(2) ?
C10 C11 N2 Cu1 . . . . 8.6(4) ?
C18 C19 N3 C24 . . . . -137.5(3) ?
C20 C19 N3 C24 . . . . 46.5(4) ?
C18 C19 N3 C25 . . . . 102.7(3) ?
C20 C19 N3 C25 . . . . -73.2(4) ?
C18 C19 N3 Cu2 . . . . -8.9(4) ?
C20 C19 N3 Cu2 . . . . 175.1(3) ?
C26 C27 N4 C33 . . . . -132.1(3) ?
C28 C27 N4 C33 . . . . 50.0(4) ?
C26 C27 N4 C32 . . . . 106.4(3) ?
C28 C27 N4 C32 . . . . -71.5(4) ?
C26 C27 N4 Cu2 . . . . -13.3(3) ?
C28 C27 N4 Cu2 . . . . 168.8(2) ?
B5 B1 B2 B6 . . . . 36.4(2) ?
Ge1 B1 B2 B6 . . . . 103.0(2) ?
Ge2 B1 B2 B6 . . . . 146.8(2) ?
B6 B1 B2 B7 . . . . -34.8(2) ?
B5 B1 B2 B7 . . . . 1.5(3) ?
Ge1 B1 B2 B7 . . . . 68.2(3) ?
Ge2 B1 B2 B7 . . . . 112.0(2) ?
B6 B1 B2 B3 . . . . -96.9(3) ?
B5 B1 B2 B3 . . . . -60.5(3) ?
Ge1 B1 B2 B3 . . . . 6.1(3) ?
Ge2 B1 B2 B3 . . . . 49.97(19) ?
B6 B1 B2 Ge2 . . . . -146.8(2) ?
B5 B1 B2 Ge2 . . . . -110.5(2) ?
Ge1 B1 B2 Ge2 . . . . -43.83(16) ?
B6 B2 B3 B7 . . . . 37.7(2) ?
B1 B2 B3 B7 . . . . 99.3(3) ?
Ge2 B2 B3 B7 . . . . 151.3(2) ?
B6 B2 B3 B8 . . . . 0.2(3) ?
B7 B2 B3 B8 . . . . -37.5(2) ?
B1 B2 B3 B8 . . . . 61.8(3) ?
Ge2 B2 B3 B8 . . . . 113.8(2) ?
B6 B2 B3 B4 . . . . -61.8(3) ?
B7 B2 B3 B4 . . . . -99.5(3) ?
B1 B2 B3 B4 . . . . -0.2(3) ?
Ge2 B2 B3 B4 . . . . 51.79(19) ?
B6 B2 B3 Ge2 . . . . -113.6(2) ?
B7 B2 B3 Ge2 . . . . -151.3(2) ?
B1 B2 B3 Ge2 . . . . -51.99(19) ?
B7 B3 B4 B8 . . . . 35.6(2) ?
B2 B3 B4 B8 . . . . 98.1(3) ?
Ge2 B3 B4 B8 . . . . 147.8(2) ?
B7 B3 B4 B9 . . . . -1.9(3) ?
B8 B3 B4 B9 . . . . -37.5(2) ?
B2 B3 B4 B9 . . . . 60.6(3) ?
Ge2 B3 B4 B9 . . . . 110.3(2) ?
B7 B3 B4 Ge2 . . . . -112.2(2) ?
B8 B3 B4 Ge2 . . . . -147.8(2) ?
B2 B3 B4 Ge2 . . . . -49.70(19) ?
B7 B3 B4 Ge1 . . . . -68.3(3) ?
B8 B3 B4 Ge1 . . . . -104.0(2) ?
B2 B3 B4 Ge1 . . . . -5.8(3) ?
Ge2 B3 B4 Ge1 . . . . 43.88(16) ?
B2 B1 B5 B6 . . . . -36.4(2) ?
Ge1 B1 B5 B6 . . . . -146.7(2) ?
Ge2 B1 B5 B6 . . . . -102.9(2) ?
B6 B1 B5 B10 . . . . 34.8(2) ?
B2 B1 B5 B10 . . . . -1.5(3) ?
Ge1 B1 B5 B10 . . . . -111.9(2) ?
Ge2 B1 B5 B10 . . . . -68.1(3) ?
B6 B1 B5 B9 . . . . 96.8(3) ?
B2 B1 B5 B9 . . . . 60.4(3) ?
Ge1 B1 B5 B9 . . . . -49.94(18) ?
Ge2 B1 B5 B9 . . . . -6.1(3) ?
B6 B1 B5 Ge1 . . . . 146.7(2) ?
B2 B1 B5 Ge1 . . . . 110.4(2) ?
Ge2 B1 B5 Ge1 . . . . 43.79(15) ?
B5 B1 B6 B2 . . . . -138.3(2) ?
Ge1 B1 B6 B2 . . . . -106.3(2) ?
Ge2 B1 B6 B2 . . . . -31.82(19) ?
B2 B1 B6 B5 . . . . 138.3(2) ?
Ge1 B1 B6 B5 . . . . 32.0(2) ?
Ge2 B1 B6 B5 . . . . 106.5(2) ?
B2 B1 B6 B7 . . . . 36.1(2) ?
B5 B1 B6 B7 . . . . -102.2(3) ?
Ge1 B1 B6 B7 . . . . -70.3(3) ?
Ge2 B1 B6 B7 . . . . 4.3(3) ?
B2 B1 B6 B10 . . . . 102.1(3) ?
B5 B1 B6 B10 . . . . -36.2(2) ?
Ge1 B1 B6 B10 . . . . -4.2(3) ?
Ge2 B1 B6 B10 . . . . 70.3(3) ?
B7 B2 B6 B1 . . . . 141.3(2) ?
B3 B2 B6 B1 . . . . 104.4(2) ?
Ge2 B2 B6 B1 . . . . 35.1(2) ?
B7 B2 B6 B5 . . . . 101.2(3) ?
B1 B2 B6 B5 . . . . -40.1(2) ?
B3 B2 B6 B5 . . . . 64.4(3) ?
Ge2 B2 B6 B5 . . . . -5.0(3) ?
B1 B2 B6 B7 . . . . -141.3(2) ?
B3 B2 B6 B7 . . . . -36.9(2) ?
Ge2 B2 B6 B7 . . . . -106.2(3) ?
B7 B2 B6 B10 . . . . 35.6(2) ?
B1 B2 B6 B10 . . . . -105.7(3) ?
B3 B2 B6 B10 . . . . -1.2(3) ?
Ge2 B2 B6 B10 . . . . -70.6(3) ?
B10 B5 B6 B1 . . . . -141.2(2) ?
B9 B5 B6 B1 . . . . -103.9(2) ?
Ge1 B5 B6 B1 . . . . -34.9(2) ?
B10 B5 B6 B2 . . . . -101.3(3) ?
B1 B5 B6 B2 . . . . 40.0(2) ?
B9 B5 B6 B2 . . . . -63.9(3) ?
Ge1 B5 B6 B2 . . . . 5.1(3) ?
B10 B5 B6 B7 . . . . -35.7(2) ?
B1 B5 B6 B7 . . . . 105.6(3) ?
B9 B5 B6 B7 . . . . 1.7(3) ?
Ge1 B5 B6 B7 . . . . 70.6(3) ?
B1 B5 B6 B10 . . . . 141.2(2) ?
B9 B5 B6 B10 . . . . 37.3(2) ?
Ge1 B5 B6 B10 . . . . 106.3(2) ?
B8 B3 B7 B6 . . . . 99.6(3) ?
B4 B3 B7 B6 . . . . 64.6(3) ?
B2 B3 B7 B6 . . . . -38.2(2) ?
Ge2 B3 B7 B6 . . . . -9.2(3) ?
B4 B3 B7 B8 . . . . -35.0(2) ?
B2 B3 B7 B8 . . . . -137.8(3) ?
Ge2 B3 B7 B8 . . . . -108.8(2) ?
B8 B3 B7 B2 . . . . 137.8(3) ?
B4 B3 B7 B2 . . . . 102.8(3) ?
Ge2 B3 B7 B2 . . . . 28.9(2) ?
B8 B3 B7 B10 . . . . 35.7(2) ?
B4 B3 B7 B10 . . . . 0.7(3) ?
B2 B3 B7 B10 . . . . -102.0(3) ?
Ge2 B3 B7 B10 . . . . -73.1(3) ?
B1 B6 B7 B3 . . . . 2.8(3) ?
B2 B6 B7 B3 . . . . 39.8(2) ?
B5 B6 B7 B3 . . . . -65.6(3) ?
B10 B6 B7 B3 . . . . -101.3(3) ?
B1 B6 B7 B8 . . . . 66.6(3) ?
B2 B6 B7 B8 . . . . 103.7(3) ?
B5 B6 B7 B8 . . . . -1.7(3) ?
B10 B6 B7 B8 . . . . -37.4(2) ?
B1 B6 B7 B2 . . . . -37.0(2) ?
B5 B6 B7 B2 . . . . -105.4(3) ?
B10 B6 B7 B2 . . . . -141.1(2) ?
B1 B6 B7 B10 . . . . 104.1(3) ?
B2 B6 B7 B10 . . . . 141.1(2) ?
B5 B6 B7 B10 . . . . 35.7(2) ?
B6 B2 B7 B3 . . . . -137.3(2) ?
B1 B2 B7 B3 . . . . -103.3(3) ?
Ge2 B2 B7 B3 . . . . -29.0(2) ?
B1 B2 B7 B6 . . . . 34.1(2) ?
B3 B2 B7 B6 . . . . 137.3(2) ?
Ge2 B2 B7 B6 . . . . 108.4(2) ?
B6 B2 B7 B8 . . . . -98.9(3) ?
B1 B2 B7 B8 . . . . -64.8(3) ?
B3 B2 B7 B8 . . . . 38.5(2) ?
Ge2 B2 B7 B8 . . . . 9.5(3) ?
B6 B2 B7 B10 . . . . -35.1(2) ?
B1 B2 B7 B10 . . . . -1.0(3) ?
B3 B2 B7 B10 . . . . 102.3(3) ?
Ge2 B2 B7 B10 . . . . 73.3(3) ?
B3 B4 B8 B10 . . . . -101.3(3) ?
B9 B4 B8 B10 . . . . 35.8(2) ?
Ge2 B4 B8 B10 . . . . -69.9(3) ?
Ge1 B4 B8 B10 . . . . 5.4(3) ?
B3 B4 B8 B7 . . . . -36.1(2) ?
B9 B4 B8 B7 . . . . 101.0(3) ?
Ge2 B4 B8 B7 . . . . -4.7(3) ?
Ge1 B4 B8 B7 . . . . 70.6(3) ?
B3 B4 B8 B9 . . . . -137.0(3) ?
Ge2 B4 B8 B9 . . . . -105.7(2) ?
Ge1 B4 B8 B9 . . . . -30.4(2) ?
B9 B4 B8 B3 . . . . 137.0(3) ?
Ge2 B4 B8 B3 . . . . 31.4(2) ?
Ge1 B4 B8 B3 . . . . 106.6(2) ?
B3 B7 B8 B4 . . . . 37.0(3) ?
B6 B7 B8 B4 . . . . -65.7(3) ?
B2 B7 B8 B4 . . . . -2.6(4) ?
B10 B7 B8 B4 . . . . -103.2(3) ?
B3 B7 B8 B10 . . . . 140.3(3) ?
B6 B7 B8 B10 . . . . 37.6(2) ?
B2 B7 B8 B10 . . . . 100.6(3) ?
B3 B7 B8 B9 . . . . 103.8(3) ?
B6 B7 B8 B9 . . . . 1.1(3) ?
B2 B7 B8 B9 . . . . 64.1(3) ?
B10 B7 B8 B9 . . . . -36.4(2) ?
B6 B7 B8 B3 . . . . -102.7(3) ?
B2 B7 B8 B3 . . . . -39.7(2) ?
B10 B7 B8 B3 . . . . -140.3(3) ?
B7 B3 B8 B4 . . . . -140.3(3) ?
B2 B3 B8 B4 . . . . -103.3(3) ?
Ge2 B3 B8 B4 . . . . -34.1(2) ?
B7 B3 B8 B10 . . . . -36.1(2) ?
B4 B3 B8 B10 . . . . 104.2(3) ?
B2 B3 B8 B10 . . . . 0.8(3) ?
Ge2 B3 B8 B10 . . . . 70.1(3) ?
B4 B3 B8 B7 . . . . 140.3(3) ?
B2 B3 B8 B7 . . . . 36.9(2) ?
Ge2 B3 B8 B7 . . . . 106.2(3) ?
B7 B3 B8 B9 . . . . -99.9(3) ?
B4 B3 B8 B9 . . . . 40.3(2) ?
B2 B3 B8 B9 . . . . -63.0(3) ?
Ge2 B3 B8 B9 . . . . 6.2(3) ?
B4 B8 B9 B10 . . . . 140.7(3) ?
B7 B8 B9 B10 . . . . 36.9(2) ?
B3 B8 B9 B10 . . . . 100.7(3) ?
B10 B8 B9 B4 . . . . -140.7(3) ?
B7 B8 B9 B4 . . . . -103.9(3) ?
B3 B8 B9 B4 . . . . -40.1(2) ?
B4 B8 B9 B5 . . . . 103.8(2) ?
B10 B8 B9 B5 . . . . -37.0(2) ?
B7 B8 B9 B5 . . . . -0.1(3) ?
B3 B8 B9 B5 . . . . 63.7(3) ?
B4 B8 B9 Ge1 . . . . 33.6(2) ?
B10 B8 B9 Ge1 . . . . -107.2(3) ?
B7 B8 B9 Ge1 . . . . -70.3(3) ?
B3 B8 B9 Ge1 . . . . -6.5(3) ?
B8 B4 B9 B10 . . . . -35.2(2) ?
B3 B4 B9 B10 . . . . 2.4(3) ?
Ge2 B4 B9 B10 . . . . 69.5(3) ?
Ge1 B4 B9 B10 . . . . 113.3(2) ?
B3 B4 B9 B8 . . . . 37.7(2) ?
Ge2 B4 B9 B8 . . . . 104.7(2) ?
Ge1 B4 B9 B8 . . . . 148.5(2) ?
B8 B4 B9 B5 . . . . -98.5(3) ?
B3 B4 B9 B5 . . . . -60.8(3) ?
Ge2 B4 B9 B5 . . . . 6.3(3) ?
Ge1 B4 B9 B5 . . . . 50.02(19) ?
B8 B4 B9 Ge1 . . . . -148.5(2) ?
B3 B4 B9 Ge1 . . . . -110.8(2) ?
Ge2 B4 B9 Ge1 . . . . -43.75(16) ?
B6 B5 B9 B10 . . . . -38.2(2) ?
B1 B5 B9 B10 . . . . -99.4(3) ?
Ge1 B5 B9 B10 . . . . -151.3(2) ?
B6 B5 B9 B8 . . . . -0.9(3) ?
B10 B5 B9 B8 . . . . 37.3(2) ?
B1 B5 B9 B8 . . . . -62.1(3) ?
Ge1 B5 B9 B8 . . . . -114.0(2) ?
B6 B5 B9 B4 . . . . 61.1(3) ?
B10 B5 B9 B4 . . . . 99.3(3) ?
B1 B5 B9 B4 . . . . -0.1(3) ?
Ge1 B5 B9 B4 . . . . -51.97(19) ?
B6 B5 B9 Ge1 . . . . 113.1(2) ?
B10 B5 B9 Ge1 . . . . 151.3(2) ?
B1 B5 B9 Ge1 . . . . 51.89(19) ?
B4 B9 B10 B8 . . . . 34.5(2) ?
B5 B9 B10 B8 . . . . 138.2(2) ?
Ge1 B9 B10 B8 . . . . 108.9(2) ?
B8 B9 B10 B6 . . . . -99.8(3) ?
B4 B9 B10 B6 . . . . -65.3(3) ?
B5 B9 B10 B6 . . . . 38.5(2) ?
Ge1 B9 B10 B6 . . . . 9.1(3) ?
B8 B9 B10 B5 . . . . -138.2(2) ?
B4 B9 B10 B5 . . . . -103.7(3) ?
Ge1 B9 B10 B5 . . . . -29.3(2) ?
B8 B9 B10 B7 . . . . -36.5(2) ?
B4 B9 B10 B7 . . . . -2.0(3) ?
B5 B9 B10 B7 . . . . 101.7(3) ?
Ge1 B9 B10 B7 . . . . 72.4(3) ?
B4 B8 B10 B9 . . . . -37.0(2) ?
B7 B8 B10 B9 . . . . -139.2(3) ?
B3 B8 B10 B9 . . . . -103.5(3) ?
B4 B8 B10 B6 . . . . 64.9(3) ?
B7 B8 B10 B6 . . . . -37.3(2) ?
B9 B8 B10 B6 . . . . 101.9(3) ?
B3 B8 B10 B6 . . . . -1.6(3) ?
B4 B8 B10 B5 . . . . 2.0(3) ?
B7 B8 B10 B5 . . . . -100.2(3) ?
B9 B8 B10 B5 . . . . 39.0(2) ?
B3 B8 B10 B5 . . . . -64.5(3) ?
B4 B8 B10 B7 . . . . 102.3(3) ?
B9 B8 B10 B7 . . . . 139.2(3) ?
B3 B8 B10 B7 . . . . 35.8(2) ?
B1 B6 B10 B9 . . . . -2.7(3) ?
B2 B6 B10 B9 . . . . 65.5(3) ?
B5 B6 B10 B9 . . . . -39.9(2) ?
B7 B6 B10 B9 . . . . 101.2(3) ?
B1 B6 B10 B8 . . . . -66.4(3) ?
B2 B6 B10 B8 . . . . 1.7(3) ?
B5 B6 B10 B8 . . . . -103.6(3) ?
B7 B6 B10 B8 . . . . 37.4(2) ?
B1 B6 B10 B5 . . . . 37.2(2) ?
B2 B6 B10 B5 . . . . 105.4(3) ?
B7 B6 B10 B5 . . . . 141.0(3) ?
B1 B6 B10 B7 . . . . -103.8(3) ?
B2 B6 B10 B7 . . . . -35.7(2) ?
B5 B6 B10 B7 . . . . -141.0(3) ?
B6 B5 B10 B9 . . . . 136.7(2) ?
B1 B5 B10 B9 . . . . 102.7(2) ?
Ge1 B5 B10 B9 . . . . 28.9(2) ?
B6 B5 B10 B8 . . . . 98.6(3) ?
B1 B5 B10 B8 . . . . 64.7(3) ?
B9 B5 B10 B8 . . . . -38.1(2) ?
Ge1 B5 B10 B8 . . . . -9.2(3) ?
B1 B5 B10 B6 . . . . -34.0(2) ?
B9 B5 B10 B6 . . . . -136.7(2) ?
Ge1 B5 B10 B6 . . . . -107.8(2) ?
B6 B5 B10 B7 . . . . 34.9(2) ?
B1 B5 B10 B7 . . . . 0.9(3) ?
B9 B5 B10 B7 . . . . -101.8(3) ?
Ge1 B5 B10 B7 . . . . -72.9(3) ?
B3 B7 B10 B9 . . . . 0.8(3) ?
B6 B7 B10 B9 . . . . -101.0(3) ?
B8 B7 B10 B9 . . . . 36.8(2) ?
B2 B7 B10 B9 . . . . -66.2(3) ?
B3 B7 B10 B8 . . . . -36.0(2) ?
B6 B7 B10 B8 . . . . -137.8(3) ?
B2 B7 B10 B8 . . . . -103.0(3) ?
B3 B7 B10 B6 . . . . 101.9(3) ?
B8 B7 B10 B6 . . . . 137.8(3) ?
B2 B7 B10 B6 . . . . 34.8(2) ?
B3 B7 B10 B5 . . . . 67.1(3) ?
B6 B7 B10 B5 . . . . -34.8(2) ?
B8 B7 B10 B5 . . . . 103.1(3) ?
B2 B7 B10 B5 . . . . 0.0(3) ?
C3 C2 P1 C1 . . . . -141.8(2) ?
C7 C2 P1 C1 . . . . 38.6(3) ?
C3 C2 P1 C10 . . . . 109.6(2) ?
C7 C2 P1 C10 . . . . -70.0(3) ?
C3 C2 P1 Cu1 . . . . 2.7(2) ?
C7 C2 P1 Cu1 . . . . -176.9(2) ?
P2 C1 P1 C2 . . . . 88.32(17) ?
P2 C1 P1 C10 . . . . -163.13(15) ?
P2 C1 P1 Cu1 . . . . -39.6(2) ?
C15 C10 P1 C2 . . . . 69.4(3) ?
C11 C10 P1 C2 . . . . -109.7(2) ?
C15 C10 P1 C1 . . . . -41.4(3) ?
C11 C10 P1 C1 . . . . 139.5(2) ?
C15 C10 P1 Cu1 . . . . 176.5(3) ?
C11 C10 P1 Cu1 . . . . -2.6(2) ?
C23 C18 P2 C26 . . . . -64.5(3) ?
C19 C18 P2 C26 . . . . 121.0(2) ?
C23 C18 P2 C1 . . . . 46.5(3) ?
C19 C18 P2 C1 . . . . -128.0(2) ?
C23 C18 P2 Cu2 . . . . -171.3(3) ?
C19 C18 P2 Cu2 . . . . 14.1(3) ?
C31 C26 P2 C18 . . . . 81.7(3) ?
C27 C26 P2 C18 . . . . -101.3(2) ?
C31 C26 P2 C1 . . . . -23.3(3) ?
C27 C26 P2 C1 . . . . 153.7(2) ?
C31 C26 P2 Cu2 . . . . -172.8(2) ?
C27 C26 P2 Cu2 . . . . 4.2(2) ?
P1 C1 P2 C18 . . . . 163.15(16) ?
P1 C1 P2 C26 . . . . -87.38(18) ?
P1 C1 P2 Cu2 . . . . 45.8(2) ?
C2 P1 Cu1 N1 . . . . -2.05(12) ?
C1 P1 Cu1 N1 . . . . 126.97(15) ?
C10 P1 Cu1 N1 . . . . -109.32(12) ?
C2 P1 Cu1 N2 . . . . 112.44(12) ?
C1 P1 Cu1 N2 . . . . -118.54(15) ?
C10 P1 Cu1 N2 . . . . 5.17(12) ?
C2 P1 Cu1 Ge1 . . . . -121.31(10) ?
C1 P1 Cu1 Ge1 . . . . 7.72(15) ?
C10 P1 Cu1 Ge1 . . . . 131.43(10) ?
C3 N1 Cu1 P1 . . . . 1.6(2) ?
C8 N1 Cu1 P1 . . . . 125.7(2) ?
C9 N1 Cu1 P1 . . . . -117.5(2) ?
C3 N1 Cu1 N2 . . . . -82.0(2) ?
C8 N1 Cu1 N2 . . . . 42.0(2) ?
C9 N1 Cu1 N2 . . . . 158.9(2) ?
C3 N1 Cu1 Ge1 . . . . 139.60(18) ?
C8 N1 Cu1 Ge1 . . . . -96.3(2) ?
C9 N1 Cu1 Ge1 . . . . 20.5(2) ?
C11 N2 Cu1 P1 . . . . -8.0(2) ?
C16 N2 Cu1 P1 . . . . -133.7(3) ?
C17 N2 Cu1 P1 . . . . 109.1(2) ?
C11 N2 Cu1 N1 . . . . 75.6(2) ?
C16 N2 Cu1 N1 . . . . -50.1(3) ?
C17 N2 Cu1 N1 . . . . -167.3(2) ?
C11 N2 Cu1 Ge1 . . . . -148.01(18) ?
C16 N2 Cu1 Ge1 . . . . 86.3(3) ?
C17 N2 Cu1 Ge1 . . . . -30.9(3) ?
C18 P2 Cu2 N3 . . . . -13.53(12) ?
C26 P2 Cu2 N3 . . . . -122.38(12) ?
C1 P2 Cu2 N3 . . . . 103.16(16) ?
C18 P2 Cu2 N4 . . . . 100.74(12) ?
C26 P2 Cu2 N4 . . . . -8.11(12) ?
C1 P2 Cu2 N4 . . . . -142.57(16) ?
C18 P2 Cu2 Ge2 . . . . -136.86(10) ?
C26 P2 Cu2 Ge2 . . . . 114.29(10) ?
C1 P2 Cu2 Ge2 . . . . -20.16(15) ?
C19 N3 Cu2 P2 . . . . 14.2(2) ?
C24 N3 Cu2 P2 . . . . 142.0(3) ?
C25 N3 Cu2 P2 . . . . -101.5(2) ?
C19 N3 Cu2 N4 . . . . -68.9(2) ?
C24 N3 Cu2 N4 . . . . 58.9(3) ?
C25 N3 Cu2 N4 . . . . 175.4(2) ?
C19 N3 Cu2 Ge2 . . . . 152.08(18) ?
C24 N3 Cu2 Ge2 . . . . -80.1(3) ?
C25 N3 Cu2 Ge2 . . . . 36.4(2) ?
C27 N4 Cu2 P2 . . . . 12.35(19) ?
C33 N4 Cu2 P2 . . . . 134.4(3) ?
C32 N4 Cu2 P2 . . . . -108.7(2) ?
C27 N4 Cu2 N3 . . . . 95.9(2) ?
C33 N4 Cu2 N3 . . . . -142.0(3) ?
C32 N4 Cu2 N3 . . . . -25.1(2) ?
C27 N4 Cu2 Ge2 . . . . -125.05(18) ?
C33 N4 Cu2 Ge2 . . . . -3.0(3) ?
C32 N4 Cu2 Ge2 . . . . 113.9(2) ?
B10 B9 Ge1 B5 . . . . 27.8(2) ?
B8 B9 Ge1 B5 . . . . 97.0(3) ?
B4 B9 Ge1 B5 . . . . 127.5(2) ?
B10 B9 Ge1 B1 . . . . -9.7(2) ?
B8 B9 Ge1 B1 . . . . 59.5(2) ?
B4 B9 Ge1 B1 . . . . 89.98(16) ?
B5 B9 Ge1 B1 . . . . -37.48(16) ?
B10 B9 Ge1 B4 . . . . -99.7(3) ?
B8 B9 Ge1 B4 . . . . -30.5(2) ?
B5 B9 Ge1 B4 . . . . -127.5(2) ?
B10 B9 Ge1 Cu1 . . . . 154.41(17) ?
B8 B9 Ge1 Cu1 . . . . -136.40(19) ?
B4 B9 Ge1 Cu1 . . . . -105.92(16) ?
B5 B9 Ge1 Cu1 . . . . 126.61(14) ?
B10 B9 Ge1 Ge2 . . . . -65.3(2) ?
B8 B9 Ge1 Ge2 . . . . 3.9(2) ?
B4 B9 Ge1 Ge2 . . . . 34.36(14) ?
B5 B9 Ge1 Ge2 . . . . -93.11(14) ?
B6 B5 Ge1 B9 . . . . -95.5(3) ?
B10 B5 Ge1 B9 . . . . -27.1(2) ?
B1 B5 Ge1 B9 . . . . -127.1(2) ?
B6 B5 Ge1 B1 . . . . 31.6(2) ?
B10 B5 Ge1 B1 . . . . 100.0(3) ?
B9 B5 Ge1 B1 . . . . 127.1(2) ?
B6 B5 Ge1 B4 . . . . -58.3(2) ?
B10 B5 Ge1 B4 . . . . 10.1(2) ?
B1 B5 Ge1 B4 . . . . -89.85(17) ?
B9 B5 Ge1 B4 . . . . 37.23(17) ?
B6 B5 Ge1 Cu1 . . . . 146.87(17) ?
B10 B5 Ge1 Cu1 . . . . -144.77(16) ?
B1 B5 Ge1 Cu1 . . . . 115.28(16) ?
B9 B5 Ge1 Cu1 . . . . -117.64(16) ?
B6 B5 Ge1 Ge2 . . . . -2.9(2) ?
B10 B5 Ge1 Ge2 . . . . 65.5(2) ?
B1 B5 Ge1 Ge2 . . . . -34.47(14) ?
B9 B5 Ge1 Ge2 . . . . 92.62(14) ?
B6 B1 Ge1 B9 . . . . 7.6(2) ?
B2 B1 Ge1 B9 . . . . -57.5(2) ?
B5 B1 Ge1 B9 . . . . 38.36(17) ?
Ge2 B1 Ge1 B9 . . . . -99.04(11) ?
B6 B1 Ge1 B5 . . . . -30.7(2) ?
B2 B1 Ge1 B5 . . . . -95.8(2) ?
Ge2 B1 Ge1 B5 . . . . -137.40(17) ?
B6 B1 Ge1 B4 . . . . 57.3(2) ?
B2 B1 Ge1 B4 . . . . -7.9(2) ?
B5 B1 Ge1 B4 . . . . 87.99(17) ?
Ge2 B1 Ge1 B4 . . . . -49.41(11) ?
B6 B1 Ge1 Cu1 . . . . -156.65(15) ?
B2 B1 Ge1 Cu1 . . . . 138.24(16) ?
B5 B1 Ge1 Cu1 . . . . -125.92(14) ?
Ge2 B1 Ge1 Cu1 . . . . 96.68(10) ?
B6 B1 Ge1 Ge2 . . . . 106.7(2) ?
B2 B1 Ge1 Ge2 . . . . 41.56(17) ?
B5 B1 Ge1 Ge2 . . . . 137.40(17) ?
B8 B4 Ge1 B9 . . . . 29.4(2) ?
B3 B4 Ge1 B9 . . . . 95.6(3) ?
Ge2 B4 Ge1 B9 . . . . 137.38(17) ?
B8 B4 Ge1 B5 . . . . -8.7(2) ?
B3 B4 Ge1 B5 . . . . 57.4(2) ?
B9 B4 Ge1 B5 . . . . -38.13(17) ?
Ge2 B4 Ge1 B5 . . . . 99.25(11) ?
B8 B4 Ge1 B1 . . . . -58.4(2) ?
B3 B4 Ge1 B1 . . . . 7.8(2) ?
B9 B4 Ge1 B1 . . . . -87.79(17) ?
Ge2 B4 Ge1 B1 . . . . 49.59(10) ?
B8 B4 Ge1 Cu1 . . . . 151.47(17) ?
B3 B4 Ge1 Cu1 . . . . -142.38(17) ?
B9 B4 Ge1 Cu1 . . . . 122.05(14) ?
Ge2 B4 Ge1 Cu1 . . . . -100.58(8) ?
B8 B4 Ge1 Ge2 . . . . -108.0(2) ?
B3 B4 Ge1 Ge2 . . . . -41.80(18) ?
B9 B4 Ge1 Ge2 . . . . -137.38(17) ?
P1 Cu1 Ge1 B9 . . . . 149.86(14) ?
N1 Cu1 Ge1 B9 . . . . 41.11(16) ?
N2 Cu1 Ge1 B9 . . . . -95.57(16) ?
P1 Cu1 Ge1 B5 . . . . -129.99(15) ?
N1 Cu1 Ge1 B5 . . . . 121.26(17) ?
N2 Cu1 Ge1 B5 . . . . -15.42(17) ?
P1 Cu1 Ge1 B1 . . . . -52.93(13) ?
N1 Cu1 Ge1 B1 . . . . -161.68(14) ?
N2 Cu1 Ge1 B1 . . . . 61.64(15) ?
P1 Cu1 Ge1 B4 . . . . 82.37(12) ?
N1 Cu1 Ge1 B4 . . . . -26.38(14) ?
N2 Cu1 Ge1 B4 . . . . -163.06(14) ?
P1 Cu1 Ge1 Ge2 . . . . 15.63(5) ?
N1 Cu1 Ge1 Ge2 . . . . -93.12(8) ?
N2 Cu1 Ge1 Ge2 . . . . 130.20(9) ?
B6 B2 Ge2 B3 . . . . 95.7(3) ?
B7 B2 Ge2 B3 . . . . 27.1(2) ?
B1 B2 Ge2 B3 . . . . 127.4(2) ?
B6 B2 Ge2 B4 . . . . 58.5(2) ?
B7 B2 Ge2 B4 . . . . -10.1(2) ?
B1 B2 Ge2 B4 . . . . 90.22(17) ?
B3 B2 Ge2 B4 . . . . -37.20(17) ?
B6 B2 Ge2 B1 . . . . -31.7(2) ?
B7 B2 Ge2 B1 . . . . -100.3(3) ?
B3 B2 Ge2 B1 . . . . -127.4(2) ?
B6 B2 Ge2 Cu2 . . . . -137.67(18) ?
B7 B2 Ge2 Cu2 . . . . 153.80(16) ?
B1 B2 Ge2 Cu2 . . . . -105.93(17) ?
B3 B2 Ge2 Cu2 . . . . 126.65(16) ?
B6 B2 Ge2 Ge1 . . . . 2.7(2) ?
B7 B2 Ge2 Ge1 . . . . -65.8(2) ?
B1 B2 Ge2 Ge1 . . . . 34.47(14) ?
B3 B2 Ge2 Ge1 . . . . -92.96(14) ?
B7 B3 Ge2 B2 . . . . -27.4(2) ?
B8 B3 Ge2 B2 . . . . -96.1(3) ?
B4 B3 Ge2 B2 . . . . -127.1(2) ?
B7 B3 Ge2 B4 . . . . 99.7(3) ?
B8 B3 Ge2 B4 . . . . 31.1(2) ?
B2 B3 Ge2 B4 . . . . 127.1(2) ?
B7 B3 Ge2 B1 . . . . 9.7(2) ?
B8 B3 Ge2 B1 . . . . -58.9(2) ?
B4 B3 Ge2 B1 . . . . -90.01(17) ?
B2 B3 Ge2 B1 . . . . 37.12(16) ?
B7 B3 Ge2 Cu2 . . . . -153.18(16) ?
B8 B3 Ge2 Cu2 . . . . 138.14(18) ?
B4 B3 Ge2 Cu2 . . . . 107.07(17) ?
B2 B3 Ge2 Cu2 . . . . -125.80(16) ?
B7 B3 Ge2 Ge1 . . . . 65.3(2) ?
B8 B3 Ge2 Ge1 . . . . -3.4(2) ?
B4 B3 Ge2 Ge1 . . . . -34.44(15) ?
B2 B3 Ge2 Ge1 . . . . 92.69(14) ?
B8 B4 Ge2 B2 . . . . 8.3(2) ?
B3 B4 Ge2 B2 . . . . 38.56(17) ?
B9 B4 Ge2 B2 . . . . -57.5(2) ?
Ge1 B4 Ge2 B2 . . . . -98.93(11) ?
B8 B4 Ge2 B3 . . . . -30.2(2) ?
B9 B4 Ge2 B3 . . . . -96.1(3) ?
Ge1 B4 Ge2 B3 . . . . -137.49(18) ?
B8 B4 Ge2 B1 . . . . 57.7(2) ?
B3 B4 Ge2 B1 . . . . 87.97(17) ?
B9 B4 Ge2 B1 . . . . -8.1(2) ?
Ge1 B4 Ge2 B1 . . . . -49.52(10) ?
B8 B4 Ge2 Cu2 . . . . -158.30(17) ?
B3 B4 Ge2 Cu2 . . . . -128.05(14) ?
B9 B4 Ge2 Cu2 . . . . 135.85(17) ?
Ge1 B4 Ge2 Cu2 . . . . 94.46(10) ?
B8 B4 Ge2 Ge1 . . . . 107.2(2) ?
B3 B4 Ge2 Ge1 . . . . 137.49(18) ?
B9 B4 Ge2 Ge1 . . . . 41.38(17) ?
B6 B1 Ge2 B2 . . . . 30.6(2) ?
B5 B1 Ge2 B2 . . . . 95.8(3) ?
Ge1 B1 Ge2 B2 . . . . 137.32(17) ?
B6 B1 Ge2 B3 . . . . -7.8(2) ?
B2 B1 Ge2 B3 . . . . -38.37(17) ?
B5 B1 Ge2 B3 . . . . 57.4(2) ?
Ge1 B1 Ge2 B3 . . . . 98.94(11) ?
B6 B1 Ge2 B4 . . . . -57.0(2) ?
B2 B1 Ge2 B4 . . . . -87.64(17) ?
B5 B1 Ge2 B4 . . . . 8.1(2) ?
Ge1 B1 Ge2 B4 . . . . 49.68(11) ?
B6 B1 Ge2 Cu2 . . . . 158.43(15) ?
B2 B1 Ge2 Cu2 . . . . 127.82(14) ?
B5 B1 Ge2 Cu2 . . . . -136.42(17) ?
Ge1 B1 Ge2 Cu2 . . . . -94.86(9) ?
B6 B1 Ge2 Ge1 . . . . -106.7(2) ?
B2 B1 Ge2 Ge1 . . . . -137.32(17) ?
B5 B1 Ge2 Ge1 . . . . -41.56(17) ?
P2 Cu2 Ge2 B2 . . . . 132.54(16) ?
N3 Cu2 Ge2 B2 . . . . 20.90(18) ?
N4 Cu2 Ge2 B2 . . . . -117.10(18) ?
P2 Cu2 Ge2 B3 . . . . -140.75(16) ?
N3 Cu2 Ge2 B3 . . . . 107.61(18) ?
N4 Cu2 Ge2 B3 . . . . -30.38(18) ?
P2 Cu2 Ge2 B4 . . . . -68.84(13) ?
N3 Cu2 Ge2 B4 . . . . 179.52(15) ?
N4 Cu2 Ge2 B4 . . . . 41.52(15) ?
P2 Cu2 Ge2 B1 . . . . 61.58(12) ?
N3 Cu2 Ge2 B1 . . . . -50.06(14) ?
N4 Cu2 Ge2 B1 . . . . 171.95(14) ?
P2 Cu2 Ge2 Ge1 . . . . -3.45(4) ?
N3 Cu2 Ge2 Ge1 . . . . -115.09(9) ?
N4 Cu2 Ge2 Ge1 . . . . 106.92(8) ?
B9 Ge1 Ge2 B2 . . . . 51.37(14) ?
B5 Ge1 Ge2 B2 . . . . 0.09(13) ?
B1 Ge1 Ge2 B2 . . . . -31.15(14) ?
B4 Ge1 Ge2 B2 . . . . 82.59(14) ?
Cu1 Ge1 Ge2 B2 . . . . -158.84(10) ?
B9 Ge1 Ge2 B3 . . . . -0.25(13) ?
B5 Ge1 Ge2 B3 . . . . -51.53(13) ?
B1 Ge1 Ge2 B3 . . . . -82.77(14) ?
B4 Ge1 Ge2 B3 . . . . 30.97(14) ?
Cu1 Ge1 Ge2 B3 . . . . 149.54(10) ?
B9 Ge1 Ge2 B4 . . . . -31.22(14) ?
B5 Ge1 Ge2 B4 . . . . -82.50(14) ?
B1 Ge1 Ge2 B4 . . . . -113.74(15) ?
Cu1 Ge1 Ge2 B4 . . . . 118.57(11) ?
B9 Ge1 Ge2 B1 . . . . 82.52(14) ?
B5 Ge1 Ge2 B1 . . . . 31.24(14) ?
B4 Ge1 Ge2 B1 . . . . 113.74(15) ?
Cu1 Ge1 Ge2 B1 . . . . -127.69(11) ?
B9 Ge1 Ge2 Cu2 . . . . -154.92(10) ?
B5 Ge1 Ge2 Cu2 . . . . 153.79(9) ?
B1 Ge1 Ge2 Cu2 . . . . 122.56(11) ?
B4 Ge1 Ge2 Cu2 . . . . -123.70(11) ?
Cu1 Ge1 Ge2 Cu2 . . . . -5.14(3) ?

_database_code_depnum_ccdc_archive 'CCDC 992551'
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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_I
_chemical_name_systematic        ?
_chemical_name_common            JW14
_chemical_formula_moiety         'C33 H53 B11 Cu2 Ge N4 P2'
_chemical_formula_sum            'C33 H53 B11 Cu2 Ge N4 P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         886.31
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   13.1755(4)
_cell_length_b                   16.9103(4)
_cell_length_c                   19.1784(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4273.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9813
_cell_measurement_theta_min      2.6271
_cell_measurement_theta_max      27.1208
_cell_measurement_temperature    120.(2)

_exptl_crystal_description       needle
_exptl_crystal_colour            'clear intense colourless'
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1816

_exptl_absorpt_coefficient_mu    1.790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_T_max  0.90

_exptl_special_details           
;
;

_diffrn_ambient_temperature      120.(2)

_diffrn_source                   ?
_diffrn_source_type              'fine-focus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            51437
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             9596
_reflns_number_gt                7355
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0445
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1170
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_number_reflns         9596
_refine_ls_number_parameters     472
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0615P)²+3.8606P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.899
_refine_diff_density_min         -0.813
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.031(12)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge Ge1 0.53661(4) 0.45988(3) 0.84519(2) 0.02201(12) Uani d . 1 . .
Cu Cu1 0.38313(4) 0.55198(3) 0.89464(3) 0.02538(14) Uani d . 1 . .
Cu Cu2 0.47409(5) 0.41652(3) 0.94947(3) 0.02670(15) Uani d . 1 . .
P P1 0.23153(8) 0.55095(6) 0.94859(6) 0.0202(2) Uani d . 1 . .
P P2 0.34984(8) 0.42809(6) 1.02319(6) 0.0192(2) Uani d . 1 . .
N N1 0.1644(3) 0.6595(2) 0.8408(2) 0.0324(10) Uani d . 1 . .
N N4 0.4327(3) 0.2907(2) 0.9445(2) 0.0229(8) Uani d . 1 . .
C C10 0.2501(4) 0.6329(2) 1.0092(2) 0.0239(10) Uani d . 1 . .
C C11 0.3401(3) 0.6754(3) 1.0095(3) 0.0253(10) Uani d . 1 . .
C C12 0.3539(4) 0.7343(3) 1.0589(3) 0.0393(13) Uani d . 1 . .
H H12 0.4133 0.7661 1.0575 0.047 Uiso calc R 1 . .
C C13 0.2817(4) 0.7473(3) 1.1104(3) 0.0399(13) Uani d . 1 . .
H H13 0.2942 0.7852 1.146 0.048 Uiso calc R 1 . .
C C14 0.1919(4) 0.7052(3) 1.1100(3) 0.0342(12) Uani d . 1 . .
H H14 0.1409 0.7153 1.1439 0.041 Uiso calc R 1 . .
C C15 0.1776(3) 0.6484(3) 1.0596(3) 0.0264(10) Uani d . 1 . .
H H15 0.1162 0.619 1.0594 0.032 Uiso calc R 1 . .
N N2 0.4181(3) 0.6591(2) 0.9557(2) 0.0275(9) Uani d . 1 . .
C C17 0.5192(4) 0.6534(3) 0.9887(3) 0.0367(12) Uani d . 1 . .
H H17A 0.5704 0.6421 0.953 0.055 Uiso calc R 1 . .
H H17B 0.5188 0.6107 1.0233 0.055 Uiso calc R 1 . .
H H17C 0.5354 0.7035 1.0117 0.055 Uiso calc R 1 . .
C C16 0.4175(4) 0.7250(3) 0.9047(3) 0.0404(13) Uani d . 1 . .
H H16A 0.4685 0.715 0.8685 0.061 Uiso calc R 1 . .
H H16B 0.4335 0.7746 0.9286 0.061 Uiso calc R 1 . .
H H16C 0.3502 0.7289 0.8832 0.061 Uiso calc R 1 . .
C C2 0.0990(3) 0.5628(2) 0.9212(2) 0.0248(10) Uani d . 1 . .
C C3 0.0810(4) 0.6137(3) 0.8660(2) 0.0277(11) Uani d . 1 . .
C C9 0.1950(5) 0.6331(5) 0.7715(3) 0.063(2) Uani d . 1 . .
H H9A 0.2521 0.6654 0.7552 0.095 Uiso calc R 1 . .
H H9B 0.1379 0.6388 0.7392 0.095 Uiso calc R 1 . .
H H9C 0.2157 0.5775 0.7736 0.095 Uiso calc R 1 . .
C C8 0.1438(5) 0.7438(3) 0.8422(5) 0.076(2) Uani d . 1 . .
H H8A 0.2028 0.7726 0.8241 0.115 Uiso calc R 1 . .
H H8B 0.1303 0.7604 0.8902 0.115 Uiso calc R 1 . .
H H8C 0.0845 0.7552 0.8131 0.115 Uiso calc R 1 . .
C C4 -0.0175(4) 0.6176(3) 0.8395(3) 0.0432(14) Uani d . 1 . .
H H4 -0.0301 0.6503 0.8002 0.052 Uiso calc R 1 . .
C C5 -0.0959(4) 0.5768(3) 0.8675(3) 0.0428(14) Uani d . 1 . .
H H5 -0.1616 0.5802 0.8473 0.051 Uiso calc R 1 . .
C C6 -0.0794(4) 0.5299(3) 0.9259(4) 0.0524(18) Uani d . 1 . .
H H6 -0.1345 0.5034 0.9477 0.063 Uiso calc R 1 . .
C C7 0.0190(4) 0.5220(3) 0.9523(3) 0.0366(12) Uani d . 1 . .
H H7 0.0313 0.4888 0.9914 0.044 Uiso calc R 1 . .
C C1 0.2216(3) 0.4652(2) 1.0079(2) 0.0209(9) Uani d . 1 . .
H H1A 0.19 0.4814 1.0526 0.025 Uiso calc R 1 . .
H H1B 0.179 0.4235 0.9866 0.025 Uiso calc R 1 . .
N N3 0.5658(3) 0.4274(3) 1.0564(3) 0.0443(12) Uani d . 1 . .
C C19 0.5070(4) 0.4723(3) 1.1071(3) 0.0344(12) Uani d . 1 . .
C C18 0.4009(3) 0.4763(3) 1.1003(2) 0.0248(10) Uani d . 1 . .
C C23 0.3440(4) 0.5202(3) 1.1484(2) 0.0283(11) Uani d . 1 . .
H H23 0.2723 0.523 1.1438 0.034 Uiso calc R 1 . .
C C22 0.3916(4) 0.5593(3) 1.2020(2) 0.0339(12) Uani d . 1 . .
H H22 0.3525 0.59 1.2336 0.041 Uiso calc R 1 . .
C C21 0.4955(4) 0.5544(3) 1.2106(3) 0.0398(13) Uani d . 1 . .
H H21 0.5277 0.58 1.2488 0.048 Uiso calc R 1 . .
C C20 0.5528(4) 0.5115(3) 1.1623(3) 0.0408(13) Uani d . 1 . .
H H20 0.6244 0.5091 1.1674 0.049 Uiso calc R 1 . .
C C25 0.6614(4) 0.4669(4) 1.0359(3) 0.0537(17) Uani d . 1 . .
H H25A 0.6976 0.434 1.0021 0.08 Uiso calc R 1 . .
H H25B 0.704 0.4747 1.0773 0.08 Uiso calc R 1 . .
H H25C 0.6459 0.5184 1.0149 0.08 Uiso calc R 1 . .
C C24 0.5906(5) 0.3485(3) 1.0890(4) 0.062(2) Uani d . 1 . .
H H24A 0.6307 0.3169 1.0562 0.092 Uiso calc R 1 . .
H H24B 0.5275 0.3206 1.1001 0.092 Uiso calc R 1 . .
H H24C 0.6297 0.3569 1.1318 0.092 Uiso calc R 1 . .
C C27 0.3820(3) 0.2674(2) 1.0081(2) 0.0196(9) Uani d . 1 . .
C C28 0.3785(4) 0.1887(3) 1.0309(2) 0.0319(12) Uani d . 1 . .
H H28 0.4122 0.1487 1.0049 0.038 Uiso calc R 1 . .
C C29 0.3262(4) 0.1690(3) 1.0910(3) 0.0328(12) Uani d . 1 . .
H H29 0.3259 0.1157 1.1066 0.039 Uiso calc R 1 . .
C C30 0.2748(4) 0.2253(3) 1.1284(3) 0.0298(11) Uani d . 1 . .
H H30 0.238 0.2111 1.1691 0.036 Uiso calc R 1 . .
C C31 0.2773(3) 0.3030(3) 1.1062(2) 0.0228(9) Uani d . 1 . .
H H31 0.2406 0.3421 1.1313 0.027 Uiso calc R 1 . .
C C26 0.3318(3) 0.3243(2) 1.0485(2) 0.0193(9) Uani d . 1 . .
C C32 0.5221(4) 0.2406(3) 0.9264(3) 0.0292(11) Uani d . 1 . .
H H32A 0.5525 0.2596 0.8829 0.044 Uiso calc R 1 . .
H H32B 0.5001 0.1856 0.9205 0.044 Uiso calc R 1 . .
H H32C 0.5723 0.2436 0.964 0.044 Uiso calc R 1 . .
C C33 0.3583(4) 0.2869(3) 0.8857(2) 0.0322(12) Uani d . 1 . .
H H33A 0.3918 0.3029 0.8423 0.048 Uiso calc R 1 . .
H H33B 0.3015 0.3227 0.8953 0.048 Uiso calc R 1 . .
H H33C 0.3329 0.2327 0.881 0.048 Uiso calc R 1 . .
B B1 0.6053(4) 0.5672(3) 0.8060(3) 0.0197(10) Uani d . 1 . .
H H1 0.6331 0.6081 0.8478 0.024 Uiso calc R 1 . .
B B2 0.4669(4) 0.5537(3) 0.7874(3) 0.0230(7) Uani d . 1 . .
H H2 0.4049 0.5842 0.8169 0.028 Uiso calc R 1 . .
B B3 0.4509(4) 0.4543(3) 0.7487(3) 0.0260(11) Uani d . 1 . .
H H3 0.3776 0.4211 0.7529 0.031 Uiso calc R 1 . .
B B4 0.5755(4) 0.4043(3) 0.7477(3) 0.0225(11) Uani d . 1 . .
H H4A 0.583 0.3385 0.7513 0.027 Uiso calc R 1 . .
B B9 0.5249(4) 0.4499(3) 0.6724(3) 0.0265(11) Uani d . 1 . .
H H9 0.4991 0.4127 0.6275 0.032 Uiso calc R 1 . .
B B11 0.5862(4) 0.5415(3) 0.6586(3) 0.0278(11) Uani d . 1 . .
H H11 0.6011 0.5646 0.6048 0.033 Uiso calc R 1 . .
B B8 0.4613(4) 0.5383(3) 0.6941(3) 0.0248(11) Uani d . 1 . .
H H8 0.3942 0.5598 0.6637 0.03 Uiso calc R 1 . .
B B7 0.5527(4) 0.6059(3) 0.7295(3) 0.0264(12) Uani d . 1 . .
H H7A 0.5447 0.6714 0.7228 0.032 Uiso calc R 1 . .
B B6 0.6736(4) 0.5584(3) 0.7278(3) 0.0228(11) Uani d . 1 . .
H H6A 0.7453 0.5928 0.7196 0.027 Uiso calc R 1 . .
B B5 0.6719(4) 0.4739(3) 0.7842(3) 0.0201(11) Uani d . 1 . .
H H5A 0.7421 0.4535 0.8118 0.024 Uiso calc R 1 . .
B B10 0.6564(4) 0.4605(3) 0.6936(3) 0.0230(7) Uani d . 1 . .
H H10 0.7176 0.4301 0.6633 0.028 Uiso calc R 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ge1 B2 . 2.141(5) ?
Ge1 B5 . 2.145(5) ?
Ge1 B4 . 2.154(5) ?
Ge1 B1 . 2.163(5) ?
Ge1 B3 . 2.170(5) ?
Ge1 Cu2 . 2.2838(7) ?
Ge1 Cu1 . 2.7229(7) ?
Cu1 N2 . 2.205(4) ?
Cu1 P1 . 2.2496(12) ?
Cu1 Cu2 . 2.7910(8) ?
Cu2 P2 . 2.1719(12) ?
Cu2 N4 . 2.198(4) ?
Cu2 N3 . 2.387(5) ?
P1 C10 . 1.825(5) ?
P1 C2 . 1.834(4) ?
P1 C1 . 1.848(4) ?
P2 C18 . 1.817(5) ?
P2 C1 . 1.827(4) ?
P2 C26 . 1.836(4) ?
N1 C3 . 1.429(7) ?
N1 C8 . 1.450(7) ?
N1 C9 . 1.458(7) ?
N4 C27 . 1.446(6) ?
N4 C32 . 1.491(6) ?
N4 C33 . 1.495(6) ?
C10 C15 . 1.383(6) ?
C10 C11 . 1.387(6) ?
C11 C12 . 1.387(7) ?
C11 N2 . 1.483(6) ?
C12 C13 . 1.388(7) ?
C12 H12 . 0.95 ?
C13 C14 . 1.381(7) ?
C13 H13 . 0.95 ?
C14 C15 . 1.376(7) ?
C14 H14 . 0.95 ?
C15 H15 . 0.95 ?
N2 C17 . 1.477(6) ?
N2 C16 . 1.484(6) ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C2 C3 . 1.385(7) ?
C2 C7 . 1.395(7) ?
C3 C4 . 1.396(7) ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C4 C5 . 1.352(8) ?
C4 H4 . 0.95 ?
C5 C6 . 1.391(9) ?
C5 H5 . 0.95 ?
C6 C7 . 1.398(7) ?
C6 H6 . 0.95 ?
C7 H7 . 0.95 ?
C1 H1A . 0.99 ?
C1 H1B . 0.99 ?
N3 C19 . 1.457(7) ?
N3 C25 . 1.479(8) ?
N3 C24 . 1.508(7) ?
C19 C20 . 1.387(7) ?
C19 C18 . 1.406(7) ?
C18 C23 . 1.402(7) ?
C23 C22 . 1.374(7) ?
C23 H23 . 0.95 ?
C22 C21 . 1.382(8) ?
C22 H22 . 0.95 ?
C21 C20 . 1.398(7) ?
C21 H21 . 0.95 ?
C20 H20 . 0.95 ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C27 C28 . 1.401(6) ?
C27 C26 . 1.401(6) ?
C28 C29 . 1.384(6) ?
C28 H28 . 0.95 ?
C29 C30 . 1.371(7) ?
C29 H29 . 0.95 ?
C30 C31 . 1.381(6) ?
C30 H30 . 0.95 ?
C31 C26 . 1.368(6) ?
C31 H31 . 0.95 ?
C32 H32A . 0.98 ?
C32 H32B . 0.98 ?
C32 H32C . 0.98 ?
C33 H33A . 0.98 ?
C33 H33B . 0.98 ?
C33 H33C . 0.98 ?
B1 B7 . 1.750(7) ?
B1 B6 . 1.755(7) ?
B1 B5 . 1.852(7) ?
B1 B2 . 1.872(7) ?
B1 H1 . 1.12 ?
B2 B8 . 1.810(7) ?
B2 B7 . 1.814(7) ?
B2 B3 . 1.849(7) ?
B2 H2 . 1.12 ?
B3 B9 . 1.760(7) ?
B3 B8 . 1.770(7) ?
B3 B4 . 1.847(7) ?
B3 H3 . 1.12 ?
B4 B10 . 1.765(7) ?
B4 B9 . 1.767(7) ?
B4 B5 . 1.867(7) ?
B4 H4A . 1.12 ?
B9 B8 . 1.764(8) ?
B9 B11 . 1.768(8) ?
B9 B10 . 1.788(7) ?
B9 H9 . 1.12 ?
B11 B6 . 1.781(7) ?
B11 B8 . 1.782(7) ?
B11 B10 . 1.784(7) ?
B11 B7 . 1.797(8) ?
B11 H11 . 1.12 ?
B8 B7 . 1.794(8) ?
B8 H8 . 1.12 ?
B7 B6 . 1.785(7) ?
B7 H7A . 1.12 ?
B6 B5 . 1.793(7) ?
B6 B10 . 1.795(7) ?
B6 H6A . 1.12 ?
B5 B10 . 1.764(7) ?
B5 H5A . 1.12 ?
B10 H10 . 1.12 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
B2 Ge1 B5 . . 89.6(2) ?
B2 Ge1 B4 . . 88.6(2) ?
B5 Ge1 B4 . . 51.48(19) ?
B2 Ge1 B1 . . 51.56(19) ?
B5 Ge1 B1 . . 50.94(18) ?
B4 Ge1 B1 . . 87.97(19) ?
B2 Ge1 B3 . . 50.8(2) ?
B5 Ge1 B3 . . 88.42(19) ?
B4 Ge1 B3 . . 50.58(19) ?
B1 Ge1 B3 . . 87.6(2) ?
B2 Ge1 Cu2 . . 122.43(15) ?
B5 Ge1 Cu2 . . 144.36(14) ?
B4 Ge1 Cu2 . . 134.90(14) ?
B1 Ge1 Cu2 . . 136.44(13) ?
B3 Ge1 Cu2 . . 123.03(14) ?
B2 Ge1 Cu1 . . 55.82(15) ?
B5 Ge1 Cu1 . . 138.05(13) ?
B4 Ge1 Cu1 . . 136.76(14) ?
B1 Ge1 Cu1 . . 87.25(13) ?
B3 Ge1 Cu1 . . 86.28(14) ?
Cu2 Ge1 Cu1 . . 67.10(2) ?
N2 Cu1 P1 . . 87.01(11) ?
N2 Cu1 Ge1 . . 119.96(11) ?
P1 Cu1 Ge1 . . 144.60(4) ?
N2 Cu1 Cu2 . . 112.59(11) ?
P1 Cu1 Cu2 . . 101.63(4) ?
Ge1 Cu1 Cu2 . . 48.916(17) ?
P2 Cu2 N4 . . 85.91(10) ?
P2 Cu2 Ge1 . . 144.39(4) ?
N4 Cu2 Ge1 . . 111.22(10) ?
P2 Cu2 N3 . . 79.37(12) ?
N4 Cu2 N3 . . 103.74(15) ?
Ge1 Cu2 N3 . . 123.01(13) ?
P2 Cu2 Cu1 . . 81.24(4) ?
N4 Cu2 Cu1 . . 132.18(11) ?
Ge1 Cu2 Cu1 . . 63.99(2) ?
N3 Cu2 Cu1 . . 118.54(11) ?
C10 P1 C2 . . 103.1(2) ?
C10 P1 C1 . . 102.3(2) ?
C2 P1 C1 . . 101.2(2) ?
C10 P1 Cu1 . . 99.68(16) ?
C2 P1 Cu1 . . 135.46(16) ?
C1 P1 Cu1 . . 110.64(14) ?
C18 P2 C1 . . 108.6(2) ?
C18 P2 C26 . . 105.2(2) ?
C1 P2 C26 . . 104.6(2) ?
C18 P2 Cu2 . . 106.91(16) ?
C1 P2 Cu2 . . 128.62(15) ?
C26 P2 Cu2 . . 100.57(15) ?
C3 N1 C8 . . 112.5(4) ?
C3 N1 C9 . . 110.8(5) ?
C8 N1 C9 . . 111.6(6) ?
C27 N4 C32 . . 113.9(3) ?
C27 N4 C33 . . 108.7(3) ?
C32 N4 C33 . . 108.6(4) ?
C27 N4 Cu2 . . 110.0(2) ?
C32 N4 Cu2 . . 111.4(3) ?
C33 N4 Cu2 . . 103.7(3) ?
C15 C10 C11 . . 119.2(4) ?
C15 C10 P1 . . 119.8(4) ?
C11 C10 P1 . . 120.8(4) ?
C12 C11 C10 . . 119.2(4) ?
C12 C11 N2 . . 121.3(4) ?
C10 C11 N2 . . 119.5(4) ?
C11 C12 C13 . . 120.7(5) ?
C11 C12 H12 . . 119.7 ?
C13 C12 H12 . . 119.7 ?
C14 C13 C12 . . 120.1(5) ?
C14 C13 H13 . . 120.0 ?
C12 C13 H13 . . 120.0 ?
C15 C14 C13 . . 118.8(5) ?
C15 C14 H14 . . 120.6 ?
C13 C14 H14 . . 120.6 ?
C14 C15 C10 . . 122.0(4) ?
C14 C15 H15 . . 119.0 ?
C10 C15 H15 . . 119.0 ?
C17 N2 C11 . . 109.8(4) ?
C17 N2 C16 . . 109.7(4) ?
C11 N2 C16 . . 108.4(4) ?
C17 N2 Cu1 . . 111.3(3) ?
C11 N2 Cu1 . . 112.2(3) ?
C16 N2 Cu1 . . 105.4(3) ?
N2 C17 H17A . . 109.5 ?
N2 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
N2 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
N2 C16 H16A . . 109.5 ?
N2 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
N2 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C3 C2 C7 . . 120.4(4) ?
C3 C2 P1 . . 116.7(4) ?
C7 C2 P1 . . 122.9(4) ?
C2 C3 C4 . . 117.8(5) ?
C2 C3 N1 . . 117.6(4) ?
C4 C3 N1 . . 124.5(5) ?
N1 C9 H9A . . 109.5 ?
N1 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
N1 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
N1 C8 H8A . . 109.5 ?
N1 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
N1 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C5 C4 C3 . . 122.8(5) ?
C5 C4 H4 . . 118.6 ?
C3 C4 H4 . . 118.6 ?
C4 C5 C6 . . 119.4(5) ?
C4 C5 H5 . . 120.3 ?
C6 C5 H5 . . 120.3 ?
C5 C6 C7 . . 119.4(6) ?
C5 C6 H6 . . 120.3 ?
C7 C6 H6 . . 120.3 ?
C2 C7 C6 . . 119.9(5) ?
C2 C7 H7 . . 120.0 ?
C6 C7 H7 . . 120.0 ?
P2 C1 P1 . . 107.6(2) ?
P2 C1 H1A . . 110.2 ?
P1 C1 H1A . . 110.2 ?
P2 C1 H1B . . 110.2 ?
P1 C1 H1B . . 110.2 ?
H1A C1 H1B . . 108.5 ?
C19 N3 C25 . . 113.2(4) ?
C19 N3 C24 . . 107.4(5) ?
C25 N3 C24 . . 109.0(5) ?
C19 N3 Cu2 . . 110.1(3) ?
C25 N3 Cu2 . . 103.8(4) ?
C24 N3 Cu2 . . 113.4(3) ?
C20 C19 C18 . . 118.8(5) ?
C20 C19 N3 . . 121.8(5) ?
C18 C19 N3 . . 119.4(4) ?
C23 C18 C19 . . 119.7(4) ?
C23 C18 P2 . . 125.1(4) ?
C19 C18 P2 . . 115.0(4) ?
C22 C23 C18 . . 120.2(5) ?
C22 C23 H23 . . 119.9 ?
C18 C23 H23 . . 119.9 ?
C23 C22 C21 . . 120.9(5) ?
C23 C22 H22 . . 119.6 ?
C21 C22 H22 . . 119.6 ?
C22 C21 C20 . . 119.1(5) ?
C22 C21 H21 . . 120.4 ?
C20 C21 H21 . . 120.4 ?
C19 C20 C21 . . 121.3(5) ?
C19 C20 H20 . . 119.4 ?
C21 C20 H20 . . 119.4 ?
N3 C25 H25A . . 109.5 ?
N3 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
N3 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
N3 C24 H24A . . 109.5 ?
N3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C28 C27 C26 . . 117.7(4) ?
C28 C27 N4 . . 122.5(4) ?
C26 C27 N4 . . 119.8(4) ?
C29 C28 C27 . . 120.3(4) ?
C29 C28 H28 . . 119.9 ?
C27 C28 H28 . . 119.9 ?
C30 C29 C28 . . 121.0(4) ?
C30 C29 H29 . . 119.5 ?
C28 C29 H29 . . 119.5 ?
C29 C30 C31 . . 119.2(4) ?
C29 C30 H30 . . 120.4 ?
C31 C30 H30 . . 120.4 ?
C26 C31 C30 . . 120.8(4) ?
C26 C31 H31 . . 119.6 ?
C30 C31 H31 . . 119.6 ?
C31 C26 C27 . . 120.9(4) ?
C31 C26 P2 . . 122.2(3) ?
C27 C26 P2 . . 116.7(3) ?
N4 C32 H32A . . 109.5 ?
N4 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
N4 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
N4 C33 H33A . . 109.5 ?
N4 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
N4 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
B7 B1 B6 . . 61.2(3) ?
B7 B1 B5 . . 108.5(3) ?
B6 B1 B5 . . 59.5(3) ?
B7 B1 B2 . . 60.0(3) ?
B6 B1 B2 . . 109.0(3) ?
B5 B1 B2 . . 108.3(3) ?
B7 B1 Ge1 . . 116.0(3) ?
B6 B1 Ge1 . . 116.2(3) ?
B5 B1 Ge1 . . 64.0(2) ?
B2 B1 Ge1 . . 63.6(2) ?
B7 B1 H1 . . 119.8 ?
B6 B1 H1 . . 119.7 ?
B5 B1 H1 . . 122.2 ?
B2 B1 H1 . . 122.0 ?
Ge1 B1 H1 . . 114.0 ?
B8 B2 B7 . . 59.4(3) ?
B8 B2 B3 . . 57.8(3) ?
B7 B2 B3 . . 105.5(4) ?
B8 B2 B1 . . 104.2(4) ?
B7 B2 B1 . . 56.7(3) ?
B3 B2 B1 . . 107.4(3) ?
B8 B2 Ge1 . . 115.0(3) ?
B7 B2 Ge1 . . 114.2(3) ?
B3 B2 Ge1 . . 65.4(2) ?
B1 B2 Ge1 . . 64.8(2) ?
B8 B2 H2 . . 122.4 ?
B7 B2 H2 . . 122.6 ?
B3 B2 H2 . . 122.6 ?
B1 B2 H2 . . 123.9 ?
Ge1 B2 H2 . . 113.2 ?
B9 B3 B8 . . 60.0(3) ?
B9 B3 B4 . . 58.6(3) ?
B8 B3 B4 . . 107.0(3) ?
B9 B3 B2 . . 108.0(4) ?
B8 B3 B2 . . 60.0(3) ?
B4 B3 B2 . . 108.5(3) ?
B9 B3 Ge1 . . 115.0(3) ?
B8 B3 Ge1 . . 115.4(3) ?
B4 B3 Ge1 . . 64.3(2) ?
B2 B3 Ge1 . . 63.8(2) ?
B9 B3 H3 . . 121.1 ?
B8 B3 H3 . . 120.8 ?
B4 B3 H3 . . 122.5 ?
B2 B3 H3 . . 121.7 ?
Ge1 B3 H3 . . 114.2 ?
B10 B4 B9 . . 60.8(3) ?
B10 B4 B3 . . 107.2(4) ?
B9 B4 B3 . . 58.2(3) ?
B10 B4 B5 . . 58.0(3) ?
B9 B4 B5 . . 106.8(4) ?
B3 B4 B5 . . 108.2(3) ?
B10 B4 Ge1 . . 114.8(3) ?
B9 B4 Ge1 . . 115.4(3) ?
B3 B4 Ge1 . . 65.2(2) ?
B5 B4 Ge1 . . 64.0(2) ?
B10 B4 H4A . . 121.2 ?
B9 B4 H4A . . 121.1 ?
B3 B4 H4A . . 122.2 ?
B5 B4 H4A . . 123.0 ?
Ge1 B4 H4A . . 113.7 ?
B3 B9 B8 . . 60.3(3) ?
B3 B9 B4 . . 63.2(3) ?
B8 B9 B4 . . 110.9(4) ?
B3 B9 B11 . . 109.9(4) ?
B8 B9 B11 . . 60.6(3) ?
B4 B9 B11 . . 109.4(4) ?
B3 B9 B10 . . 110.1(4) ?
B8 B9 B10 . . 108.7(4) ?
B4 B9 B10 . . 59.5(3) ?
B11 B9 B10 . . 60.2(3) ?
B3 B9 H9 . . 119.7 ?
B8 B9 H9 . . 120.9 ?
B4 B9 H9 . . 119.9 ?
B11 B9 H9 . . 121.1 ?
B10 B9 H9 . . 121.7 ?
B9 B11 B6 . . 108.9(4) ?
B9 B11 B8 . . 59.6(3) ?
B6 B11 B8 . . 108.5(4) ?
B9 B11 B10 . . 60.5(3) ?
B6 B11 B10 . . 60.5(3) ?
B8 B11 B10 . . 108.1(4) ?
B9 B11 B7 . . 107.8(4) ?
B6 B11 B7 . . 59.8(3) ?
B8 B11 B7 . . 60.2(3) ?
B10 B11 B7 . . 107.9(4) ?
B9 B11 H11 . . 121.5 ?
B6 B11 H11 . . 121.1 ?
B8 B11 H11 . . 121.7 ?
B10 B11 H11 . . 121.5 ?
B7 B11 H11 . . 122.0 ?
B9 B8 B3 . . 59.7(3) ?
B9 B8 B11 . . 59.8(3) ?
B3 B8 B11 . . 108.8(4) ?
B9 B8 B7 . . 108.1(4) ?
B3 B8 B7 . . 109.8(3) ?
B11 B8 B7 . . 60.3(3) ?
B9 B8 B2 . . 109.6(3) ?
B3 B8 B2 . . 62.2(3) ?
B11 B8 B2 . . 109.6(4) ?
B7 B8 B2 . . 60.4(3) ?
B9 B8 H8 . . 121.9 ?
B3 B8 H8 . . 120.5 ?
B11 B8 H8 . . 121.3 ?
B7 B8 H8 . . 121.3 ?
B2 B8 H8 . . 120.0 ?
B1 B7 B6 . . 59.5(3) ?
B1 B7 B8 . . 110.2(4) ?
B6 B7 B8 . . 107.8(4) ?
B1 B7 B11 . . 108.1(4) ?
B6 B7 B11 . . 59.6(3) ?
B8 B7 B11 . . 59.5(3) ?
B1 B7 B2 . . 63.4(3) ?
B6 B7 B2 . . 110.4(4) ?
B8 B7 B2 . . 60.2(3) ?
B11 B7 B2 . . 108.7(4) ?
B1 B7 H7A . . 120.2 ?
B6 B7 H7A . . 121.8 ?
B8 B7 H7A . . 121.6 ?
B11 B7 H7A . . 122.4 ?
B2 B7 H7A . . 119.6 ?
B1 B6 B11 . . 108.6(4) ?
B1 B6 B7 . . 59.3(3) ?
B11 B6 B7 . . 60.5(3) ?
B1 B6 B5 . . 62.9(3) ?
B11 B6 B5 . . 108.3(4) ?
B7 B6 B5 . . 109.7(3) ?
B1 B6 B10 . . 109.0(4) ?
B11 B6 B10 . . 59.8(3) ?
B7 B6 B10 . . 108.0(4) ?
B5 B6 B10 . . 58.9(3) ?
B1 B6 H6A . . 120.6 ?
B11 B6 H6A . . 121.6 ?
B7 B6 H6A . . 121.5 ?
B5 B6 H6A . . 120.6 ?
B10 B6 H6A . . 122.2 ?
B10 B5 B6 . . 60.6(3) ?
B10 B5 B1 . . 106.0(3) ?
B6 B5 B1 . . 57.5(3) ?
B10 B5 B4 . . 58.1(3) ?
B6 B5 B4 . . 106.6(3) ?
B1 B5 B4 . . 107.4(3) ?
B10 B5 Ge1 . . 115.3(3) ?
B6 B5 Ge1 . . 115.3(3) ?
B1 B5 Ge1 . . 65.0(2) ?
B4 B5 Ge1 . . 64.5(2) ?
B10 B5 H5A . . 121.4 ?
B6 B5 H5A . . 121.4 ?
B1 B5 H5A . . 123.2 ?
B4 B5 H5A . . 123.0 ?
Ge1 B5 H5A . . 113.3 ?
B5 B10 B4 . . 63.9(3) ?
B5 B10 B11 . . 109.4(4) ?
B4 B10 B11 . . 108.8(4) ?
B5 B10 B9 . . 110.4(4) ?
B4 B10 B9 . . 59.7(3) ?
B11 B10 B9 . . 59.3(3) ?
B5 B10 B6 . . 60.5(3) ?
B4 B10 B6 . . 111.0(4) ?
B11 B10 B6 . . 59.7(3) ?
B9 B10 B6 . . 107.4(4) ?
B5 B10 H10 . . 119.2 ?
B4 B10 H10 . . 119.5 ?
B11 B10 H10 . . 122.0 ?
B9 B10 H10 . . 122.2 ?
B6 B10 H10 . . 121.5 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
B2 Ge1 Cu1 N2 . . . . -92.9(2) ?
B5 Ge1 Cu1 N2 . . . . -53.3(2) ?
B4 Ge1 Cu1 N2 . . . . -133.1(2) ?
B1 Ge1 Cu1 N2 . . . . -48.98(18) ?
B3 Ge1 Cu1 N2 . . . . -136.74(19) ?
Cu2 Ge1 Cu1 N2 . . . . 94.91(12) ?
B2 Ge1 Cu1 P1 . . . . 132.07(18) ?
B5 Ge1 Cu1 P1 . . . . 171.7(2) ?
B4 Ge1 Cu1 P1 . . . . 91.9(2) ?
B1 Ge1 Cu1 P1 . . . . 176.04(15) ?
B3 Ge1 Cu1 P1 . . . . 88.28(16) ?
Cu2 Ge1 Cu1 P1 . . . . -40.07(7) ?
B2 Ge1 Cu1 Cu2 . . . . 172.14(17) ?
B5 Ge1 Cu1 Cu2 . . . . -148.2(2) ?
B4 Ge1 Cu1 Cu2 . . . . 132.0(2) ?
B1 Ge1 Cu1 Cu2 . . . . -143.89(13) ?
B3 Ge1 Cu1 Cu2 . . . . 128.35(14) ?
B2 Ge1 Cu2 P2 . . . . 5.78(18) ?
B5 Ge1 Cu2 P2 . . . . 156.3(2) ?
B4 Ge1 Cu2 P2 . . . . -120.6(2) ?
B1 Ge1 Cu2 P2 . . . . 72.2(2) ?
B3 Ge1 Cu2 P2 . . . . -55.50(19) ?
Cu1 Ge1 Cu2 P2 . . . . 13.48(7) ?
B2 Ge1 Cu2 N4 . . . . 120.04(19) ?
B5 Ge1 Cu2 N4 . . . . -89.5(3) ?
B4 Ge1 Cu2 N4 . . . . -6.3(2) ?
B1 Ge1 Cu2 N4 . . . . -173.6(2) ?
B3 Ge1 Cu2 N4 . . . . 58.8(2) ?
Cu1 Ge1 Cu2 N4 . . . . 127.74(11) ?
B2 Ge1 Cu2 N3 . . . . -116.2(2) ?
B5 Ge1 Cu2 N3 . . . . 34.3(3) ?
B4 Ge1 Cu2 N3 . . . . 117.5(2) ?
B1 Ge1 Cu2 N3 . . . . -49.8(2) ?
B3 Ge1 Cu2 N3 . . . . -177.5(2) ?
Cu1 Ge1 Cu2 N3 . . . . -108.48(12) ?
B2 Ge1 Cu2 Cu1 . . . . -7.70(16) ?
B5 Ge1 Cu2 Cu1 . . . . 142.8(2) ?
B4 Ge1 Cu2 Cu1 . . . . -134.06(19) ?
B1 Ge1 Cu2 Cu1 . . . . 58.7(2) ?
B3 Ge1 Cu2 Cu1 . . . . -68.98(18) ?
N2 Cu1 Cu2 P2 . . . . 77.11(12) ?
P1 Cu1 Cu2 P2 . . . . -14.49(5) ?
Ge1 Cu1 Cu2 P2 . . . . -172.11(4) ?
N2 Cu1 Cu2 N4 . . . . 153.40(17) ?
P1 Cu1 Cu2 N4 . . . . 61.81(14) ?
Ge1 Cu1 Cu2 N4 . . . . -95.81(13) ?
N2 Cu1 Cu2 Ge1 . . . . -110.78(11) ?
P1 Cu1 Cu2 Ge1 . . . . 157.62(4) ?
N2 Cu1 Cu2 N3 . . . . 4.34(18) ?
P1 Cu1 Cu2 N3 . . . . -87.26(14) ?
Ge1 Cu1 Cu2 N3 . . . . 115.12(14) ?
N2 Cu1 P1 C10 . . . . -4.88(17) ?
Ge1 Cu1 P1 C10 . . . . 137.27(15) ?
Cu2 Cu1 P1 C10 . . . . 107.57(15) ?
N2 Cu1 P1 C2 . . . . 115.2(2) ?
Ge1 Cu1 P1 C2 . . . . -102.7(2) ?
Cu2 Cu1 P1 C2 . . . . -132.4(2) ?
N2 Cu1 P1 C1 . . . . -112.01(18) ?
Ge1 Cu1 P1 C1 . . . . 30.14(17) ?
Cu2 Cu1 P1 C1 . . . . 0.44(15) ?
N4 Cu2 P2 C18 . . . . 127.57(18) ?
Ge1 Cu2 P2 C18 . . . . -110.86(16) ?
N3 Cu2 P2 C18 . . . . 22.76(19) ?
Cu1 Cu2 P2 C18 . . . . -98.63(15) ?
N4 Cu2 P2 C1 . . . . -100.4(2) ?
Ge1 Cu2 P2 C1 . . . . 21.1(2) ?
N3 Cu2 P2 C1 . . . . 154.8(2) ?
Cu1 Cu2 P2 C1 . . . . 33.38(18) ?
N4 Cu2 P2 C26 . . . . 18.01(17) ?
Ge1 Cu2 P2 C26 . . . . 139.57(14) ?
N3 Cu2 P2 C26 . . . . -86.81(18) ?
Cu1 Cu2 P2 C26 . . . . 151.81(14) ?
P2 Cu2 N4 C27 . . . . -25.1(3) ?
Ge1 Cu2 N4 C27 . . . . -173.0(2) ?
N3 Cu2 N4 C27 . . . . 52.9(3) ?
Cu1 Cu2 N4 C27 . . . . -99.4(3) ?
P2 Cu2 N4 C32 . . . . -152.4(3) ?
Ge1 Cu2 N4 C32 . . . . 59.8(3) ?
N3 Cu2 N4 C32 . . . . -74.4(3) ?
Cu1 Cu2 N4 C32 . . . . 133.3(3) ?
P2 Cu2 N4 C33 . . . . 91.0(3) ?
Ge1 Cu2 N4 C33 . . . . -56.8(3) ?
N3 Cu2 N4 C33 . . . . 169.0(3) ?
Cu1 Cu2 N4 C33 . . . . 16.7(3) ?
C2 P1 C10 C15 . . . . 45.7(4) ?
C1 P1 C10 C15 . . . . -59.1(4) ?
Cu1 P1 C10 C15 . . . . -172.9(3) ?
C2 P1 C10 C11 . . . . -140.1(4) ?
C1 P1 C10 C11 . . . . 115.1(4) ?
Cu1 P1 C10 C11 . . . . 1.4(4) ?
C15 C10 C11 C12 . . . . -2.1(7) ?
P1 C10 C11 C12 . . . . -176.3(4) ?
C15 C10 C11 N2 . . . . 180.0(4) ?
P1 C10 C11 N2 . . . . 5.7(6) ?
C10 C11 C12 C13 . . . . 4.2(8) ?
N2 C11 C12 C13 . . . . -177.9(5) ?
C11 C12 C13 C14 . . . . -4.6(9) ?
C12 C13 C14 C15 . . . . 2.7(8) ?
C13 C14 C15 C10 . . . . -0.6(8) ?
C11 C10 C15 C14 . . . . 0.3(7) ?
P1 C10 C15 C14 . . . . 174.6(4) ?
C12 C11 N2 C17 . . . . 47.8(6) ?
C10 C11 N2 C17 . . . . -134.3(5) ?
C12 C11 N2 C16 . . . . -71.9(6) ?
C10 C11 N2 C16 . . . . 106.0(5) ?
C12 C11 N2 Cu1 . . . . 172.1(4) ?
C10 C11 N2 Cu1 . . . . -10.0(5) ?
P1 Cu1 N2 C17 . . . . 131.9(3) ?
Ge1 Cu1 N2 C17 . . . . -23.9(3) ?
Cu2 Cu1 N2 C17 . . . . 30.5(3) ?
P1 Cu1 N2 C11 . . . . 8.4(3) ?
Ge1 Cu1 N2 C11 . . . . -147.3(3) ?
Cu2 Cu1 N2 C11 . . . . -92.9(3) ?
P1 Cu1 N2 C16 . . . . -109.3(3) ?
Ge1 Cu1 N2 C16 . . . . 94.9(3) ?
Cu2 Cu1 N2 C16 . . . . 149.3(3) ?
C10 P1 C2 C3 . . . . 85.8(4) ?
C1 P1 C2 C3 . . . . -168.6(3) ?
Cu1 P1 C2 C3 . . . . -33.0(4) ?
C10 P1 C2 C7 . . . . -95.8(4) ?
C1 P1 C2 C7 . . . . 9.8(5) ?
Cu1 P1 C2 C7 . . . . 145.4(3) ?
C7 C2 C3 C4 . . . . -4.9(7) ?
P1 C2 C3 C4 . . . . 173.5(4) ?
C7 C2 C3 N1 . . . . 174.1(4) ?
P1 C2 C3 N1 . . . . -7.4(5) ?
C8 N1 C3 C2 . . . . -123.4(6) ?
C9 N1 C3 C2 . . . . 110.9(5) ?
C8 N1 C3 C4 . . . . 55.5(7) ?
C9 N1 C3 C4 . . . . -70.2(6) ?
C2 C3 C4 C5 . . . . 3.0(8) ?
N1 C3 C4 C5 . . . . -175.9(5) ?
C3 C4 C5 C6 . . . . 1.3(8) ?
C4 C5 C6 C7 . . . . -3.8(8) ?
C3 C2 C7 C6 . . . . 2.5(8) ?
P1 C2 C7 C6 . . . . -175.8(4) ?
C5 C6 C7 C2 . . . . 1.9(8) ?
C18 P2 C1 P1 . . . . 91.7(3) ?
C26 P2 C1 P1 . . . . -156.4(2) ?
Cu2 P2 C1 P1 . . . . -39.7(3) ?
C10 P1 C1 P2 . . . . -88.2(2) ?
C2 P1 C1 P2 . . . . 165.6(2) ?
Cu1 P1 C1 P2 . . . . 17.2(2) ?
P2 Cu2 N3 C19 . . . . -27.4(3) ?
N4 Cu2 N3 C19 . . . . -110.5(3) ?
Ge1 Cu2 N3 C19 . . . . 122.4(3) ?
Cu1 Cu2 N3 C19 . . . . 46.4(4) ?
P2 Cu2 N3 C25 . . . . -148.9(3) ?
N4 Cu2 N3 C25 . . . . 128.0(3) ?
Ge1 Cu2 N3 C25 . . . . 0.9(4) ?
Cu1 Cu2 N3 C25 . . . . -75.1(3) ?
P2 Cu2 N3 C24 . . . . 92.9(4) ?
N4 Cu2 N3 C24 . . . . 9.9(4) ?
Ge1 Cu2 N3 C24 . . . . -117.2(4) ?
Cu1 Cu2 N3 C24 . . . . 166.8(4) ?
C25 N3 C19 C20 . . . . -40.7(7) ?
C24 N3 C19 C20 . . . . 79.6(6) ?
Cu2 N3 C19 C20 . . . . -156.4(4) ?
C25 N3 C19 C18 . . . . 139.3(5) ?
C24 N3 C19 C18 . . . . -100.3(5) ?
Cu2 N3 C19 C18 . . . . 23.6(6) ?
C20 C19 C18 C23 . . . . 0.9(7) ?
N3 C19 C18 C23 . . . . -179.2(4) ?
C20 C19 C18 P2 . . . . 176.3(4) ?
N3 C19 C18 P2 . . . . -3.7(6) ?
C1 P2 C18 C23 . . . . 13.2(5) ?
C26 P2 C18 C23 . . . . -98.3(4) ?
Cu2 P2 C18 C23 . . . . 155.4(4) ?
C1 P2 C18 C19 . . . . -162.0(4) ?
C26 P2 C18 C19 . . . . 86.6(4) ?
Cu2 P2 C18 C19 . . . . -19.7(4) ?
C19 C18 C23 C22 . . . . -0.1(7) ?
P2 C18 C23 C22 . . . . -175.0(4) ?
C18 C23 C22 C21 . . . . -1.6(7) ?
C23 C22 C21 C20 . . . . 2.3(8) ?
C18 C19 C20 C21 . . . . -0.1(8) ?
N3 C19 C20 C21 . . . . 179.9(5) ?
C22 C21 C20 C19 . . . . -1.5(8) ?
C32 N4 C27 C28 . . . . -31.2(6) ?
C33 N4 C27 C28 . . . . 90.0(5) ?
Cu2 N4 C27 C28 . . . . -157.1(4) ?
C32 N4 C27 C26 . . . . 150.4(4) ?
C33 N4 C27 C26 . . . . -88.4(5) ?
Cu2 N4 C27 C26 . . . . 24.5(5) ?
C26 C27 C28 C29 . . . . 0.5(7) ?
N4 C27 C28 C29 . . . . -177.9(4) ?
C27 C28 C29 C30 . . . . 1.7(8) ?
C28 C29 C30 C31 . . . . -1.3(8) ?
C29 C30 C31 C26 . . . . -1.3(7) ?
C30 C31 C26 C27 . . . . 3.6(7) ?
C30 C31 C26 P2 . . . . -172.4(4) ?
C28 C27 C26 C31 . . . . -3.1(7) ?
N4 C27 C26 C31 . . . . 175.4(4) ?
C28 C27 C26 P2 . . . . 173.1(4) ?
N4 C27 C26 P2 . . . . -8.4(5) ?
C18 P2 C26 C31 . . . . 53.5(4) ?
C1 P2 C26 C31 . . . . -60.8(4) ?
Cu2 P2 C26 C31 . . . . 164.4(3) ?
C18 P2 C26 C27 . . . . -122.7(4) ?
C1 P2 C26 C27 . . . . 123.0(3) ?
Cu2 P2 C26 C27 . . . . -11.7(3) ?
B2 Ge1 B1 B7 . . . . -30.2(3) ?
B5 Ge1 B1 B7 . . . . 98.9(4) ?
B4 Ge1 B1 B7 . . . . 59.6(3) ?
B3 Ge1 B1 B7 . . . . 9.0(3) ?
Cu2 Ge1 B1 B7 . . . . -129.4(3) ?
Cu1 Ge1 B1 B7 . . . . -77.4(3) ?
B2 Ge1 B1 B6 . . . . -99.3(4) ?
B5 Ge1 B1 B6 . . . . 29.8(3) ?
B4 Ge1 B1 B6 . . . . -9.5(3) ?
B3 Ge1 B1 B6 . . . . -60.1(3) ?
Cu2 Ge1 B1 B6 . . . . 161.5(2) ?
Cu1 Ge1 B1 B6 . . . . -146.5(3) ?
B2 Ge1 B1 B5 . . . . -129.2(3) ?
B4 Ge1 B1 B5 . . . . -39.3(2) ?
B3 Ge1 B1 B5 . . . . -89.9(2) ?
Cu2 Ge1 B1 B5 . . . . 131.7(2) ?
Cu1 Ge1 B1 B5 . . . . -176.3(2) ?
B5 Ge1 B1 B2 . . . . 129.2(3) ?
B4 Ge1 B1 B2 . . . . 89.8(2) ?
B3 Ge1 B1 B2 . . . . 39.2(2) ?
Cu2 Ge1 B1 B2 . . . . -99.1(2) ?
Cu1 Ge1 B1 B2 . . . . -47.2(2) ?
B7 B1 B2 B8 . . . . 37.2(3) ?
B6 B1 B2 B8 . . . . -0.8(4) ?
B5 B1 B2 B8 . . . . -64.0(4) ?
Ge1 B1 B2 B8 . . . . -111.3(3) ?
B6 B1 B2 B7 . . . . -38.0(3) ?
B5 B1 B2 B7 . . . . -101.2(4) ?
Ge1 B1 B2 B7 . . . . -148.5(3) ?
B7 B1 B2 B3 . . . . 97.5(4) ?
B6 B1 B2 B3 . . . . 59.4(4) ?
B5 B1 B2 B3 . . . . -3.8(4) ?
Ge1 B1 B2 B3 . . . . -51.0(3) ?
B7 B1 B2 Ge1 . . . . 148.5(3) ?
B6 B1 B2 Ge1 . . . . 110.4(3) ?
B5 B1 B2 Ge1 . . . . 47.2(3) ?
B5 Ge1 B2 B8 . . . . 57.6(3) ?
B4 Ge1 B2 B8 . . . . 6.1(3) ?
B1 Ge1 B2 B8 . . . . 94.6(4) ?
B3 Ge1 B2 B8 . . . . -30.7(3) ?
Cu2 Ge1 B2 B8 . . . . -139.1(3) ?
Cu1 Ge1 B2 B8 . . . . -147.7(4) ?
B5 Ge1 B2 B7 . . . . -8.4(3) ?
B4 Ge1 B2 B7 . . . . -59.9(3) ?
B1 Ge1 B2 B7 . . . . 28.6(3) ?
B3 Ge1 B2 B7 . . . . -96.7(4) ?
Cu2 Ge1 B2 B7 . . . . 154.9(3) ?
Cu1 Ge1 B2 B7 . . . . 146.3(4) ?
B5 Ge1 B2 B3 . . . . 88.3(2) ?
B4 Ge1 B2 B3 . . . . 36.8(3) ?
B1 Ge1 B2 B3 . . . . 125.3(3) ?
Cu2 Ge1 B2 B3 . . . . -108.4(2) ?
Cu1 Ge1 B2 B3 . . . . -116.9(3) ?
B5 Ge1 B2 B1 . . . . -37.0(2) ?
B4 Ge1 B2 B1 . . . . -88.5(2) ?
B3 Ge1 B2 B1 . . . . -125.3(3) ?
Cu2 Ge1 B2 B1 . . . . 126.29(19) ?
Cu1 Ge1 B2 B1 . . . . 117.7(2) ?
B8 B2 B3 B9 . . . . 37.3(3) ?
B7 B2 B3 B9 . . . . 0.4(4) ?
B1 B2 B3 B9 . . . . -58.9(4) ?
Ge1 B2 B3 B9 . . . . -109.6(3) ?
B7 B2 B3 B8 . . . . -36.9(3) ?
B1 B2 B3 B8 . . . . -96.2(4) ?
Ge1 B2 B3 B8 . . . . -146.8(3) ?
B8 B2 B3 B4 . . . . 99.3(4) ?
B7 B2 B3 B4 . . . . 62.5(4) ?
B1 B2 B3 B4 . . . . 3.2(4) ?
Ge1 B2 B3 B4 . . . . -47.5(3) ?
B8 B2 B3 Ge1 . . . . 146.8(3) ?
B7 B2 B3 Ge1 . . . . 110.0(3) ?
B1 B2 B3 Ge1 . . . . 50.7(3) ?
B2 Ge1 B3 B9 . . . . 98.7(4) ?
B5 Ge1 B3 B9 . . . . 8.0(4) ?
B4 Ge1 B3 B9 . . . . -30.4(3) ?
B1 Ge1 B3 B9 . . . . 58.9(4) ?
Cu2 Ge1 B3 B9 . . . . -154.1(3) ?
Cu1 Ge1 B3 B9 . . . . 146.3(3) ?
B2 Ge1 B3 B8 . . . . 31.6(3) ?
B5 Ge1 B3 B8 . . . . -59.1(3) ?
B4 Ge1 B3 B8 . . . . -97.5(4) ?
B1 Ge1 B3 B8 . . . . -8.1(3) ?
Cu2 Ge1 B3 B8 . . . . 138.8(3) ?
Cu1 Ge1 B3 B8 . . . . 79.3(3) ?
B2 Ge1 B3 B4 . . . . 129.1(3) ?
B5 Ge1 B3 B4 . . . . 38.4(3) ?
B1 Ge1 B3 B4 . . . . 89.4(3) ?
Cu2 Ge1 B3 B4 . . . . -123.7(2) ?
Cu1 Ge1 B3 B4 . . . . 176.8(2) ?
B5 Ge1 B3 B2 . . . . -90.7(3) ?
B4 Ge1 B3 B2 . . . . -129.1(3) ?
B1 Ge1 B3 B2 . . . . -39.8(2) ?
Cu2 Ge1 B3 B2 . . . . 107.2(2) ?
Cu1 Ge1 B3 B2 . . . . 47.6(2) ?
B9 B3 B4 B10 . . . . 37.6(3) ?
B8 B3 B4 B10 . . . . 0.7(5) ?
B2 B3 B4 B10 . . . . -62.6(4) ?
Ge1 B3 B4 B10 . . . . -109.9(3) ?
B8 B3 B4 B9 . . . . -36.9(3) ?
B2 B3 B4 B9 . . . . -100.2(4) ?
Ge1 B3 B4 B9 . . . . -147.5(3) ?
B9 B3 B4 B5 . . . . 98.8(4) ?
B8 B3 B4 B5 . . . . 61.9(4) ?
B2 B3 B4 B5 . . . . -1.4(5) ?
Ge1 B3 B4 B5 . . . . -48.7(3) ?
B9 B3 B4 Ge1 . . . . 147.5(3) ?
B8 B3 B4 Ge1 . . . . 110.6(3) ?
B2 B3 B4 Ge1 . . . . 47.3(3) ?
B2 Ge1 B4 B10 . . . . 61.4(3) ?
B5 Ge1 B4 B10 . . . . -29.1(3) ?
B1 Ge1 B4 B10 . . . . 9.8(3) ?
B3 Ge1 B4 B10 . . . . 98.4(4) ?
Cu2 Ge1 B4 B10 . . . . -161.4(2) ?
Cu1 Ge1 B4 B10 . . . . 93.7(3) ?
B2 Ge1 B4 B9 . . . . -6.6(3) ?
B5 Ge1 B4 B9 . . . . -97.1(4) ?
B1 Ge1 B4 B9 . . . . -58.1(3) ?
B3 Ge1 B4 B9 . . . . 30.4(3) ?
Cu2 Ge1 B4 B9 . . . . 130.6(3) ?
Cu1 Ge1 B4 B9 . . . . 25.7(4) ?
B2 Ge1 B4 B3 . . . . -37.0(3) ?
B5 Ge1 B4 B3 . . . . -127.5(3) ?
B1 Ge1 B4 B3 . . . . -88.5(3) ?
Cu2 Ge1 B4 B3 . . . . 100.2(2) ?
Cu1 Ge1 B4 B3 . . . . -4.7(3) ?
B2 Ge1 B4 B5 . . . . 90.5(2) ?
B1 Ge1 B4 B5 . . . . 38.9(2) ?
B3 Ge1 B4 B5 . . . . 127.5(3) ?
Cu2 Ge1 B4 B5 . . . . -132.3(2) ?
Cu1 Ge1 B4 B5 . . . . 122.8(2) ?
B4 B3 B9 B8 . . . . -138.4(4) ?
B2 B3 B9 B8 . . . . -37.3(3) ?
Ge1 B3 B9 B8 . . . . -106.2(4) ?
B8 B3 B9 B4 . . . . 138.4(4) ?
B2 B3 B9 B4 . . . . 101.1(4) ?
Ge1 B3 B9 B4 . . . . 32.3(3) ?
B8 B3 B9 B11 . . . . 36.1(3) ?
B4 B3 B9 B11 . . . . -102.3(4) ?
B2 B3 B9 B11 . . . . -1.1(5) ?
Ge1 B3 B9 B11 . . . . -70.0(4) ?
B8 B3 B9 B10 . . . . 100.7(4) ?
B4 B3 B9 B10 . . . . -37.8(4) ?
B2 B3 B9 B10 . . . . 63.4(5) ?
Ge1 B3 B9 B10 . . . . -5.5(5) ?
B10 B4 B9 B3 . . . . -138.1(4) ?
B5 B4 B9 B3 . . . . -101.4(4) ?
Ge1 B4 B9 B3 . . . . -32.7(3) ?
B10 B4 B9 B8 . . . . -100.1(4) ?
B3 B4 B9 B8 . . . . 38.1(4) ?
B5 B4 B9 B8 . . . . -63.3(4) ?
Ge1 B4 B9 B8 . . . . 5.4(5) ?
B10 B4 B9 B11 . . . . -35.1(4) ?
B3 B4 B9 B11 . . . . 103.1(4) ?
B5 B4 B9 B11 . . . . 1.7(5) ?
Ge1 B4 B9 B11 . . . . 70.4(4) ?
B3 B4 B9 B10 . . . . 138.1(4) ?
B5 B4 B9 B10 . . . . 36.8(3) ?
Ge1 B4 B9 B10 . . . . 105.4(4) ?
B3 B9 B11 B6 . . . . 64.8(4) ?
B8 B9 B11 B6 . . . . 100.8(4) ?
B4 B9 B11 B6 . . . . -2.7(5) ?
B10 B9 B11 B6 . . . . -37.5(3) ?
B3 B9 B11 B8 . . . . -36.0(3) ?
B4 B9 B11 B8 . . . . -103.6(4) ?
B10 B9 B11 B8 . . . . -138.4(4) ?
B3 B9 B11 B10 . . . . 102.3(4) ?
B8 B9 B11 B10 . . . . 138.4(4) ?
B4 B9 B11 B10 . . . . 34.8(3) ?
B3 B9 B11 B7 . . . . 1.4(5) ?
B8 B9 B11 B7 . . . . 37.4(3) ?
B4 B9 B11 B7 . . . . -66.1(5) ?
B10 B9 B11 B7 . . . . -100.9(4) ?
B4 B9 B8 B3 . . . . -39.3(4) ?
B11 B9 B8 B3 . . . . -140.5(4) ?
B10 B9 B8 B3 . . . . -102.9(4) ?
B3 B9 B8 B11 . . . . 140.5(4) ?
B4 B9 B8 B11 . . . . 101.1(4) ?
B10 B9 B8 B11 . . . . 37.5(3) ?
B3 B9 B8 B7 . . . . 102.9(4) ?
B4 B9 B8 B7 . . . . 63.5(5) ?
B11 B9 B8 B7 . . . . -37.6(3) ?
B10 B9 B8 B7 . . . . -0.1(5) ?
B3 B9 B8 B2 . . . . 38.6(3) ?
B4 B9 B8 B2 . . . . -0.7(5) ?
B11 B9 B8 B2 . . . . -101.8(4) ?
B10 B9 B8 B2 . . . . -64.3(5) ?
B4 B3 B8 B9 . . . . 36.3(3) ?
B2 B3 B8 B9 . . . . 138.3(4) ?
Ge1 B3 B8 B9 . . . . 105.4(4) ?
B9 B3 B8 B11 . . . . -35.5(3) ?
B4 B3 B8 B11 . . . . 0.8(5) ?
B2 B3 B8 B11 . . . . 102.7(4) ?
Ge1 B3 B8 B11 . . . . 69.8(4) ?
B9 B3 B8 B7 . . . . -99.9(4) ?
B4 B3 B8 B7 . . . . -63.6(4) ?
B2 B3 B8 B7 . . . . 38.4(3) ?
Ge1 B3 B8 B7 . . . . 5.5(5) ?
B9 B3 B8 B2 . . . . -138.3(4) ?
B4 B3 B8 B2 . . . . -102.0(4) ?
Ge1 B3 B8 B2 . . . . -32.9(3) ?
B6 B11 B8 B9 . . . . -101.5(4) ?
B10 B11 B8 B9 . . . . -37.5(3) ?
B7 B11 B8 B9 . . . . -138.1(4) ?
B9 B11 B8 B3 . . . . 35.5(3) ?
B6 B11 B8 B3 . . . . -66.0(5) ?
B10 B11 B8 B3 . . . . -1.9(5) ?
B7 B11 B8 B3 . . . . -102.6(4) ?
B9 B11 B8 B7 . . . . 138.1(4) ?
B6 B11 B8 B7 . . . . 36.6(3) ?
B10 B11 B8 B7 . . . . 100.7(4) ?
B9 B11 B8 B2 . . . . 101.8(4) ?
B6 B11 B8 B2 . . . . 0.3(5) ?
B10 B11 B8 B2 . . . . 64.3(5) ?
B7 B11 B8 B2 . . . . -36.3(3) ?
B7 B2 B8 B9 . . . . 100.2(4) ?
B3 B2 B8 B9 . . . . -37.6(3) ?
B1 B2 B8 B9 . . . . 64.2(4) ?
Ge1 B2 B8 B9 . . . . -4.3(5) ?
B7 B2 B8 B3 . . . . 137.8(4) ?
B1 B2 B8 B3 . . . . 101.8(3) ?
Ge1 B2 B8 B3 . . . . 33.3(3) ?
B7 B2 B8 B11 . . . . 36.3(4) ?
B3 B2 B8 B11 . . . . -101.5(4) ?
B1 B2 B8 B11 . . . . 0.3(5) ?
Ge1 B2 B8 B11 . . . . -68.2(4) ?
B3 B2 B8 B7 . . . . -137.8(4) ?
B1 B2 B8 B7 . . . . -36.0(3) ?
Ge1 B2 B8 B7 . . . . -104.5(4) ?
B5 B1 B7 B6 . . . . -37.5(3) ?
B2 B1 B7 B6 . . . . -138.4(4) ?
Ge1 B1 B7 B6 . . . . -106.9(3) ?
B6 B1 B7 B8 . . . . 99.3(4) ?
B5 B1 B7 B8 . . . . 61.8(4) ?
B2 B1 B7 B8 . . . . -39.1(3) ?
Ge1 B1 B7 B8 . . . . -7.7(5) ?
B6 B1 B7 B11 . . . . 36.0(3) ?
B5 B1 B7 B11 . . . . -1.5(5) ?
B2 B1 B7 B11 . . . . -102.4(4) ?
Ge1 B1 B7 B11 . . . . -71.0(4) ?
B6 B1 B7 B2 . . . . 138.4(4) ?
B5 B1 B7 B2 . . . . 100.9(4) ?
Ge1 B1 B7 B2 . . . . 31.4(3) ?
B9 B8 B7 B1 . . . . -62.2(4) ?
B3 B8 B7 B1 . . . . 1.3(5) ?
B11 B8 B7 B1 . . . . -99.6(4) ?
B2 B8 B7 B1 . . . . 40.5(3) ?
B9 B8 B7 B6 . . . . 1.0(5) ?
B3 B8 B7 B6 . . . . 64.6(4) ?
B11 B8 B7 B6 . . . . -36.3(3) ?
B2 B8 B7 B6 . . . . 103.7(4) ?
B9 B8 B7 B11 . . . . 37.4(3) ?
B3 B8 B7 B11 . . . . 100.9(4) ?
B2 B8 B7 B11 . . . . 140.1(4) ?
B9 B8 B7 B2 . . . . -102.7(4) ?
B3 B8 B7 B2 . . . . -39.2(3) ?
B11 B8 B7 B2 . . . . -140.1(4) ?
B9 B11 B7 B1 . . . . 66.1(4) ?
B6 B11 B7 B1 . . . . -35.9(3) ?
B8 B11 B7 B1 . . . . 103.2(4) ?
B10 B11 B7 B1 . . . . 2.2(5) ?
B9 B11 B7 B6 . . . . 102.0(4) ?
B8 B11 B7 B6 . . . . 139.2(4) ?
B10 B11 B7 B6 . . . . 38.1(3) ?
B9 B11 B7 B8 . . . . -37.2(3) ?
B6 B11 B7 B8 . . . . -139.2(4) ?
B10 B11 B7 B8 . . . . -101.1(4) ?
B9 B11 B7 B2 . . . . -1.1(5) ?
B6 B11 B7 B2 . . . . -103.1(4) ?
B8 B11 B7 B2 . . . . 36.0(3) ?
B10 B11 B7 B2 . . . . -65.0(5) ?
B8 B2 B7 B1 . . . . -137.0(4) ?
B3 B2 B7 B1 . . . . -100.9(3) ?
Ge1 B2 B7 B1 . . . . -31.2(3) ?
B8 B2 B7 B6 . . . . -99.4(4) ?
B3 B2 B7 B6 . . . . -63.2(4) ?
B1 B2 B7 B6 . . . . 37.7(3) ?
Ge1 B2 B7 B6 . . . . 6.4(5) ?
B3 B2 B7 B8 . . . . 36.2(3) ?
B1 B2 B7 B8 . . . . 137.0(4) ?
Ge1 B2 B7 B8 . . . . 105.8(3) ?
B8 B2 B7 B11 . . . . -35.7(3) ?
B3 B2 B7 B11 . . . . 0.5(4) ?
B1 B2 B7 B11 . . . . 101.3(4) ?
Ge1 B2 B7 B11 . . . . 70.1(4) ?
B7 B1 B6 B11 . . . . -36.5(4) ?
B5 B1 B6 B11 . . . . 101.5(4) ?
B2 B1 B6 B11 . . . . 1.0(5) ?
Ge1 B1 B6 B11 . . . . 70.3(4) ?
B5 B1 B6 B7 . . . . 138.0(4) ?
B2 B1 B6 B7 . . . . 37.5(3) ?
Ge1 B1 B6 B7 . . . . 106.8(4) ?
B7 B1 B6 B5 . . . . -138.0(4) ?
B2 B1 B6 B5 . . . . -100.5(4) ?
Ge1 B1 B6 B5 . . . . -31.2(3) ?
B7 B1 B6 B10 . . . . -100.1(4) ?
B5 B1 B6 B10 . . . . 37.9(3) ?
B2 B1 B6 B10 . . . . -62.6(4) ?
Ge1 B1 B6 B10 . . . . 6.7(5) ?
B9 B11 B6 B1 . . . . -64.1(5) ?
B8 B11 B6 B1 . . . . -0.8(5) ?
B10 B11 B6 B1 . . . . -101.6(4) ?
B7 B11 B6 B1 . . . . 35.9(3) ?
B9 B11 B6 B7 . . . . -100.0(4) ?
B8 B11 B6 B7 . . . . -36.7(3) ?
B10 B11 B6 B7 . . . . -137.6(4) ?
B9 B11 B6 B5 . . . . 2.7(5) ?
B8 B11 B6 B5 . . . . 66.0(5) ?
B10 B11 B6 B5 . . . . -34.8(3) ?
B7 B11 B6 B5 . . . . 102.7(4) ?
B9 B11 B6 B10 . . . . 37.5(3) ?
B8 B11 B6 B10 . . . . 100.8(4) ?
B7 B11 B6 B10 . . . . 137.6(4) ?
B8 B7 B6 B1 . . . . -103.4(4) ?
B11 B7 B6 B1 . . . . -139.7(4) ?
B2 B7 B6 B1 . . . . -39.3(3) ?
B1 B7 B6 B11 . . . . 139.7(4) ?
B8 B7 B6 B11 . . . . 36.3(3) ?
B2 B7 B6 B11 . . . . 100.3(4) ?
B1 B7 B6 B5 . . . . 39.3(3) ?
B8 B7 B6 B5 . . . . -64.1(4) ?
B11 B7 B6 B5 . . . . -100.4(4) ?
B2 B7 B6 B5 . . . . -0.1(5) ?
B1 B7 B6 B10 . . . . 101.8(4) ?
B8 B7 B6 B10 . . . . -1.6(5) ?
B11 B7 B6 B10 . . . . -37.8(3) ?
B2 B7 B6 B10 . . . . 62.5(5) ?
B1 B6 B5 B10 . . . . 137.3(4) ?
B11 B6 B5 B10 . . . . 35.2(3) ?
B7 B6 B5 B10 . . . . 99.6(4) ?
B11 B6 B5 B1 . . . . -102.0(4) ?
B7 B6 B5 B1 . . . . -37.6(3) ?
B10 B6 B5 B1 . . . . -137.3(4) ?
B1 B6 B5 B4 . . . . 100.4(4) ?
B11 B6 B5 B4 . . . . -1.6(4) ?
B7 B6 B5 B4 . . . . 62.8(4) ?
B10 B6 B5 B4 . . . . -36.8(3) ?
B1 B6 B5 Ge1 . . . . 31.3(3) ?
B11 B6 B5 Ge1 . . . . -70.8(4) ?
B7 B6 B5 Ge1 . . . . -6.4(5) ?
B10 B6 B5 Ge1 . . . . -106.0(3) ?
B7 B1 B5 B10 . . . . 0.2(4) ?
B6 B1 B5 B10 . . . . -38.0(3) ?
B2 B1 B5 B10 . . . . 63.8(4) ?
Ge1 B1 B5 B10 . . . . 110.8(3) ?
B7 B1 B5 B6 . . . . 38.2(3) ?
B2 B1 B5 B6 . . . . 101.8(4) ?
Ge1 B1 B5 B6 . . . . 148.8(3) ?
B7 B1 B5 B4 . . . . -60.7(4) ?
B6 B1 B5 B4 . . . . -98.9(4) ?
B2 B1 B5 B4 . . . . 2.9(4) ?
Ge1 B1 B5 B4 . . . . 49.9(3) ?
B7 B1 B5 Ge1 . . . . -110.6(3) ?
B6 B1 B5 Ge1 . . . . -148.8(3) ?
B2 B1 B5 Ge1 . . . . -47.0(3) ?
B9 B4 B5 B10 . . . . -38.0(3) ?
B3 B4 B5 B10 . . . . -99.3(4) ?
Ge1 B4 B5 B10 . . . . -148.6(3) ?
B10 B4 B5 B6 . . . . 38.0(3) ?
B9 B4 B5 B6 . . . . 0.0(4) ?
B3 B4 B5 B6 . . . . -61.4(4) ?
Ge1 B4 B5 B6 . . . . -110.6(3) ?
B10 B4 B5 B1 . . . . 98.4(4) ?
B9 B4 B5 B1 . . . . 60.4(4) ?
B3 B4 B5 B1 . . . . -1.0(4) ?
Ge1 B4 B5 B1 . . . . -50.2(3) ?
B10 B4 B5 Ge1 . . . . 148.6(3) ?
B9 B4 B5 Ge1 . . . . 110.6(3) ?
B3 B4 B5 Ge1 . . . . 49.3(3) ?
B2 Ge1 B5 B10 . . . . -59.3(3) ?
B4 Ge1 B5 B10 . . . . 29.2(3) ?
B1 Ge1 B5 B10 . . . . -96.7(4) ?
B3 Ge1 B5 B10 . . . . -8.6(3) ?
Cu2 Ge1 B5 B10 . . . . 145.2(2) ?
Cu1 Ge1 B5 B10 . . . . -91.2(3) ?
B2 Ge1 B5 B6 . . . . 8.5(3) ?
B4 Ge1 B5 B6 . . . . 97.1(4) ?
B1 Ge1 B5 B6 . . . . -28.9(3) ?
B3 Ge1 B5 B6 . . . . 59.3(3) ?
Cu2 Ge1 B5 B6 . . . . -146.9(2) ?
Cu1 Ge1 B5 B6 . . . . -23.4(4) ?
B2 Ge1 B5 B1 . . . . 37.4(2) ?
B4 Ge1 B5 B1 . . . . 126.0(3) ?
B3 Ge1 B5 B1 . . . . 88.2(3) ?
Cu2 Ge1 B5 B1 . . . . -118.0(2) ?
Cu1 Ge1 B5 B1 . . . . 5.5(3) ?
B2 Ge1 B5 B4 . . . . -88.6(2) ?
B1 Ge1 B5 B4 . . . . -126.0(3) ?
B3 Ge1 B5 B4 . . . . -37.8(2) ?
Cu2 Ge1 B5 B4 . . . . 116.0(2) ?
Cu1 Ge1 B5 B4 . . . . -120.5(2) ?
B6 B5 B10 B4 . . . . -137.4(4) ?
B1 B5 B10 B4 . . . . -100.8(3) ?
Ge1 B5 B10 B4 . . . . -31.3(3) ?
B6 B5 B10 B11 . . . . -35.4(3) ?
B1 B5 B10 B11 . . . . 1.1(5) ?
B4 B5 B10 B11 . . . . 102.0(4) ?
Ge1 B5 B10 B11 . . . . 70.7(4) ?
B6 B5 B10 B9 . . . . -98.9(4) ?
B1 B5 B10 B9 . . . . -62.4(4) ?
B4 B5 B10 B9 . . . . 38.5(3) ?
Ge1 B5 B10 B9 . . . . 7.2(5) ?
B1 B5 B10 B6 . . . . 36.6(3) ?
B4 B5 B10 B6 . . . . 137.4(4) ?
Ge1 B5 B10 B6 . . . . 106.1(3) ?
B9 B4 B10 B5 . . . . 137.5(4) ?
B3 B4 B10 B5 . . . . 101.1(4) ?
Ge1 B4 B10 B5 . . . . 31.0(3) ?
B9 B4 B10 B11 . . . . 34.6(3) ?
B3 B4 B10 B11 . . . . -1.9(5) ?
B5 B4 B10 B11 . . . . -103.0(4) ?
Ge1 B4 B10 B11 . . . . -71.9(4) ?
B3 B4 B10 B9 . . . . -36.4(3) ?
B5 B4 B10 B9 . . . . -137.5(4) ?
Ge1 B4 B10 B9 . . . . -106.5(3) ?
B9 B4 B10 B6 . . . . 98.4(4) ?
B3 B4 B10 B6 . . . . 62.0(4) ?
B5 B4 B10 B6 . . . . -39.1(3) ?
Ge1 B4 B10 B6 . . . . -8.1(5) ?
B9 B11 B10 B5 . . . . -102.8(4) ?
B6 B11 B10 B5 . . . . 35.8(3) ?
B8 B11 B10 B5 . . . . -65.7(5) ?
B7 B11 B10 B5 . . . . -2.1(5) ?
B9 B11 B10 B4 . . . . -34.7(3) ?
B6 B11 B10 B4 . . . . 103.8(4) ?
B8 B11 B10 B4 . . . . 2.4(5) ?
B7 B11 B10 B4 . . . . 66.0(5) ?
B6 B11 B10 B9 . . . . 138.5(4) ?
B8 B11 B10 B9 . . . . 37.1(4) ?
B7 B11 B10 B9 . . . . 100.7(4) ?
B9 B11 B10 B6 . . . . -138.5(4) ?
B8 B11 B10 B6 . . . . -101.5(4) ?
B7 B11 B10 B6 . . . . -37.8(3) ?
B3 B9 B10 B5 . . . . -1.0(5) ?
B8 B9 B10 B5 . . . . 63.4(5) ?
B4 B9 B10 B5 . . . . -40.3(3) ?
B11 B9 B10 B5 . . . . 101.0(4) ?
B3 B9 B10 B4 . . . . 39.4(4) ?
B8 B9 B10 B4 . . . . 103.7(4) ?
B11 B9 B10 B4 . . . . 141.4(4) ?
B3 B9 B10 B11 . . . . -102.0(4) ?
B8 B9 B10 B11 . . . . -37.7(3) ?
B4 B9 B10 B11 . . . . -141.4(4) ?
B3 B9 B10 B6 . . . . -65.2(5) ?
B8 B9 B10 B6 . . . . -0.9(5) ?
B4 B9 B10 B6 . . . . -104.6(4) ?
B11 B9 B10 B6 . . . . 36.8(3) ?
B1 B6 B10 B5 . . . . -39.7(3) ?
B11 B6 B10 B5 . . . . -140.7(4) ?
B7 B6 B10 B5 . . . . -102.5(4) ?
B1 B6 B10 B4 . . . . 0.9(5) ?
B11 B6 B10 B4 . . . . -100.1(4) ?
B7 B6 B10 B4 . . . . -61.9(4) ?
B5 B6 B10 B4 . . . . 40.6(3) ?
B1 B6 B10 B11 . . . . 101.0(4) ?
B7 B6 B10 B11 . . . . 38.2(3) ?
B5 B6 B10 B11 . . . . 140.7(4) ?
B1 B6 B10 B9 . . . . 64.3(4) ?
B11 B6 B10 B9 . . . . -36.6(3) ?
B7 B6 B10 B9 . . . . 1.5(5) ?
B5 B6 B10 B9 . . . . 104.1(4) ?

_database_code_depnum_ccdc_archive 'CCDC 992552'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_I
_chemical_name_systematic        ?
_chemical_name_common            HS282
_chemical_formula_moiety         
'C38 H53 B11 Cu2 Mo N4 O5 P2 Sn, 0.5(C6 H6), 3(C H2 Cl2)'
_chemical_formula_sum            'C44 H62 B11 Cl6 Cu2 Mo N4 O5 P2 Sn'
_chemical_formula_iupac          ?
_chemical_formula_weight         1462.24

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.8799(4)
_cell_length_b                   11.6874(2)
_cell_length_c                   26.0583(5)
_cell_angle_alpha                90
_cell_angle_beta                 92.8580(10)
_cell_angle_gamma                90
_cell_volume                     6047.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    139
_cell_measurement_theta_min      3.6226
_cell_measurement_theta_max      23.9407
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.110
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2924

_exptl_absorpt_coefficient_mu    1.668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_T_max  0.84

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   ?
_diffrn_source_type              'fine-focus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            81077
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         27.90
_diffrn_reflns_theta_full        27.90
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       31

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             14434
_reflns_number_gt                11912
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0439
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1189
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_number_reflns         14434
_refine_ls_number_parameters     685
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0505P)²+25.8723P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.119
_refine_diff_density_min         -1.607
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.180693(12) 0.56419(2) 0.364947(10) 0.01774(7) Uani d . 1 . .
Mo Mo1 0.110263(16) 0.61289(3) 0.450864(12) 0.02016(8) Uani d . 1 . .
Cu Cu2 0.33977(2) 0.83533(4) 0.343435(18) 0.01961(10) Uani d . 1 . .
Cu Cu1 0.20102(2) 0.83721(4) 0.253435(17) 0.01709(10) Uani d . 1 . .
Cl Cl5 0.31084(11) 0.13905(16) 0.02968(6) 0.0724(5) Uani d . 1 . .
Cl Cl6 0.25059(8) 0.29586(13) -0.04430(6) 0.0534(3) Uani d . 1 . .
Cl Cl1 0.33986(13) 0.41682(16) 0.08098(6) 0.0814(6) Uani d . 1 . .
Cl Cl2 0.40012(10) 0.63744(19) 0.10187(7) 0.0736(5) Uani d . 1 . .
Cl Cl3 0.15875(11) 0.5491(2) 0.03615(11) 0.0966(7) Uani d . 1 . .
Cl Cl4 0.04668(11) 0.39762(17) 0.05219(8) 0.0769(5) Uani d . 1 . .
P P2 0.33598(4) 1.01086(8) 0.31304(4) 0.01486(17) Uani d . 1 . .
P P1 0.18471(4) 1.01399(8) 0.27819(3) 0.01460(17) Uani d . 1 . .
O O2 0.03676(17) 0.6921(4) 0.54794(13) 0.0443(9) Uani d . 1 . .
O O1 0.24996(17) 0.6598(3) 0.51180(12) 0.0392(8) Uani d . 1 . .
O O5 0.11420(18) 0.3578(3) 0.49322(14) 0.0386(8) Uani d . 1 . .
N N4 0.37636(18) 0.9073(3) 0.41715(14) 0.0259(7) Uani d . 1 . .
N N3 0.45222(16) 0.8993(3) 0.26534(13) 0.0229(7) Uani d . 1 . .
N N1 0.04527(16) 0.9326(3) 0.25745(13) 0.0227(7) Uani d . 1 . .
C C26 0.38178(18) 1.0853(3) 0.36559(14) 0.0179(7) Uani d . 1 . .
C C31 0.40017(19) 1.2002(3) 0.36102(16) 0.0229(8) Uani d . 1 . .
H H31 0.3907 1.2395 0.3296 0.027 Uiso calc R 1 . .
C C30 0.4321(2) 1.2571(4) 0.40210(17) 0.0300(9) Uani d . 1 . .
H H30 0.4452 1.3348 0.3986 0.036 Uiso calc R 1 . .
C C29 0.4448(2) 1.2004(4) 0.44805(18) 0.0316(10) Uani d . 1 . .
H H29 0.4657 1.2399 0.4764 0.038 Uiso calc R 1 . .
C C28 0.4274(2) 1.0863(4) 0.45315(17) 0.0289(9) Uani d . 1 . .
H H28 0.4368 1.048 0.4848 0.035 Uiso calc R 1 . .
C C27 0.39620(19) 1.0276(3) 0.41183(16) 0.0222(8) Uani d . 1 . .
C C33 0.3184(3) 0.9002(5) 0.45117(18) 0.0424(13) Uani d . 1 . .
H H33A 0.2811 0.9467 0.4367 0.064 Uiso calc R 1 . .
H H33B 0.3322 0.9289 0.4854 0.064 Uiso calc R 1 . .
H H33C 0.3038 0.8204 0.4537 0.064 Uiso calc R 1 . .
C C32 0.4320(3) 0.8375(4) 0.4384(2) 0.0483(14) Uani d . 1 . .
H H32A 0.4171 0.758 0.4414 0.072 Uiso calc R 1 . .
H H32B 0.4466 0.8666 0.4724 0.072 Uiso calc R 1 . .
H H32C 0.4697 0.8412 0.4156 0.072 Uiso calc R 1 . .
C C18 0.37353(18) 1.0572(3) 0.25455(14) 0.0182(7) Uani d . 1 . .
C C23 0.3475(2) 1.1502(3) 0.22581(17) 0.0246(8) Uani d . 1 . .
H H23 0.3126 1.1953 0.2391 0.03 Uiso calc R 1 . .
C C22 0.3718(2) 1.1772(4) 0.17879(18) 0.0321(10) Uani d . 1 . .
H H22 0.3536 1.2403 0.1597 0.038 Uiso calc R 1 . .
C C21 0.4225(2) 1.1125(4) 0.15958(17) 0.0358(11) Uani d . 1 . .
H H21 0.4391 1.1307 0.127 0.043 Uiso calc R 1 . .
C C20 0.4497(2) 1.0204(4) 0.18754(17) 0.0306(9) Uani d . 1 . .
H H20 0.4847 0.9763 0.1739 0.037 Uiso calc R 1 . .
C C19 0.42592(19) 0.9927(3) 0.23532(15) 0.0200(7) Uani d . 1 . .
C C25 0.4717(2) 0.7991(4) 0.2360(2) 0.0346(10) Uani d . 1 . .
H H25A 0.489 0.7395 0.2596 0.052 Uiso calc R 1 . .
H H25B 0.5069 0.8206 0.2128 0.052 Uiso calc R 1 . .
H H25C 0.4325 0.7699 0.2159 0.052 Uiso calc R 1 . .
C C24 0.5057(2) 0.9310(4) 0.3025(2) 0.0375(11) Uani d . 1 . .
H H24A 0.5212 0.863 0.3217 0.056 Uiso calc R 1 . .
H H24B 0.4888 0.9877 0.3264 0.056 Uiso calc R 1 . .
H H24C 0.5434 0.9639 0.2846 0.056 Uiso calc R 1 . .
C C1 0.25434(17) 1.0851(3) 0.31536(15) 0.0181(7) Uani d . 1 . .
H H1A 0.2594 1.1639 0.302 0.022 Uiso calc R 1 . .
H H1B 0.2422 1.0911 0.3517 0.022 Uiso calc R 1 . .
N N2 0.20572(16) 0.8989(3) 0.17430(12) 0.0188(6) Uani d . 1 . .
C C11 0.19300(19) 1.0223(3) 0.17149(14) 0.0196(7) Uani d . 1 . .
C C10 0.18224(18) 1.0855(3) 0.21591(15) 0.0181(7) Uani d . 1 . .
C C15 0.17119(19) 1.2033(3) 0.21220(16) 0.0227(8) Uani d . 1 . .
H H15 0.1628 1.2461 0.2422 0.027 Uiso calc R 1 . .
C C14 0.1723(2) 1.2586(4) 0.16519(18) 0.0295(9) Uani d . 1 . .
H H14 0.1652 1.3389 0.163 0.035 Uiso calc R 1 . .
C C13 0.1837(2) 1.1962(4) 0.12154(18) 0.0325(10) Uani d . 1 . .
H H13 0.1848 1.2338 0.0893 0.039 Uiso calc R 1 . .
C C12 0.1935(2) 1.0792(4) 0.12448(16) 0.0281(9) Uani d . 1 . .
H H12 0.2007 1.0371 0.0941 0.034 Uiso calc R 1 . .
C C17 0.2724(2) 0.8724(4) 0.15436(15) 0.0242(8) Uani d . 1 . .
H H17A 0.2805 0.7897 0.1565 0.036 Uiso calc R 1 . .
H H17B 0.3076 0.9127 0.1749 0.036 Uiso calc R 1 . .
H H17C 0.2734 0.8971 0.1185 0.036 Uiso calc R 1 . .
C C16 0.1532(2) 0.8347(4) 0.14339(17) 0.0279(9) Uani d . 1 . .
H H16A 0.1626 0.7525 0.1457 0.042 Uiso calc R 1 . .
H H16B 0.1535 0.859 0.1074 0.042 Uiso calc R 1 . .
H H16C 0.1089 0.8504 0.1567 0.042 Uiso calc R 1 . .
C C2 0.11107(18) 1.0694(3) 0.30939(14) 0.0176(7) Uani d . 1 . .
C C7 0.1147(2) 1.1570(4) 0.34567(16) 0.0246(8) Uani d . 1 . .
H H7 0.1563 1.1951 0.3529 0.03 Uiso calc R 1 . .
C C6 0.0582(2) 1.1894(4) 0.37132(17) 0.0288(9) Uani d . 1 . .
H H6 0.0612 1.2491 0.3961 0.035 Uiso calc R 1 . .
C C5 -0.0022(2) 1.1350(4) 0.36080(17) 0.0298(9) Uani d . 1 . .
H H5 -0.0406 1.1559 0.3789 0.036 Uiso calc R 1 . .
C C4 -0.0073(2) 1.0496(4) 0.32385(17) 0.0273(9) Uani d . 1 . .
H H4 -0.0494 1.0132 0.3164 0.033 Uiso calc R 1 . .
C C3 0.04908(18) 1.0169(3) 0.29762(14) 0.0190(7) Uani d . 1 . .
C C8 0.0136(2) 0.8256(4) 0.2732(2) 0.0338(10) Uani d . 1 . .
H H8A 0.0123 0.7714 0.2445 0.051 Uiso calc R 1 . .
H H8B -0.0324 0.8413 0.2831 0.051 Uiso calc R 1 . .
H H8C 0.0397 0.7928 0.3025 0.051 Uiso calc R 1 . .
C C9 0.0108(2) 0.9798(4) 0.21087(17) 0.0333(10) Uani d . 1 . .
H H9A 0.0085 0.9213 0.1839 0.05 Uiso calc R 1 . .
H H9B 0.0358 1.0462 0.1991 0.05 Uiso calc R 1 . .
H H9C -0.0349 1.0032 0.2186 0.05 Uiso calc R 1 . .
C C35 0.0641(2) 0.6631(4) 0.51253(17) 0.0292(9) Uani d . 1 . .
C C37 0.1111(2) 0.7774(4) 0.42320(17) 0.0336(10) Uani d . 1 . .
O O4 0.1136(2) 0.8689(3) 0.40834(15) 0.0532(10) Uani d . 1 . .
C C34 0.2004(2) 0.6424(4) 0.48900(16) 0.0257(8) Uani d . 1 . .
C C38 0.1124(2) 0.4486(4) 0.47714(16) 0.0262(9) Uani d . 1 . .
C C36 0.0164(2) 0.5829(5) 0.41698(17) 0.0352(11) Uani d . 1 . .
O O3 -0.03704(18) 0.5672(4) 0.40178(15) 0.0582(12) Uani d . 1 . .
C C101 0.5633(3) 1.0480(5) 0.0060(2) 0.0522(14) Uani d . 1 . .
H H101 0.6069 1.0811 0.01 0.063 Uiso calc R 1 . .
C C100 0.5376(3) 1.0194(5) -0.0405(3) 0.0560(15) Uani d . 1 . .
H H100 0.5639 1.0328 -0.0694 0.067 Uiso calc R 1 . .
C C102 0.5254(3) 1.0288(5) 0.0487(3) 0.0538(15) Uani d . 1 . .
H H102 0.5423 1.0483 0.0823 0.065 Uiso calc R 1 . .
C C103 0.3326(4) 0.5472(8) 0.1119(3) 0.074(2) Uani d . 1 . .
H H10A 0.3297 0.5338 0.1492 0.089 Uiso calc R 1 . .
H H10B 0.2904 0.5851 0.0993 0.089 Uiso calc R 1 . .
C C104 0.1058(4) 0.4407(6) 0.0099(3) 0.0639(18) Uani d . 1 . .
H H10C 0.0825 0.4693 -0.022 0.077 Uiso calc R 1 . .
H H10D 0.1336 0.3741 0.0008 0.077 Uiso calc R 1 . .
C C105 0.2861(3) 0.1589(5) -0.0340(2) 0.0433(12) Uani d . 1 . .
H H10E 0.2525 0.0998 -0.0447 0.052 Uiso calc R 1 . .
H H10F 0.3255 0.15 -0.0554 0.052 Uiso calc R 1 . .
B B2 0.2591(2) 0.6974(4) 0.33801(16) 0.0180(8) Uani d . 1 . .
H H2 0.2537 0.7779 0.3607 0.022 Uiso calc R 1 . .
B B1 0.1981(2) 0.6553(3) 0.28529(16) 0.0169(8) Uani d . 1 . .
H H1 0.1536 0.7098 0.2735 0.02 Uiso calc R 1 . .
B B7 0.2799(2) 0.6999(3) 0.27106(16) 0.0168(8) Uani d . 1 . .
H H7A 0.2871 0.783 0.2507 0.02 Uiso calc R 1 . .
B B11 0.3299(2) 0.5807(4) 0.25834(17) 0.0198(8) Uani d . 1 . .
H H11 0.37 0.585 0.2297 0.024 Uiso calc R 1 . .
B B8 0.3398(2) 0.6501(3) 0.31907(16) 0.0165(8) Uani d . 1 . .
H H8 0.386 0.7008 0.3304 0.02 Uiso calc R 1 . .
B B3 0.2994(2) 0.5673(4) 0.36577(17) 0.0188(8) Uani d . 1 . .
H H3 0.3208 0.563 0.4063 0.023 Uiso calc R 1 . .
B B4 0.2615(2) 0.4421(4) 0.33167(18) 0.0211(8) Uani d . 1 . .
H H4A 0.2579 0.3559 0.3501 0.025 Uiso calc R 1 . .
B B5 0.1977(2) 0.4959(4) 0.28145(17) 0.0205(8) Uani d . 1 . .
H H5A 0.1526 0.4454 0.2673 0.025 Uiso calc R 1 . .
B B6 0.2426(2) 0.5797(4) 0.23847(17) 0.0205(8) Uani d . 1 . .
H H6A 0.2249 0.5828 0.197 0.025 Uiso calc R 1 . .
B B10 0.2808(2) 0.4556(4) 0.26609(18) 0.0228(9) Uani d . 1 . .
H H10 0.2886 0.3768 0.2427 0.027 Uiso calc R 1 . .
B B9 0.3410(2) 0.4985(4) 0.31577(18) 0.0212(8) Uani d . 1 . .
H H9 0.3881 0.4486 0.3249 0.025 Uiso calc R 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 B2 . 2.336(4) ?
Sn1 B4 . 2.346(4) ?
Sn1 B5 . 2.358(4) ?
Sn1 B3 . 2.360(4) ?
Sn1 B1 . 2.374(4) ?
Sn1 Mo1 . 2.7585(4) ?
Mo1 C35 . 1.979(4) ?
Mo1 C34 . 2.035(4) ?
Mo1 C38 . 2.038(4) ?
Mo1 C37 . 2.053(5) ?
Mo1 C36 . 2.054(5) ?
Cu2 N4 . 2.188(4) ?
Cu2 P2 . 2.1991(10) ?
Cu1 N2 . 2.191(3) ?
Cu1 P1 . 2.1934(10) ?
Cl5 C105 . 1.723(6) ?
Cl6 C105 . 1.764(6) ?
Cl1 C103 . 1.734(8) ?
Cl2 C103 . 1.736(8) ?
Cl3 C104 . 1.764(7) ?
Cl4 C104 . 1.727(7) ?
P2 C18 . 1.813(4) ?
P2 C26 . 1.827(4) ?
P2 C1 . 1.844(4) ?
P1 C10 . 1.824(4) ?
P1 C2 . 1.828(4) ?
P1 C1 . 1.847(4) ?
O2 C35 . 1.145(5) ?
O1 C34 . 1.143(5) ?
O5 C38 . 1.141(5) ?
N4 C32 . 1.461(6) ?
N4 C27 . 1.469(5) ?
N4 C33 . 1.491(6) ?
N3 C19 . 1.427(5) ?
N3 C24 . 1.451(6) ?
N3 C25 . 1.462(5) ?
N1 C3 . 1.437(5) ?
N1 C8 . 1.467(6) ?
N1 C9 . 1.471(6) ?
C26 C27 . 1.398(5) ?
C26 C31 . 1.398(5) ?
C31 C30 . 1.387(6) ?
C31 H31 . 0.95 ?
C30 C29 . 1.381(6) ?
C30 H30 . 0.95 ?
C29 C28 . 1.385(6) ?
C29 H29 . 0.95 ?
C28 C27 . 1.396(6) ?
C28 H28 . 0.95 ?
C33 H33A . 0.98 ?
C33 H33B . 0.98 ?
C33 H33C . 0.98 ?
C32 H32A . 0.98 ?
C32 H32B . 0.98 ?
C32 H32C . 0.98 ?
C18 C19 . 1.399(5) ?
C18 C23 . 1.404(5) ?
C23 C22 . 1.376(6) ?
C23 H23 . 0.95 ?
C22 C21 . 1.374(7) ?
C22 H22 . 0.95 ?
C21 C20 . 1.394(7) ?
C21 H21 . 0.95 ?
C20 C19 . 1.392(6) ?
C20 H20 . 0.95 ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C1 H1A . 0.99 ?
C1 H1B . 0.99 ?
N2 C11 . 1.465(5) ?
N2 C17 . 1.481(5) ?
N2 C16 . 1.489(5) ?
C11 C12 . 1.395(5) ?
C11 C10 . 1.398(5) ?
C10 C15 . 1.398(5) ?
C15 C14 . 1.386(6) ?
C15 H15 . 0.95 ?
C14 C13 . 1.379(7) ?
C14 H14 . 0.95 ?
C13 C12 . 1.382(6) ?
C13 H13 . 0.95 ?
C12 H12 . 0.95 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C2 C7 . 1.393(5) ?
C2 C3 . 1.397(5) ?
C7 C6 . 1.389(6) ?
C7 H7 . 0.95 ?
C6 C5 . 1.374(6) ?
C6 H6 . 0.95 ?
C5 C4 . 1.387(6) ?
C5 H5 . 0.95 ?
C4 C3 . 1.395(5) ?
C4 H4 . 0.95 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C37 O4 . 1.140(6) ?
C36 O3 . 1.131(6) ?
C101 C100 . 1.336(8) ?
C101 C102 . 1.393(9) ?
C101 H101 . 0.95 ?
C100 C102 3_675 1.380(9) ?
C100 H100 . 0.95 ?
C102 C100 3_675 1.380(9) ?
C102 H102 . 0.95 ?
C103 H10A . 0.99 ?
C103 H10B . 0.99 ?
C104 H10C . 0.99 ?
C104 H10D . 0.99 ?
C105 H10E . 0.99 ?
C105 H10F . 0.99 ?
B2 B8 . 1.788(6) ?
B2 B7 . 1.813(6) ?
B2 B3 . 1.849(6) ?
B2 B1 . 1.853(6) ?
B2 H2 . 1.12 ?
B1 B7 . 1.763(6) ?
B1 B6 . 1.777(6) ?
B1 B5 . 1.866(6) ?
B1 H1 . 1.12 ?
B7 B11 . 1.753(6) ?
B7 B8 . 1.781(6) ?
B7 B6 . 1.783(6) ?
B7 H7A . 1.12 ?
B11 B10 . 1.776(6) ?
B11 B8 . 1.780(6) ?
B11 B9 . 1.783(6) ?
B11 B6 . 1.787(6) ?
B11 H11 . 1.12 ?
B8 B9 . 1.774(6) ?
B8 B3 . 1.777(6) ?
B8 H8 . 1.12 ?
B3 B9 . 1.770(6) ?
B3 B4 . 1.852(6) ?
B3 H3 . 1.12 ?
B4 B10 . 1.777(6) ?
B4 B9 . 1.780(6) ?
B4 B5 . 1.884(7) ?
B4 H4A . 1.12 ?
B5 B6 . 1.764(6) ?
B5 B10 . 1.783(6) ?
B5 H5A . 1.12 ?
B6 B10 . 1.774(6) ?
B6 H6A . 1.12 ?
B10 B9 . 1.790(7) ?
B10 H10 . 1.12 ?
B9 H9 . 1.12 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
B2 Sn1 B4 . . 79.32(15) ?
B2 Sn1 B5 . . 79.63(15) ?
B4 Sn1 B5 . . 47.23(16) ?
B2 Sn1 B3 . . 46.38(14) ?
B4 Sn1 B3 . . 46.35(15) ?
B5 Sn1 B3 . . 79.88(15) ?
B2 Sn1 B1 . . 46.34(14) ?
B4 Sn1 B1 . . 79.46(15) ?
B5 Sn1 B1 . . 46.45(15) ?
B3 Sn1 B1 . . 79.13(14) ?
B2 Sn1 Mo1 . . 118.67(11) ?
B4 Sn1 Mo1 . . 144.08(11) ?
B5 Sn1 Mo1 . . 157.02(11) ?
B3 Sn1 Mo1 . . 122.51(11) ?
B1 Sn1 Mo1 . . 136.00(10) ?
C35 Mo1 C34 . . 89.19(17) ?
C35 Mo1 C38 . . 90.55(18) ?
C34 Mo1 C38 . . 89.56(17) ?
C35 Mo1 C37 . . 91.11(19) ?
C34 Mo1 C37 . . 89.46(18) ?
C38 Mo1 C37 . . 178.06(18) ?
C35 Mo1 C36 . . 87.24(17) ?
C34 Mo1 C36 . . 176.23(17) ?
C38 Mo1 C36 . . 89.25(19) ?
C37 Mo1 C36 . . 91.8(2) ?
C35 Mo1 Sn1 . . 174.23(14) ?
C34 Mo1 Sn1 . . 87.76(11) ?
C38 Mo1 Sn1 . . 94.32(11) ?
C37 Mo1 Sn1 . . 83.97(12) ?
C36 Mo1 Sn1 . . 95.90(12) ?
N4 Cu2 P2 . . 87.80(9) ?
N2 Cu1 P1 . . 88.91(9) ?
C18 P2 C26 . . 106.10(17) ?
C18 P2 C1 . . 106.67(17) ?
C26 P2 C1 . . 99.08(17) ?
C18 P2 Cu2 . . 124.98(13) ?
C26 P2 Cu2 . . 99.63(12) ?
C1 P2 Cu2 . . 116.22(13) ?
C10 P1 C2 . . 104.28(17) ?
C10 P1 C1 . . 104.28(17) ?
C2 P1 C1 . . 101.71(17) ?
C10 P1 Cu1 . . 99.64(12) ?
C2 P1 Cu1 . . 126.73(13) ?
C1 P1 Cu1 . . 117.41(12) ?
C32 N4 C27 . . 111.6(3) ?
C32 N4 C33 . . 109.7(4) ?
C27 N4 C33 . . 109.1(3) ?
C32 N4 Cu2 . . 109.3(3) ?
C27 N4 Cu2 . . 111.4(2) ?
C33 N4 Cu2 . . 105.5(3) ?
C19 N3 C24 . . 114.0(3) ?
C19 N3 C25 . . 115.2(3) ?
C24 N3 C25 . . 110.4(3) ?
C3 N1 C8 . . 112.9(3) ?
C3 N1 C9 . . 110.5(3) ?
C8 N1 C9 . . 111.2(3) ?
C27 C26 C31 . . 119.6(3) ?
C27 C26 P2 . . 119.3(3) ?
C31 C26 P2 . . 121.1(3) ?
C30 C31 C26 . . 120.4(4) ?
C30 C31 H31 . . 119.8 ?
C26 C31 H31 . . 119.8 ?
C29 C30 C31 . . 119.7(4) ?
C29 C30 H30 . . 120.2 ?
C31 C30 H30 . . 120.2 ?
C30 C29 C28 . . 120.6(4) ?
C30 C29 H29 . . 119.7 ?
C28 C29 H29 . . 119.7 ?
C29 C28 C27 . . 120.2(4) ?
C29 C28 H28 . . 119.9 ?
C27 C28 H28 . . 119.9 ?
C28 C27 C26 . . 119.5(4) ?
C28 C27 N4 . . 120.6(4) ?
C26 C27 N4 . . 119.9(3) ?
N4 C33 H33A . . 109.5 ?
N4 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
N4 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
N4 C32 H32A . . 109.5 ?
N4 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
N4 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
C19 C18 C23 . . 119.2(4) ?
C19 C18 P2 . . 119.0(3) ?
C23 C18 P2 . . 121.6(3) ?
C22 C23 C18 . . 121.1(4) ?
C22 C23 H23 . . 119.5 ?
C18 C23 H23 . . 119.5 ?
C21 C22 C23 . . 119.6(4) ?
C21 C22 H22 . . 120.2 ?
C23 C22 H22 . . 120.2 ?
C22 C21 C20 . . 120.5(4) ?
C22 C21 H21 . . 119.8 ?
C20 C21 H21 . . 119.8 ?
C19 C20 C21 . . 120.5(4) ?
C19 C20 H20 . . 119.8 ?
C21 C20 H20 . . 119.8 ?
C20 C19 C18 . . 119.1(4) ?
C20 C19 N3 . . 122.5(4) ?
C18 C19 N3 . . 118.4(3) ?
N3 C25 H25A . . 109.5 ?
N3 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
N3 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
N3 C24 H24A . . 109.5 ?
N3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
P2 C1 P1 . . 114.11(19) ?
P2 C1 H1A . . 108.7 ?
P1 C1 H1A . . 108.7 ?
P2 C1 H1B . . 108.7 ?
P1 C1 H1B . . 108.7 ?
H1A C1 H1B . . 107.6 ?
C11 N2 C17 . . 110.1(3) ?
C11 N2 C16 . . 110.7(3) ?
C17 N2 C16 . . 108.7(3) ?
C11 N2 Cu1 . . 110.8(2) ?
C17 N2 Cu1 . . 110.0(2) ?
C16 N2 Cu1 . . 106.4(2) ?
C12 C11 C10 . . 118.9(4) ?
C12 C11 N2 . . 120.3(4) ?
C10 C11 N2 . . 120.8(3) ?
C15 C10 C11 . . 119.6(4) ?
C15 C10 P1 . . 120.7(3) ?
C11 C10 P1 . . 119.7(3) ?
C14 C15 C10 . . 120.7(4) ?
C14 C15 H15 . . 119.6 ?
C10 C15 H15 . . 119.6 ?
C13 C14 C15 . . 119.5(4) ?
C13 C14 H14 . . 120.2 ?
C15 C14 H14 . . 120.2 ?
C14 C13 C12 . . 120.4(4) ?
C14 C13 H13 . . 119.8 ?
C12 C13 H13 . . 119.8 ?
C13 C12 C11 . . 120.9(4) ?
C13 C12 H12 . . 119.6 ?
C11 C12 H12 . . 119.6 ?
N2 C17 H17A . . 109.5 ?
N2 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
N2 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
N2 C16 H16A . . 109.5 ?
N2 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
N2 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C7 C2 C3 . . 119.2(3) ?
C7 C2 P1 . . 123.1(3) ?
C3 C2 P1 . . 117.6(3) ?
C6 C7 C2 . . 120.7(4) ?
C6 C7 H7 . . 119.6 ?
C2 C7 H7 . . 119.6 ?
C5 C6 C7 . . 119.9(4) ?
C5 C6 H6 . . 120.1 ?
C7 C6 H6 . . 120.1 ?
C6 C5 C4 . . 120.3(4) ?
C6 C5 H5 . . 119.8 ?
C4 C5 H5 . . 119.8 ?
C5 C4 C3 . . 120.3(4) ?
C5 C4 H4 . . 119.9 ?
C3 C4 H4 . . 119.9 ?
C4 C3 C2 . . 119.6(4) ?
C4 C3 N1 . . 122.0(3) ?
C2 C3 N1 . . 118.4(3) ?
N1 C8 H8A . . 109.5 ?
N1 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
N1 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
N1 C9 H9A . . 109.5 ?
N1 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
N1 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
O2 C35 Mo1 . . 179.3(4) ?
O4 C37 Mo1 . . 177.8(5) ?
O1 C34 Mo1 . . 177.8(4) ?
O5 C38 Mo1 . . 178.0(4) ?
O3 C36 Mo1 . . 175.0(4) ?
C100 C101 C102 . . 119.2(6) ?
C100 C101 H101 . . 120.4 ?
C102 C101 H101 . . 120.4 ?
C101 C100 C102 . 3_675 123.1(7) ?
C101 C100 H100 . . 118.5 ?
C102 C100 H100 3_675 . 118.5 ?
C100 C102 C101 3_675 . 117.7(6) ?
C100 C102 H102 3_675 . 121.1 ?
C101 C102 H102 . . 121.1 ?
Cl1 C103 Cl2 . . 112.4(4) ?
Cl1 C103 H10A . . 109.1 ?
Cl2 C103 H10A . . 109.1 ?
Cl1 C103 H10B . . 109.1 ?
Cl2 C103 H10B . . 109.1 ?
H10A C103 H10B . . 107.9 ?
Cl4 C104 Cl3 . . 111.9(4) ?
Cl4 C104 H10C . . 109.2 ?
Cl3 C104 H10C . . 109.2 ?
Cl4 C104 H10D . . 109.2 ?
Cl3 C104 H10D . . 109.2 ?
H10C C104 H10D . . 107.9 ?
Cl5 C105 Cl6 . . 111.2(3) ?
Cl5 C105 H10E . . 109.4 ?
Cl6 C105 H10E . . 109.4 ?
Cl5 C105 H10F . . 109.4 ?
Cl6 C105 H10F . . 109.4 ?
H10E C105 H10F . . 108.0 ?
B8 B2 B7 . . 59.3(2) ?
B8 B2 B3 . . 58.5(2) ?
B7 B2 B3 . . 105.9(3) ?
B8 B2 B1 . . 106.0(3) ?
B7 B2 B1 . . 57.5(2) ?
B3 B2 B1 . . 109.0(3) ?
B8 B2 Sn1 . . 119.9(2) ?
B7 B2 Sn1 . . 119.1(2) ?
B3 B2 Sn1 . . 67.48(18) ?
B1 B2 Sn1 . . 67.90(18) ?
B8 B2 H2 . . 121.1 ?
B7 B2 H2 . . 121.9 ?
B3 B2 H2 . . 122.4 ?
B1 B2 H2 . . 122.6 ?
Sn1 B2 H2 . . 108.5 ?
B7 B1 B6 . . 60.5(2) ?
B7 B1 B2 . . 60.1(2) ?
B6 B1 B2 . . 108.1(3) ?
B7 B1 B5 . . 106.6(3) ?
B6 B1 B5 . . 57.9(2) ?
B2 B1 B5 . . 107.8(3) ?
B7 B1 Sn1 . . 119.5(2) ?
B6 B1 Sn1 . . 118.5(2) ?
B2 B1 Sn1 . . 65.76(18) ?
B5 B1 Sn1 . . 66.32(19) ?
B7 B1 H1 . . 119.9 ?
B6 B1 H1 . . 120.5 ?
B2 B1 H1 . . 122.0 ?
B5 B1 H1 . . 123.4 ?
Sn1 B1 H1 . . 110.3 ?
B11 B7 B1 . . 110.1(3) ?
B11 B7 B8 . . 60.5(2) ?
B1 B7 B8 . . 110.3(3) ?
B11 B7 B6 . . 60.7(2) ?
B1 B7 B6 . . 60.1(2) ?
B8 B7 B6 . . 109.0(3) ?
B11 B7 B2 . . 109.1(3) ?
B1 B7 B2 . . 62.4(2) ?
B8 B7 B2 . . 59.7(2) ?
B6 B7 B2 . . 109.7(3) ?
B11 B7 H7A . . 120.8 ?
B1 B7 H7A . . 119.8 ?
B8 B7 H7A . . 121.2 ?
B6 B7 H7A . . 121.2 ?
B2 B7 H7A . . 120.7 ?
B7 B11 B10 . . 108.2(3) ?
B7 B11 B8 . . 60.5(2) ?
B10 B11 B8 . . 108.1(3) ?
B7 B11 B9 . . 108.5(3) ?
B10 B11 B9 . . 60.4(3) ?
B8 B11 B9 . . 59.7(2) ?
B7 B11 B6 . . 60.5(2) ?
B10 B11 B6 . . 59.7(2) ?
B8 B11 B6 . . 108.8(3) ?
B9 B11 B6 . . 108.5(3) ?
B7 B11 H11 . . 121.3 ?
B10 B11 H11 . . 121.8 ?
B8 B11 H11 . . 121.5 ?
B9 B11 H11 . . 121.5 ?
B6 B11 H11 . . 121.3 ?
B9 B8 B3 . . 59.8(2) ?
B9 B8 B11 . . 60.2(2) ?
B3 B8 B11 . . 109.1(3) ?
B9 B8 B7 . . 107.6(3) ?
B3 B8 B7 . . 110.5(3) ?
B11 B8 B7 . . 59.0(2) ?
B9 B8 B2 . . 109.7(3) ?
B3 B8 B2 . . 62.5(2) ?
B11 B8 B2 . . 109.0(3) ?
B7 B8 B2 . . 61.1(2) ?
B9 B8 H8 . . 121.9 ?
B3 B8 H8 . . 120.0 ?
B11 B8 H8 . . 121.8 ?
B7 B8 H8 . . 121.5 ?
B2 B8 H8 . . 119.9 ?
B9 B3 B8 . . 60.0(2) ?
B9 B3 B2 . . 107.1(3) ?
B8 B3 B2 . . 59.0(2) ?
B9 B3 B4 . . 58.8(2) ?
B8 B3 B4 . . 106.8(3) ?
B2 B3 B4 . . 107.7(3) ?
B9 B3 Sn1 . . 119.3(3) ?
B8 B3 Sn1 . . 119.2(2) ?
B2 B3 Sn1 . . 66.14(18) ?
B4 B3 Sn1 . . 66.45(19) ?
B9 B3 H3 . . 120.4 ?
B8 B3 H3 . . 120.5 ?
B2 B3 H3 . . 122.8 ?
B4 B3 H3 . . 122.9 ?
Sn1 B3 H3 . . 109.8 ?
B10 B4 B9 . . 60.4(3) ?
B10 B4 B3 . . 106.8(3) ?
B9 B4 B3 . . 58.3(2) ?
B10 B4 B5 . . 58.2(2) ?
B9 B4 B5 . . 106.8(3) ?
B3 B4 B5 . . 108.3(3) ?
B10 B4 Sn1 . . 119.1(3) ?
B9 B4 Sn1 . . 119.5(3) ?
B3 B4 Sn1 . . 67.21(19) ?
B5 B4 Sn1 . . 66.70(19) ?
B10 B4 H4A . . 120.8 ?
B9 B4 H4A . . 120.6 ?
B3 B4 H4A . . 122.6 ?
B5 B4 H4A . . 122.8 ?
Sn1 B4 H4A . . 109.3 ?
B6 B5 B10 . . 60.0(2) ?
B6 B5 B1 . . 58.5(2) ?
B10 B5 B1 . . 105.9(3) ?
B6 B5 B4 . . 106.3(3) ?
B10 B5 B4 . . 57.9(2) ?
B1 B5 B4 . . 107.1(3) ?
B6 B5 Sn1 . . 119.9(3) ?
B10 B5 Sn1 . . 118.3(3) ?
B1 B5 Sn1 . . 67.22(19) ?
B4 B5 Sn1 . . 66.07(19) ?
B6 B5 H5A . . 120.3 ?
B10 B5 H5A . . 121.5 ?
B1 B5 H5A . . 123.0 ?
B4 B5 H5A . . 123.6 ?
Sn1 B5 H5A . . 109.5 ?
B5 B6 B10 . . 60.5(2) ?
B5 B6 B1 . . 63.6(2) ?
B10 B6 B1 . . 110.2(3) ?
B5 B6 B7 . . 110.3(3) ?
B10 B6 B7 . . 107.0(3) ?
B1 B6 B7 . . 59.4(2) ?
B5 B6 B11 . . 109.6(3) ?
B10 B6 B11 . . 59.8(2) ?
B1 B6 B11 . . 107.9(3) ?
B7 B6 B11 . . 58.8(2) ?
B5 B6 H6A . . 119.1 ?
B10 B6 H6A . . 121.7 ?
B1 B6 H6A . . 120.2 ?
B7 B6 H6A . . 122.5 ?
B11 B6 H6A . . 122.2 ?
B6 B10 B11 . . 60.5(2) ?
B6 B10 B4 . . 110.7(3) ?
B11 B10 B4 . . 109.2(3) ?
B6 B10 B5 . . 59.5(2) ?
B11 B10 B5 . . 109.2(3) ?
B4 B10 B5 . . 63.9(3) ?
B6 B10 B9 . . 108.7(3) ?
B11 B10 B9 . . 60.0(3) ?
B4 B10 B9 . . 59.9(3) ?
B5 B10 B9 . . 110.9(3) ?
B6 B10 H10 . . 121.3 ?
B11 B10 H10 . . 121.6 ?
B4 B10 H10 . . 119.6 ?
B5 B10 H10 . . 119.6 ?
B9 B10 H10 . . 121.3 ?
B3 B9 B8 . . 60.2(2) ?
B3 B9 B4 . . 62.9(2) ?
B8 B9 B4 . . 110.1(3) ?
B3 B9 B11 . . 109.3(3) ?
B8 B9 B11 . . 60.1(2) ?
B4 B9 B11 . . 108.8(3) ?
B3 B9 B10 . . 109.9(3) ?
B8 B9 B10 . . 107.8(3) ?
B4 B9 B10 . . 59.7(3) ?
B11 B9 B10 . . 59.6(3) ?
B3 B9 H9 . . 119.8 ?
B8 B9 H9 . . 121.5 ?
B4 B9 H9 . . 120.1 ?
B11 B9 H9 . . 121.7 ?
B10 B9 H9 . . 122.0 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
B2 Sn1 Mo1 C35 . . . . 5.6(13) ?
B4 Sn1 Mo1 C35 . . . . 118.8(13) ?
B5 Sn1 Mo1 C35 . . . . -134.3(13) ?
B3 Sn1 Mo1 C35 . . . . 59.8(13) ?
B1 Sn1 Mo1 C35 . . . . -49.9(13) ?
B2 Sn1 Mo1 C34 . . . . -52.61(17) ?
B4 Sn1 Mo1 C34 . . . . 60.6(2) ?
B5 Sn1 Mo1 C34 . . . . 167.5(3) ?
B3 Sn1 Mo1 C34 . . . . 1.67(17) ?
B1 Sn1 Mo1 C34 . . . . -108.11(19) ?
B2 Sn1 Mo1 C38 . . . . -142.01(16) ?
B4 Sn1 Mo1 C38 . . . . -28.8(2) ?
B5 Sn1 Mo1 C38 . . . . 78.1(3) ?
B3 Sn1 Mo1 C38 . . . . -87.73(17) ?
B1 Sn1 Mo1 C38 . . . . 162.50(18) ?
B2 Sn1 Mo1 C37 . . . . 37.08(18) ?
B4 Sn1 Mo1 C37 . . . . 150.3(2) ?
B5 Sn1 Mo1 C37 . . . . -102.8(3) ?
B3 Sn1 Mo1 C37 . . . . 91.36(18) ?
B1 Sn1 Mo1 C37 . . . . -18.4(2) ?
B2 Sn1 Mo1 C36 . . . . 128.30(19) ?
B4 Sn1 Mo1 C36 . . . . -118.4(2) ?
B5 Sn1 Mo1 C36 . . . . -11.6(3) ?
B3 Sn1 Mo1 C36 . . . . -177.42(19) ?
B1 Sn1 Mo1 C36 . . . . 72.8(2) ?
N4 Cu2 P2 C18 . . . . 128.76(18) ?
N4 Cu2 P2 C26 . . . . 11.24(16) ?
N4 Cu2 P2 C1 . . . . -93.95(17) ?
N2 Cu1 P1 C10 . . . . 2.76(14) ?
N2 Cu1 P1 C2 . . . . 118.80(17) ?
N2 Cu1 P1 C1 . . . . -108.95(16) ?
P2 Cu2 N4 C32 . . . . -136.2(3) ?
P2 Cu2 N4 C27 . . . . -12.5(3) ?
P2 Cu2 N4 C33 . . . . 105.8(3) ?
C18 P2 C26 C27 . . . . -141.7(3) ?
C1 P2 C26 C27 . . . . 107.9(3) ?
Cu2 P2 C26 C27 . . . . -10.9(3) ?
C18 P2 C26 C31 . . . . 40.9(4) ?
C1 P2 C26 C31 . . . . -69.5(3) ?
Cu2 P2 C26 C31 . . . . 171.8(3) ?
C27 C26 C31 C30 . . . . -0.4(6) ?
P2 C26 C31 C30 . . . . 176.9(3) ?
C26 C31 C30 C29 . . . . -1.1(7) ?
C31 C30 C29 C28 . . . . 1.5(7) ?
C30 C29 C28 C27 . . . . -0.5(7) ?
C29 C28 C27 C26 . . . . -0.9(7) ?
C29 C28 C27 N4 . . . . -178.8(4) ?
C31 C26 C27 C28 . . . . 1.4(6) ?
P2 C26 C27 C28 . . . . -176.0(3) ?
C31 C26 C27 N4 . . . . 179.3(4) ?
P2 C26 C27 N4 . . . . 1.9(5) ?
C32 N4 C27 C28 . . . . -50.9(6) ?
C33 N4 C27 C28 . . . . 70.5(5) ?
Cu2 N4 C27 C28 . . . . -173.4(3) ?
C32 N4 C27 C26 . . . . 131.2(4) ?
C33 N4 C27 C26 . . . . -107.4(4) ?
Cu2 N4 C27 C26 . . . . 8.8(5) ?
C26 P2 C18 C19 . . . . 92.6(3) ?
C1 P2 C18 C19 . . . . -162.4(3) ?
Cu2 P2 C18 C19 . . . . -21.9(4) ?
C26 P2 C18 C23 . . . . -93.0(3) ?
C1 P2 C18 C23 . . . . 12.0(4) ?
Cu2 P2 C18 C23 . . . . 152.5(3) ?
C19 C18 C23 C22 . . . . 1.3(6) ?
P2 C18 C23 C22 . . . . -173.1(3) ?
C18 C23 C22 C21 . . . . -0.2(6) ?
C23 C22 C21 C20 . . . . -0.5(7) ?
C22 C21 C20 C19 . . . . 0.0(7) ?
C21 C20 C19 C18 . . . . 1.1(6) ?
C21 C20 C19 N3 . . . . -180.0(4) ?
C23 C18 C19 C20 . . . . -1.7(6) ?
P2 C18 C19 C20 . . . . 172.8(3) ?
C23 C18 C19 N3 . . . . 179.3(3) ?
P2 C18 C19 N3 . . . . -6.2(5) ?
C24 N3 C19 C20 . . . . 93.6(5) ?
C25 N3 C19 C20 . . . . -35.6(5) ?
C24 N3 C19 C18 . . . . -87.4(4) ?
C25 N3 C19 C18 . . . . 143.4(4) ?
C18 P2 C1 P1 . . . . 83.8(2) ?
C26 P2 C1 P1 . . . . -166.3(2) ?
Cu2 P2 C1 P1 . . . . -60.7(2) ?
C10 P1 C1 P2 . . . . -94.6(2) ?
C2 P1 C1 P2 . . . . 157.2(2) ?
Cu1 P1 C1 P2 . . . . 14.5(3) ?
P1 Cu1 N2 C11 . . . . -3.0(2) ?
P1 Cu1 N2 C17 . . . . 119.0(2) ?
P1 Cu1 N2 C16 . . . . -123.4(2) ?
C17 N2 C11 C12 . . . . 58.2(5) ?
C16 N2 C11 C12 . . . . -62.1(5) ?
Cu1 N2 C11 C12 . . . . -179.9(3) ?
C17 N2 C11 C10 . . . . -119.9(4) ?
C16 N2 C11 C10 . . . . 119.9(4) ?
Cu1 N2 C11 C10 . . . . 2.1(4) ?
C12 C11 C10 C15 . . . . 1.0(6) ?
N2 C11 C10 C15 . . . . 179.1(3) ?
C12 C11 C10 P1 . . . . -177.5(3) ?
N2 C11 C10 P1 . . . . 0.5(5) ?
C2 P1 C10 C15 . . . . 46.7(3) ?
C1 P1 C10 C15 . . . . -59.6(3) ?
Cu1 P1 C10 C15 . . . . 178.8(3) ?
C2 P1 C10 C11 . . . . -134.7(3) ?
C1 P1 C10 C11 . . . . 119.0(3) ?
Cu1 P1 C10 C11 . . . . -2.7(3) ?
C11 C10 C15 C14 . . . . -1.5(6) ?
P1 C10 C15 C14 . . . . 177.1(3) ?
C10 C15 C14 C13 . . . . 0.7(6) ?
C15 C14 C13 C12 . . . . 0.4(7) ?
C14 C13 C12 C11 . . . . -0.8(7) ?
C10 C11 C12 C13 . . . . 0.1(6) ?
N2 C11 C12 C13 . . . . -178.0(4) ?
C10 P1 C2 C7 . . . . -99.3(4) ?
C1 P1 C2 C7 . . . . 9.0(4) ?
Cu1 P1 C2 C7 . . . . 146.8(3) ?
C10 P1 C2 C3 . . . . 83.8(3) ?
C1 P1 C2 C3 . . . . -168.0(3) ?
Cu1 P1 C2 C3 . . . . -30.1(4) ?
C3 C2 C7 C6 . . . . 2.3(6) ?
P1 C2 C7 C6 . . . . -174.6(3) ?
C2 C7 C6 C5 . . . . -0.2(7) ?
C7 C6 C5 C4 . . . . -1.4(7) ?
C6 C5 C4 C3 . . . . 1.0(7) ?
C5 C4 C3 C2 . . . . 1.1(6) ?
C5 C4 C3 N1 . . . . -177.1(4) ?
C7 C2 C3 C4 . . . . -2.7(6) ?
P1 C2 C3 C4 . . . . 174.4(3) ?
C7 C2 C3 N1 . . . . 175.5(4) ?
P1 C2 C3 N1 . . . . -7.4(5) ?
C8 N1 C3 C4 . . . . -52.4(5) ?
C9 N1 C3 C4 . . . . 72.7(5) ?
C8 N1 C3 C2 . . . . 129.4(4) ?
C9 N1 C3 C2 . . . . -105.5(4) ?
C34 Mo1 C35 O2 . . . . 180.(100) ?
C38 Mo1 C35 O2 . . . . -90.(40) ?
C37 Mo1 C35 O2 . . . . 90.(40) ?
C36 Mo1 C35 O2 . . . . 0.(40) ?
Sn1 Mo1 C35 O2 . . . . 120.(40) ?
C35 Mo1 C37 O4 . . . . 102.(11) ?
C34 Mo1 C37 O4 . . . . 13.(11) ?
C38 Mo1 C37 O4 . . . . -47.(14) ?
C36 Mo1 C37 O4 . . . . -170.(100) ?
Sn1 Mo1 C37 O4 . . . . -75.(11) ?
C35 Mo1 C34 O1 . . . . 4.(10) ?
C38 Mo1 C34 O1 . . . . -86.(10) ?
C37 Mo1 C34 O1 . . . . 95.(10) ?
C36 Mo1 C34 O1 . . . . -15.(12) ?
Sn1 Mo1 C34 O1 . . . . 180.(100) ?
C35 Mo1 C38 O5 . . . . -45.(11) ?
C34 Mo1 C38 O5 . . . . 44.(11) ?
C37 Mo1 C38 O5 . . . . 104.(12) ?
C36 Mo1 C38 O5 . . . . -132.(11) ?
Sn1 Mo1 C38 O5 . . . . 132.(11) ?
C35 Mo1 C36 O3 . . . . -13.(6) ?
C34 Mo1 C36 O3 . . . . 6.(8) ?
C38 Mo1 C36 O3 . . . . 78.(6) ?
C37 Mo1 C36 O3 . . . . -104.(6) ?
Sn1 Mo1 C36 O3 . . . . 172.(6) ?
C102 C101 C100 C102 . . . 3_675 0.0(10) ?
C100 C101 C102 C100 . . . 3_675 0.0(10) ?
B4 Sn1 B2 B8 . . . . -10.7(3) ?
B5 Sn1 B2 B8 . . . . -58.8(3) ?
B3 Sn1 B2 B8 . . . . 27.0(3) ?
B1 Sn1 B2 B8 . . . . -96.3(3) ?
Mo1 Sn1 B2 B8 . . . . 136.0(2) ?
B4 Sn1 B2 B7 . . . . 58.5(3) ?
B5 Sn1 B2 B7 . . . . 10.4(3) ?
B3 Sn1 B2 B7 . . . . 96.3(3) ?
B1 Sn1 B2 B7 . . . . -27.1(2) ?
Mo1 Sn1 B2 B7 . . . . -154.8(2) ?
B4 Sn1 B2 B3 . . . . -37.8(2) ?
B5 Sn1 B2 B3 . . . . -85.9(2) ?
B1 Sn1 B2 B3 . . . . -123.3(3) ?
Mo1 Sn1 B2 B3 . . . . 108.97(18) ?
B4 Sn1 B2 B1 . . . . 85.6(2) ?
B5 Sn1 B2 B1 . . . . 37.5(2) ?
B3 Sn1 B2 B1 . . . . 123.3(3) ?
Mo1 Sn1 B2 B1 . . . . -127.69(16) ?
B8 B2 B1 B7 . . . . -35.6(3) ?
B3 B2 B1 B7 . . . . -97.2(3) ?
Sn1 B2 B1 B7 . . . . -151.9(2) ?
B8 B2 B1 B6 . . . . 2.5(4) ?
B7 B2 B1 B6 . . . . 38.1(3) ?
B3 B2 B1 B6 . . . . -59.0(4) ?
Sn1 B2 B1 B6 . . . . -113.8(3) ?
B8 B2 B1 B5 . . . . 63.7(3) ?
B7 B2 B1 B5 . . . . 99.3(3) ?
B3 B2 B1 B5 . . . . 2.1(4) ?
Sn1 B2 B1 B5 . . . . -52.6(2) ?
B8 B2 B1 Sn1 . . . . 116.3(2) ?
B7 B2 B1 Sn1 . . . . 151.9(2) ?
B3 B2 B1 Sn1 . . . . 54.7(2) ?
B2 Sn1 B1 B7 . . . . 28.0(2) ?
B4 Sn1 B1 B7 . . . . -57.2(3) ?
B5 Sn1 B1 B7 . . . . -96.3(3) ?
B3 Sn1 B1 B7 . . . . -10.0(3) ?
Mo1 Sn1 B1 B7 . . . . 116.1(2) ?
B2 Sn1 B1 B6 . . . . 98.3(3) ?
B4 Sn1 B1 B6 . . . . 13.1(3) ?
B5 Sn1 B1 B6 . . . . -26.0(3) ?
B3 Sn1 B1 B6 . . . . 60.3(3) ?
Mo1 Sn1 B1 B6 . . . . -173.64(19) ?
B4 Sn1 B1 B2 . . . . -85.2(2) ?
B5 Sn1 B1 B2 . . . . -124.3(3) ?
B3 Sn1 B1 B2 . . . . -38.0(2) ?
Mo1 Sn1 B1 B2 . . . . 88.1(2) ?
B2 Sn1 B1 B5 . . . . 124.3(3) ?
B4 Sn1 B1 B5 . . . . 39.1(2) ?
B3 Sn1 B1 B5 . . . . 86.3(2) ?
Mo1 Sn1 B1 B5 . . . . -147.59(16) ?
B6 B1 B7 B11 . . . . -35.9(3) ?
B2 B1 B7 B11 . . . . 101.7(3) ?
B5 B1 B7 B11 . . . . 0.3(4) ?
Sn1 B1 B7 B11 . . . . 72.1(3) ?
B6 B1 B7 B8 . . . . -100.8(3) ?
B2 B1 B7 B8 . . . . 36.8(3) ?
B5 B1 B7 B8 . . . . -64.6(4) ?
Sn1 B1 B7 B8 . . . . 7.2(4) ?
B2 B1 B7 B6 . . . . 137.6(3) ?
B5 B1 B7 B6 . . . . 36.2(3) ?
Sn1 B1 B7 B6 . . . . 108.0(3) ?
B6 B1 B7 B2 . . . . -137.6(3) ?
B5 B1 B7 B2 . . . . -101.4(3) ?
Sn1 B1 B7 B2 . . . . -29.6(2) ?
B8 B2 B7 B11 . . . . 36.2(3) ?
B3 B2 B7 B11 . . . . -0.5(4) ?
B1 B2 B7 B11 . . . . -103.2(3) ?
Sn1 B2 B7 B11 . . . . -73.2(3) ?
B8 B2 B7 B1 . . . . 139.4(3) ?
B3 B2 B7 B1 . . . . 102.7(3) ?
Sn1 B2 B7 B1 . . . . 30.0(2) ?
B3 B2 B7 B8 . . . . -36.7(3) ?
B1 B2 B7 B8 . . . . -139.4(3) ?
Sn1 B2 B7 B8 . . . . -109.4(3) ?
B8 B2 B7 B6 . . . . 101.0(3) ?
B3 B2 B7 B6 . . . . 64.3(3) ?
B1 B2 B7 B6 . . . . -38.4(3) ?
Sn1 B2 B7 B6 . . . . -8.4(4) ?
B1 B7 B11 B10 . . . . -1.6(4) ?
B8 B7 B11 B10 . . . . 101.0(3) ?
B6 B7 B11 B10 . . . . -37.2(3) ?
B2 B7 B11 B10 . . . . 65.1(4) ?
B1 B7 B11 B8 . . . . -102.6(3) ?
B6 B7 B11 B8 . . . . -138.2(3) ?
B2 B7 B11 B8 . . . . -35.8(3) ?
B1 B7 B11 B9 . . . . -65.6(4) ?
B8 B7 B11 B9 . . . . 37.0(3) ?
B6 B7 B11 B9 . . . . -101.2(3) ?
B2 B7 B11 B9 . . . . 1.1(4) ?
B1 B7 B11 B6 . . . . 35.7(3) ?
B8 B7 B11 B6 . . . . 138.2(3) ?
B2 B7 B11 B6 . . . . 102.4(3) ?
B7 B11 B8 B9 . . . . 138.7(3) ?
B10 B11 B8 B9 . . . . 37.6(3) ?
B6 B11 B8 B9 . . . . 100.9(3) ?
B7 B11 B8 B3 . . . . 103.0(3) ?
B10 B11 B8 B3 . . . . 1.9(4) ?
B9 B11 B8 B3 . . . . -35.7(3) ?
B6 B11 B8 B3 . . . . 65.2(4) ?
B10 B11 B8 B7 . . . . -101.1(3) ?
B9 B11 B8 B7 . . . . -138.7(3) ?
B6 B11 B8 B7 . . . . -37.8(3) ?
B7 B11 B8 B2 . . . . 36.4(3) ?
B10 B11 B8 B2 . . . . -64.7(4) ?
B9 B11 B8 B2 . . . . -102.3(3) ?
B6 B11 B8 B2 . . . . -1.4(4) ?
B11 B7 B8 B9 . . . . -37.0(3) ?
B1 B7 B8 B9 . . . . 65.2(4) ?
B6 B7 B8 B9 . . . . 1.0(4) ?
B2 B7 B8 B9 . . . . 103.2(3) ?
B11 B7 B8 B3 . . . . -100.5(3) ?
B1 B7 B8 B3 . . . . 1.7(4) ?
B6 B7 B8 B3 . . . . -62.6(4) ?
B2 B7 B8 B3 . . . . 39.6(3) ?
B1 B7 B8 B11 . . . . 102.2(3) ?
B6 B7 B8 B11 . . . . 37.9(3) ?
B2 B7 B8 B11 . . . . 140.1(3) ?
B11 B7 B8 B2 . . . . -140.1(3) ?
B1 B7 B8 B2 . . . . -38.0(3) ?
B6 B7 B8 B2 . . . . -102.2(3) ?
B7 B2 B8 B9 . . . . -99.7(3) ?
B3 B2 B8 B9 . . . . 37.9(3) ?
B1 B2 B8 B9 . . . . -64.9(4) ?
Sn1 B2 B8 B9 . . . . 8.5(4) ?
B7 B2 B8 B3 . . . . -137.7(3) ?
B1 B2 B8 B3 . . . . -102.8(3) ?
Sn1 B2 B8 B3 . . . . -29.5(3) ?
B7 B2 B8 B11 . . . . -35.5(3) ?
B3 B2 B8 B11 . . . . 102.1(3) ?
B1 B2 B8 B11 . . . . -0.7(4) ?
Sn1 B2 B8 B11 . . . . 72.7(3) ?
B3 B2 B8 B7 . . . . 137.7(3) ?
B1 B2 B8 B7 . . . . 34.8(3) ?
Sn1 B2 B8 B7 . . . . 108.2(3) ?
B11 B8 B3 B9 . . . . 35.9(3) ?
B7 B8 B3 B9 . . . . 98.9(3) ?
B2 B8 B3 B9 . . . . 137.9(3) ?
B9 B8 B3 B2 . . . . -137.9(3) ?
B11 B8 B3 B2 . . . . -102.1(3) ?
B7 B8 B3 B2 . . . . -39.0(3) ?
B9 B8 B3 B4 . . . . -37.0(3) ?
B11 B8 B3 B4 . . . . -1.2(4) ?
B7 B8 B3 B4 . . . . 61.9(4) ?
B2 B8 B3 B4 . . . . 100.9(3) ?
B9 B8 B3 Sn1 . . . . -109.0(3) ?
B11 B8 B3 Sn1 . . . . -73.1(3) ?
B7 B8 B3 Sn1 . . . . -10.0(4) ?
B2 B8 B3 Sn1 . . . . 28.9(3) ?
B8 B2 B3 B9 . . . . -37.4(3) ?
B7 B2 B3 B9 . . . . -0.4(4) ?
B1 B2 B3 B9 . . . . 60.1(4) ?
Sn1 B2 B3 B9 . . . . 115.1(3) ?
B7 B2 B3 B8 . . . . 37.0(3) ?
B1 B2 B3 B8 . . . . 97.5(3) ?
Sn1 B2 B3 B8 . . . . 152.5(2) ?
B8 B2 B3 B4 . . . . -99.3(3) ?
B7 B2 B3 B4 . . . . -62.3(3) ?
B1 B2 B3 B4 . . . . -1.8(4) ?
Sn1 B2 B3 B4 . . . . 53.2(2) ?
B8 B2 B3 Sn1 . . . . -152.5(2) ?
B7 B2 B3 Sn1 . . . . -115.5(2) ?
B1 B2 B3 Sn1 . . . . -55.0(2) ?
B2 Sn1 B3 B9 . . . . -96.9(3) ?
B4 Sn1 B3 B9 . . . . 26.8(3) ?
B5 Sn1 B3 B9 . . . . -11.7(3) ?
B1 Sn1 B3 B9 . . . . -59.0(3) ?
Mo1 Sn1 B3 B9 . . . . 162.8(2) ?
B2 Sn1 B3 B8 . . . . -27.0(3) ?
B4 Sn1 B3 B8 . . . . 96.7(3) ?
B5 Sn1 B3 B8 . . . . 58.3(3) ?
B1 Sn1 B3 B8 . . . . 11.0(3) ?
Mo1 Sn1 B3 B8 . . . . -127.3(2) ?
B4 Sn1 B3 B2 . . . . 123.7(3) ?
B5 Sn1 B3 B2 . . . . 85.3(2) ?
B1 Sn1 B3 B2 . . . . 38.0(2) ?
Mo1 Sn1 B3 B2 . . . . -100.29(18) ?
B2 Sn1 B3 B4 . . . . -123.7(3) ?
B5 Sn1 B3 B4 . . . . -38.5(2) ?
B1 Sn1 B3 B4 . . . . -85.7(2) ?
Mo1 Sn1 B3 B4 . . . . 135.99(17) ?
B9 B3 B4 B10 . . . . -37.6(3) ?
B8 B3 B4 B10 . . . . 0.0(4) ?
B2 B3 B4 B10 . . . . 62.1(4) ?
Sn1 B3 B4 B10 . . . . 115.1(3) ?
B8 B3 B4 B9 . . . . 37.6(3) ?
B2 B3 B4 B9 . . . . 99.7(3) ?
Sn1 B3 B4 B9 . . . . 152.7(3) ?
B9 B3 B4 B5 . . . . -98.9(3) ?
B8 B3 B4 B5 . . . . -61.3(3) ?
B2 B3 B4 B5 . . . . 0.8(4) ?
Sn1 B3 B4 B5 . . . . 53.8(2) ?
B9 B3 B4 Sn1 . . . . -152.7(3) ?
B8 B3 B4 Sn1 . . . . -115.1(3) ?
B2 B3 B4 Sn1 . . . . -53.0(2) ?
B2 Sn1 B4 B10 . . . . -59.4(3) ?
B5 Sn1 B4 B10 . . . . 26.3(3) ?
B3 Sn1 B4 B10 . . . . -97.2(3) ?
B1 Sn1 B4 B10 . . . . -12.2(3) ?
Mo1 Sn1 B4 B10 . . . . 175.72(18) ?
B2 Sn1 B4 B9 . . . . 11.1(3) ?
B5 Sn1 B4 B9 . . . . 96.8(3) ?
B3 Sn1 B4 B9 . . . . -26.7(3) ?
B1 Sn1 B4 B9 . . . . 58.3(3) ?
Mo1 Sn1 B4 B9 . . . . -113.8(3) ?
B2 Sn1 B4 B3 . . . . 37.79(19) ?
B5 Sn1 B4 B3 . . . . 123.5(3) ?
B1 Sn1 B4 B3 . . . . 85.0(2) ?
Mo1 Sn1 B4 B3 . . . . -87.1(2) ?
B2 Sn1 B4 B5 . . . . -85.7(2) ?
B3 Sn1 B4 B5 . . . . -123.5(3) ?
B1 Sn1 B4 B5 . . . . -38.51(19) ?
Mo1 Sn1 B4 B5 . . . . 149.42(17) ?
B7 B1 B5 B6 . . . . -37.4(3) ?
B2 B1 B5 B6 . . . . -100.6(3) ?
Sn1 B1 B5 B6 . . . . -152.9(3) ?
B7 B1 B5 B10 . . . . 1.0(4) ?
B6 B1 B5 B10 . . . . 38.4(3) ?
B2 B1 B5 B10 . . . . -62.2(4) ?
Sn1 B1 B5 B10 . . . . -114.5(3) ?
B7 B1 B5 B4 . . . . 61.6(3) ?
B6 B1 B5 B4 . . . . 99.0(3) ?
B2 B1 B5 B4 . . . . -1.6(4) ?
Sn1 B1 B5 B4 . . . . -53.9(2) ?
B7 B1 B5 Sn1 . . . . 115.5(3) ?
B6 B1 B5 Sn1 . . . . 152.9(3) ?
B2 B1 B5 Sn1 . . . . 52.3(2) ?
B10 B4 B5 B6 . . . . -36.9(3) ?
B9 B4 B5 B6 . . . . 0.4(4) ?
B3 B4 B5 B6 . . . . 61.9(3) ?
Sn1 B4 B5 B6 . . . . 116.0(3) ?
B9 B4 B5 B10 . . . . 37.4(3) ?
B3 B4 B5 B10 . . . . 98.8(3) ?
Sn1 B4 B5 B10 . . . . 152.9(3) ?
B10 B4 B5 B1 . . . . -98.3(3) ?
B9 B4 B5 B1 . . . . -60.9(4) ?
B3 B4 B5 B1 . . . . 0.5(4) ?
Sn1 B4 B5 B1 . . . . 54.6(2) ?
B10 B4 B5 Sn1 . . . . -152.9(3) ?
B9 B4 B5 Sn1 . . . . -115.5(3) ?
B3 B4 B5 Sn1 . . . . -54.1(2) ?
B2 Sn1 B5 B6 . . . . -10.8(3) ?
B4 Sn1 B5 B6 . . . . -95.7(3) ?
B3 Sn1 B5 B6 . . . . -57.9(3) ?
B1 Sn1 B5 B6 . . . . 26.6(3) ?
Mo1 Sn1 B5 B6 . . . . 134.1(3) ?
B2 Sn1 B5 B10 . . . . 59.0(3) ?
B4 Sn1 B5 B10 . . . . -26.0(3) ?
B3 Sn1 B5 B10 . . . . 11.8(3) ?
B1 Sn1 B5 B10 . . . . 96.4(3) ?
Mo1 Sn1 B5 B10 . . . . -156.1(2) ?
B2 Sn1 B5 B1 . . . . -37.39(19) ?
B4 Sn1 B5 B1 . . . . -122.4(3) ?
B3 Sn1 B5 B1 . . . . -84.6(2) ?
Mo1 Sn1 B5 B1 . . . . 107.5(3) ?
B2 Sn1 B5 B4 . . . . 85.0(2) ?
B3 Sn1 B5 B4 . . . . 37.81(19) ?
B1 Sn1 B5 B4 . . . . 122.4(3) ?
Mo1 Sn1 B5 B4 . . . . -130.1(3) ?
B1 B5 B6 B10 . . . . 136.4(3) ?
B4 B5 B6 B10 . . . . 36.0(3) ?
Sn1 B5 B6 B10 . . . . 107.4(3) ?
B10 B5 B6 B1 . . . . -136.4(3) ?
B4 B5 B6 B1 . . . . -100.4(3) ?
Sn1 B5 B6 B1 . . . . -29.0(3) ?
B10 B5 B6 B7 . . . . -98.5(3) ?
B1 B5 B6 B7 . . . . 37.8(3) ?
B4 B5 B6 B7 . . . . -62.5(4) ?
Sn1 B5 B6 B7 . . . . 8.9(4) ?
B10 B5 B6 B11 . . . . -35.6(3) ?
B1 B5 B6 B11 . . . . 100.8(3) ?
B4 B5 B6 B11 . . . . 0.5(4) ?
Sn1 B5 B6 B11 . . . . 71.8(3) ?
B7 B1 B6 B5 . . . . 138.0(3) ?
B2 B1 B6 B5 . . . . 100.1(3) ?
Sn1 B1 B6 B5 . . . . 28.3(3) ?
B7 B1 B6 B10 . . . . 98.2(3) ?
B2 B1 B6 B10 . . . . 60.3(4) ?
B5 B1 B6 B10 . . . . -39.8(3) ?
Sn1 B1 B6 B10 . . . . -11.4(4) ?
B2 B1 B6 B7 . . . . -38.0(3) ?
B5 B1 B6 B7 . . . . -138.0(3) ?
Sn1 B1 B6 B7 . . . . -109.7(3) ?
B7 B1 B6 B11 . . . . 34.6(3) ?
B2 B1 B6 B11 . . . . -3.4(4) ?
B5 B1 B6 B11 . . . . -103.4(3) ?
Sn1 B1 B6 B11 . . . . -75.1(3) ?
B11 B7 B6 B5 . . . . 101.2(3) ?
B1 B7 B6 B5 . . . . -39.7(3) ?
B8 B7 B6 B5 . . . . 63.3(4) ?
B2 B7 B6 B5 . . . . -0.3(4) ?
B11 B7 B6 B10 . . . . 37.0(3) ?
B1 B7 B6 B10 . . . . -103.8(3) ?
B8 B7 B6 B10 . . . . -0.8(4) ?
B2 B7 B6 B10 . . . . -64.4(4) ?
B11 B7 B6 B1 . . . . 140.9(3) ?
B8 B7 B6 B1 . . . . 103.0(3) ?
B2 B7 B6 B1 . . . . 39.4(3) ?
B1 B7 B6 B11 . . . . -140.9(3) ?
B8 B7 B6 B11 . . . . -37.8(3) ?
B2 B7 B6 B11 . . . . -101.4(3) ?
B7 B11 B6 B5 . . . . -102.4(3) ?
B10 B11 B6 B5 . . . . 35.8(3) ?
B8 B11 B6 B5 . . . . -64.6(4) ?
B9 B11 B6 B5 . . . . -1.2(4) ?
B7 B11 B6 B10 . . . . -138.2(3) ?
B8 B11 B6 B10 . . . . -100.4(3) ?
B9 B11 B6 B10 . . . . -37.0(3) ?
B7 B11 B6 B1 . . . . -34.8(3) ?
B10 B11 B6 B1 . . . . 103.4(3) ?
B8 B11 B6 B1 . . . . 3.0(4) ?
B9 B11 B6 B1 . . . . 66.4(4) ?
B10 B11 B6 B7 . . . . 138.2(3) ?
B8 B11 B6 B7 . . . . 37.8(3) ?
B9 B11 B6 B7 . . . . 101.2(3) ?
B5 B6 B10 B11 . . . . -140.7(3) ?
B1 B6 B10 B11 . . . . -99.5(3) ?
B7 B6 B10 B11 . . . . -36.6(3) ?
B5 B6 B10 B4 . . . . -39.8(3) ?
B1 B6 B10 B4 . . . . 1.4(4) ?
B7 B6 B10 B4 . . . . 64.4(4) ?
B11 B6 B10 B4 . . . . 100.9(3) ?
B1 B6 B10 B5 . . . . 41.2(3) ?
B7 B6 B10 B5 . . . . 104.1(3) ?
B11 B6 B10 B5 . . . . 140.7(3) ?
B5 B6 B10 B9 . . . . -103.7(3) ?
B1 B6 B10 B9 . . . . -62.6(4) ?
B7 B6 B10 B9 . . . . 0.4(4) ?
B11 B6 B10 B9 . . . . 36.9(3) ?
B7 B11 B10 B6 . . . . 37.6(3) ?
B8 B11 B10 B6 . . . . 101.6(3) ?
B9 B11 B10 B6 . . . . 138.9(3) ?
B7 B11 B10 B4 . . . . -65.9(4) ?
B8 B11 B10 B4 . . . . -1.9(4) ?
B9 B11 B10 B4 . . . . 35.4(3) ?
B6 B11 B10 B4 . . . . -103.5(3) ?
B7 B11 B10 B5 . . . . 2.3(4) ?
B8 B11 B10 B5 . . . . 66.3(4) ?
B9 B11 B10 B5 . . . . 103.6(3) ?
B6 B11 B10 B5 . . . . -35.3(3) ?
B7 B11 B10 B9 . . . . -101.3(3) ?
B8 B11 B10 B9 . . . . -37.3(3) ?
B6 B11 B10 B9 . . . . -138.9(3) ?
B9 B4 B10 B6 . . . . -100.2(3) ?
B3 B4 B10 B6 . . . . -63.6(4) ?
B5 B4 B10 B6 . . . . 37.8(3) ?
Sn1 B4 B10 B6 . . . . 9.2(4) ?
B9 B4 B10 B11 . . . . -35.5(3) ?
B3 B4 B10 B11 . . . . 1.1(4) ?
B5 B4 B10 B11 . . . . 102.6(3) ?
Sn1 B4 B10 B11 . . . . 74.0(4) ?
B9 B4 B10 B5 . . . . -138.1(3) ?
B3 B4 B10 B5 . . . . -101.5(3) ?
Sn1 B4 B10 B5 . . . . -28.6(3) ?
B3 B4 B10 B9 . . . . 36.6(3) ?
B5 B4 B10 B9 . . . . 138.1(3) ?
Sn1 B4 B10 B9 . . . . 109.5(3) ?
B1 B5 B10 B6 . . . . -37.7(3) ?
B4 B5 B10 B6 . . . . -138.2(3) ?
Sn1 B5 B10 B6 . . . . -110.0(3) ?
B6 B5 B10 B11 . . . . 35.7(3) ?
B1 B5 B10 B11 . . . . -2.0(4) ?
B4 B5 B10 B11 . . . . -102.5(3) ?
Sn1 B5 B10 B11 . . . . -74.3(4) ?
B6 B5 B10 B4 . . . . 138.2(3) ?
B1 B5 B10 B4 . . . . 100.5(3) ?
Sn1 B5 B10 B4 . . . . 28.2(3) ?
B6 B5 B10 B9 . . . . 100.0(3) ?
B1 B5 B10 B9 . . . . 62.3(4) ?
B4 B5 B10 B9 . . . . -38.2(3) ?
Sn1 B5 B10 B9 . . . . -10.0(4) ?
B2 B3 B9 B8 . . . . 37.0(3) ?
B4 B3 B9 B8 . . . . 137.6(3) ?
Sn1 B3 B9 B8 . . . . 108.8(3) ?
B8 B3 B9 B4 . . . . -137.6(3) ?
B2 B3 B9 B4 . . . . -100.7(3) ?
Sn1 B3 B9 B4 . . . . -28.9(3) ?
B8 B3 B9 B11 . . . . -35.9(3) ?
B2 B3 B9 B11 . . . . 1.1(4) ?
B4 B3 B9 B11 . . . . 101.7(3) ?
Sn1 B3 B9 B11 . . . . 72.9(3) ?
B8 B3 B9 B10 . . . . -99.6(3) ?
B2 B3 B9 B10 . . . . -62.6(4) ?
B4 B3 B9 B10 . . . . 38.0(3) ?
Sn1 B3 B9 B10 . . . . 9.2(4) ?
B11 B8 B9 B3 . . . . -140.3(3) ?
B7 B8 B9 B3 . . . . -103.9(3) ?
B2 B8 B9 B3 . . . . -39.1(3) ?
B3 B8 B9 B4 . . . . 39.7(3) ?
B11 B8 B9 B4 . . . . -100.6(3) ?
B7 B8 B9 B4 . . . . -64.2(4) ?
B2 B8 B9 B4 . . . . 0.6(4) ?
B3 B8 B9 B11 . . . . 140.3(3) ?
B7 B8 B9 B11 . . . . 36.4(3) ?
B2 B8 B9 B11 . . . . 101.2(3) ?
B3 B8 B9 B10 . . . . 103.2(3) ?
B11 B8 B9 B10 . . . . -37.1(3) ?
B7 B8 B9 B10 . . . . -0.7(4) ?
B2 B8 B9 B10 . . . . 64.1(4) ?
B10 B4 B9 B3 . . . . 137.9(3) ?
B5 B4 B9 B3 . . . . 101.5(3) ?
Sn1 B4 B9 B3 . . . . 29.1(3) ?
B10 B4 B9 B8 . . . . 99.3(3) ?
B3 B4 B9 B8 . . . . -38.5(3) ?
B5 B4 B9 B8 . . . . 62.9(4) ?
Sn1 B4 B9 B8 . . . . -9.4(4) ?
B10 B4 B9 B11 . . . . 35.2(3) ?
B3 B4 B9 B11 . . . . -102.6(3) ?
B5 B4 B9 B11 . . . . -1.2(4) ?
Sn1 B4 B9 B11 . . . . -73.5(4) ?
B3 B4 B9 B10 . . . . -137.9(3) ?
B5 B4 B9 B10 . . . . -36.4(3) ?
Sn1 B4 B9 B10 . . . . -108.7(3) ?
B7 B11 B9 B3 . . . . -1.4(4) ?
B10 B11 B9 B3 . . . . -102.3(3) ?
B8 B11 B9 B3 . . . . 35.9(3) ?
B6 B11 B9 B3 . . . . -65.5(4) ?
B7 B11 B9 B8 . . . . -37.3(3) ?
B10 B11 B9 B8 . . . . -138.2(3) ?
B6 B11 B9 B8 . . . . -101.5(3) ?
B7 B11 B9 B4 . . . . 65.6(4) ?
B10 B11 B9 B4 . . . . -35.3(3) ?
B8 B11 B9 B4 . . . . 102.9(3) ?
B6 B11 B9 B4 . . . . 1.5(4) ?
B7 B11 B9 B10 . . . . 100.9(3) ?
B8 B11 B9 B10 . . . . 138.2(3) ?
B6 B11 B9 B10 . . . . 36.7(3) ?
B6 B10 B9 B3 . . . . 64.2(4) ?
B11 B10 B9 B3 . . . . 101.3(3) ?
B4 B10 B9 B3 . . . . -39.4(3) ?
B5 B10 B9 B3 . . . . 0.5(4) ?
B6 B10 B9 B8 . . . . 0.2(4) ?
B11 B10 B9 B8 . . . . 37.3(3) ?
B4 B10 B9 B8 . . . . -103.4(3) ?
B5 B10 B9 B8 . . . . -63.4(4) ?
B6 B10 B9 B4 . . . . 103.6(3) ?
B11 B10 B9 B4 . . . . 140.7(3) ?
B5 B10 B9 B4 . . . . 40.0(3) ?
B6 B10 B9 B11 . . . . -37.1(3) ?
B4 B10 B9 B11 . . . . -140.7(3) ?
B5 B10 B9 B11 . . . . -100.7(3) ?

_database_code_depnum_ccdc_archive 'CCDC 992553'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_holle21_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H53 B11 Cu2 N4 P2 Sn'
_chemical_formula_sum            'C33 H53 B11 Cu2 N4 P2 Sn'
_chemical_formula_weight         932.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.3130(2)
_cell_length_b                   20.9852(4)
_cell_length_c                   17.6376(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.3290(10)
_cell_angle_gamma                90.00
_cell_volume                     4153.05(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9948
_cell_measurement_theta_min      2.2780
_cell_measurement_theta_max      28.0392

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear intense yellow'
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1888
_exptl_absorpt_coefficient_mu    1.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.6685
_exptl_absorpt_correction_T_max  0.7456

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            70853
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0115
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.03
_diffrn_reflns_theta_max         28.06
_reflns_number_total             10020
_reflns_number_gt                8978
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?


_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0258P)²+3.5943P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10020
_refine_ls_number_parameters     488
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0208
_refine_ls_wR_factor_ref         0.0557
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.10660(14) 0.25274(7) 0.04708(9) 0.0163(3) Uani 1 1 d . A .
H1A H 0.0931 0.2706 0.0972 0.020 Uiso 1 1 calc R . .
H1B H 0.0276 0.2476 0.0163 0.020 Uiso 1 1 calc R . .
C3 C 0.05916(15) 0.12869(7) 0.10432(10) 0.0184(3) Uani 1 1 d . A .
C4 C -0.04513(16) 0.11224(8) 0.05728(10) 0.0228(3) Uani 1 1 d . . .
C5 C -0.13194(18) 0.07579(10) 0.08700(12) 0.0311(4) Uani 1 1 d . A .
H53 H -0.2035 0.0653 0.0552 0.037 Uiso 1 1 calc R . .
C6 C -0.11524(19) 0.05486(10) 0.16173(12) 0.0342(5) Uani 1 1 d . . .
H60 H -0.1744 0.0297 0.1811 0.041 Uiso 1 1 calc R A .
C7 C -0.01135(19) 0.07091(10) 0.20830(11) 0.0320(4) Uani 1 1 d . A .
H70 H 0.0008 0.0565 0.2598 0.038 Uiso 1 1 calc R . .
C8 C 0.07500(17) 0.10793(9) 0.18015(10) 0.0247(4) Uani 1 1 d . . .
H80 H 0.1454 0.1192 0.2127 0.030 Uiso 1 1 calc R A .
C10 C -0.0610(4) 0.0885(2) -0.0753(2) 0.0250(3) Uani 0.474(5) 1 d PDU A 1
H10A H -0.0752 0.1070 -0.1267 0.037 Uiso 0.474(5) 1 calc PR A 1
H10B H -0.1222 0.0565 -0.0695 0.037 Uiso 0.474(5) 1 calc PR A 1
H10C H 0.0178 0.0684 -0.0679 0.037 Uiso 0.474(5) 1 calc PR A 1
C11 C -0.1738(4) 0.1771(2) -0.0330(3) 0.0255(3) Uani 0.474(5) 1 d PDU A 1
H11A H -0.1790 0.1941 -0.0851 0.038 Uiso 0.474(5) 1 calc PR A 1
H11B H -0.1729 0.2124 0.0034 0.038 Uiso 0.474(5) 1 calc PR A 1
H11C H -0.2428 0.1497 -0.0287 0.038 Uiso 0.474(5) 1 calc PR A 1
N2 N -0.0661(4) 0.1405(2) -0.0165(2) 0.0172(8) Uani 0.474(5) 1 d PDU A 1
C100 C -0.0228(4) 0.0726(2) -0.0694(2) 0.0291(4) Uani 0.526(5) 1 d PU A 2
H10D H -0.0281 0.0847 -0.1234 0.044 Uiso 0.526(5) 1 calc PR A 2
H10E H -0.0792 0.0380 -0.0636 0.044 Uiso 0.526(5) 1 calc PR A 2
H10F H 0.0584 0.0582 -0.0514 0.044 Uiso 0.526(5) 1 calc PR A 2
C110 C -0.1689(4) 0.1546(2) -0.0530(3) 0.0342(4) Uani 0.526(5) 1 d PU A 2
H11D H -0.1835 0.1910 -0.0207 0.051 Uiso 0.526(5) 1 calc PR A 2
H11E H -0.2314 0.1226 -0.0505 0.051 Uiso 0.526(5) 1 calc PR A 2
H11F H -0.1697 0.1690 -0.1059 0.051 Uiso 0.526(5) 1 calc PR A 2
N20 N -0.0511(4) 0.1262(2) -0.0255(3) 0.0188(3) Uani 0.526(5) 1 d PU A 2
C12 C 0.29123(15) 0.18115(7) 0.14339(9) 0.0168(3) Uani 1 1 d . A .
C13 C 0.38895(15) 0.13933(8) 0.14595(9) 0.0185(3) Uani 1 1 d . . .
C14 C 0.32766(16) 0.03441(8) 0.10093(11) 0.0240(3) Uani 1 1 d . . .
H14A H 0.3309 0.0040 0.0591 0.036 Uiso 1 1 calc R . .
H14B H 0.2443 0.0447 0.1054 0.036 Uiso 1 1 calc R . .
H14C H 0.3651 0.0156 0.1489 0.036 Uiso 1 1 calc R . .
C15 C 0.51495(16) 0.07646(9) 0.07140(10) 0.0250(4) Uani 1 1 d . . .
H15A H 0.5117 0.0454 0.0297 0.038 Uiso 1 1 calc R . .
H15B H 0.5578 0.0580 0.1180 0.038 Uiso 1 1 calc R . .
H15C H 0.5566 0.1149 0.0575 0.038 Uiso 1 1 calc R . .
C16 C 0.47918(17) 0.14240(9) 0.20718(10) 0.0265(4) Uani 1 1 d . . .
H16 H 0.5446 0.1137 0.2098 0.032 Uiso 1 1 calc R . .
C17 C 0.4741(2) 0.18708(9) 0.26439(11) 0.0325(4) Uani 1 1 d . . .
H17 H 0.5364 0.1890 0.3059 0.039 Uiso 1 1 calc R . .
C18 C 0.37946(19) 0.22897(9) 0.26175(11) 0.0311(4) Uani 1 1 d . . .
H18 H 0.3773 0.2599 0.3009 0.037 Uiso 1 1 calc R . .
C19 C 0.28784(17) 0.22578(8) 0.20193(10) 0.0232(3) Uani 1 1 d . . .
H19 H 0.2221 0.2541 0.2006 0.028 Uiso 1 1 calc R . .
C20 C 0.07888(14) 0.36886(7) -0.03574(9) 0.0170(3) Uani 1 1 d . A .
C21 C 0.11347(15) 0.42144(8) -0.07677(9) 0.0190(3) Uani 1 1 d . . .
C22 C 0.02835(17) 0.46434(9) -0.10983(11) 0.0283(4) Uani 1 1 d . . .
H22 H 0.0523 0.5001 -0.1372 0.034 Uiso 1 1 calc R . .
C23 C -0.09048(18) 0.45523(10) -0.10311(13) 0.0357(5) Uani 1 1 d . . .
H23 H -0.1483 0.4843 -0.1265 0.043 Uiso 1 1 calc R . .
C24 C -0.12559(17) 0.40390(10) -0.06240(13) 0.0334(4) Uani 1 1 d . . .
H24 H -0.2076 0.3978 -0.0578 0.040 Uiso 1 1 calc R . .
C25 C -0.04174(16) 0.36114(9) -0.02812(11) 0.0251(4) Uani 1 1 d . . .
H25 H -0.0664 0.3264 0.0007 0.030 Uiso 1 1 calc R . .
C26 C 0.28788(19) 0.48682(9) -0.04547(13) 0.0342(4) Uani 1 1 d . . .
H26A H 0.3726 0.4903 -0.0514 0.051 Uiso 1 1 calc R . .
H26B H 0.2789 0.4847 0.0090 0.051 Uiso 1 1 calc R . .
H26C H 0.2451 0.5241 -0.0684 0.051 Uiso 1 1 calc R . .
C27 C 0.25860(17) 0.42780(10) -0.16401(11) 0.0291(4) Uani 1 1 d . . .
H27A H 0.3439 0.4328 -0.1673 0.044 Uiso 1 1 calc R . .
H27B H 0.2146 0.4629 -0.1913 0.044 Uiso 1 1 calc R . .
H27C H 0.2308 0.3872 -0.1872 0.044 Uiso 1 1 calc R . .
C28 C 0.29014(14) 0.35183(7) 0.07373(9) 0.0162(3) Uani 1 1 d . A .
C29 C 0.41370(14) 0.35099(7) 0.07294(9) 0.0171(3) Uani 1 1 d . . .
C30 C 0.52536(16) 0.36234(9) -0.03455(10) 0.0255(3) Uani 1 1 d . . .
H30A H 0.5603 0.3390 -0.0744 0.038 Uiso 1 1 calc R . .
H30B H 0.5883 0.3853 -0.0022 0.038 Uiso 1 1 calc R . .
H30C H 0.4664 0.3929 -0.0584 0.038 Uiso 1 1 calc R . .
C31 C 0.55686(16) 0.27076(9) 0.04780(11) 0.0250(3) Uani 1 1 d . . .
H31A H 0.5917 0.2482 0.0074 0.037 Uiso 1 1 calc R . .
H31B H 0.5188 0.2400 0.0788 0.037 Uiso 1 1 calc R . .
H31C H 0.6197 0.2936 0.0803 0.037 Uiso 1 1 calc R . .
C32 C 0.48739(16) 0.38233(8) 0.13054(10) 0.0229(3) Uani 1 1 d . . .
H32 H 0.5713 0.3818 0.1303 0.028 Uiso 1 1 calc R . .
C33 C 0.43904(17) 0.41417(9) 0.18806(10) 0.0256(4) Uani 1 1 d . . .
H33 H 0.4901 0.4353 0.2271 0.031 Uiso 1 1 calc R . .
C34 C 0.31712(16) 0.41548(8) 0.18922(10) 0.0236(3) Uani 1 1 d . . .
H34 H 0.2844 0.4373 0.2289 0.028 Uiso 1 1 calc R . .
C35 C 0.24280(15) 0.38464(8) 0.13185(9) 0.0198(3) Uani 1 1 d . . .
H35 H 0.1589 0.3859 0.1322 0.024 Uiso 1 1 calc R . .
N1 N 0.39220(12) 0.09335(7) 0.08483(8) 0.0188(3) Uani 1 1 d . . .
N3 N 0.23830(13) 0.42868(7) -0.08397(8) 0.0202(3) Uani 1 1 d . . .
N4 N 0.46652(12) 0.31690(6) 0.01284(8) 0.0170(3) Uani 1 1 d . . .
B1 B 0.34004(17) 0.09983(9) -0.13443(10) 0.0180(3) Uani 1 1 d . A .
B2 B 0.40152(16) 0.17663(8) -0.10080(10) 0.0158(3) Uani 1 1 d . A .
B3 B 0.37290(17) 0.23446(9) -0.17820(10) 0.0177(3) Uani 1 1 d . A .
B4 B 0.29746(18) 0.19336(9) -0.26276(11) 0.0215(4) Uani 1 1 d . A .
H5 H 0.2382 0.2190 -0.3086 0.026 Uiso 1 1 calc R . .
B5 B 0.27760(18) 0.10886(9) -0.23549(11) 0.0219(4) Uani 1 1 d . A .
H4 H 0.2050 0.0769 -0.2628 0.026 Uiso 1 1 calc R . .
B6 B 0.49748(17) 0.11722(9) -0.12959(11) 0.0193(4) Uani 1 1 d . . .
H6 H 0.5640 0.0925 -0.0871 0.023 Uiso 1 1 calc R . .
B7 B 0.51705(17) 0.19814(9) -0.15555(11) 0.0203(4) Uani 1 1 d . . .
H7 H 0.5960 0.2266 -0.1301 0.024 Uiso 1 1 calc R . .
B8 B 0.45350(19) 0.20844(10) -0.25235(11) 0.0232(4) Uani 1 1 d . . .
H8 H 0.4912 0.2438 -0.2903 0.028 Uiso 1 1 calc R . .
B9 B 0.3949(2) 0.13291(10) -0.28676(11) 0.0248(4) Uani 1 1 d . . .
H9 H 0.3940 0.1184 -0.3479 0.030 Uiso 1 1 calc R . .
B10 B 0.42188(19) 0.07655(9) -0.21004(11) 0.0229(4) Uani 1 1 d . . .
H10 H 0.4389 0.0249 -0.2203 0.028 Uiso 1 1 calc R . .
B11 B 0.53004(19) 0.13637(10) -0.22219(11) 0.0248(4) Uani 1 1 d . . .
H11 H 0.6180 0.1239 -0.2411 0.030 Uiso 1 1 calc R . .
P1 P 0.17428(4) 0.173699(18) 0.06296(2) 0.01432(8) Uani 1 1 d . . .
P2 P 0.19351(3) 0.310920(18) -0.00140(2) 0.01336(8) Uani 1 1 d . . .
Cu1 Cu 0.324564(17) 0.270476(9) -0.069393(11) 0.01585(5) Uani 1 1 d . A .
Cu2 Cu 0.285981(17) 0.135026(9) -0.021713(11) 0.01706(5) Uani 1 1 d . A .
Sn1 Sn 0.180897(10) 0.181800(5) -0.160987(6) 0.01793(3) Uani 1 1 d . . .
H2 H 0.417(2) 0.1894(10) -0.0400(13) 0.028(6) Uiso 1 1 d . . .
H1 H 0.3133(18) 0.0626(10) -0.0945(12) 0.024(5) Uiso 1 1 d . . .
H3 H 0.3636(19) 0.2851(11) -0.1678(12) 0.028(6) Uiso 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 P1 1.8334(16) . ?
C1 P2 1.8447(16) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C3 C8 1.396(2) . ?
C3 C4 1.396(2) . ?
C3 P1 1.8339(16) . ?
C4 C5 1.398(2) . ?
C4 N2 1.422(5) . ?
C4 N20 1.482(5) . ?
C5 C6 1.379(3) . ?
C5 H53 0.9500 . ?
C6 C7 1.387(3) . ?
C6 H60 0.9500 . ?
C7 C8 1.389(3) . ?
C7 H70 0.9500 . ?
C8 H80 0.9500 . ?
C10 N2 1.511(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 N2 1.438(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C100 N20 1.427(6) . ?
C100 H10D 0.9800 . ?
C100 H10E 0.9800 . ?
C100 H10F 0.9800 . ?
C110 N20 1.484(6) . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C12 C19 1.398(2) . ?
C12 C13 1.408(2) . ?
C12 P1 1.8189(17) . ?
C13 C16 1.390(2) . ?
C13 N1 1.451(2) . ?
C14 N1 1.482(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 N1 1.481(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.384(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.383(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.398(2) . ?
C20 C21 1.402(2) . ?
C20 P2 1.8239(16) . ?
C21 C22 1.391(2) . ?
C21 N3 1.442(2) . ?
C22 C23 1.378(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.387(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 N3 1.472(2) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 N3 1.459(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C35 1.397(2) . ?
C28 C29 1.400(2) . ?
C28 P2 1.8216(16) . ?
C29 C32 1.394(2) . ?
C29 N4 1.468(2) . ?
C30 N4 1.481(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 N4 1.484(2) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.384(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.382(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.390(2) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
N1 Cu2 2.2724(14) . ?
N4 Cu1 2.2444(14) . ?
B1 B10 1.786(3) . ?
B1 B6 1.809(3) . ?
B1 B2 1.824(3) . ?
B1 B5 1.841(3) . ?
B1 Cu2 2.2764(18) . ?
B1 Sn1 2.4909(18) . ?
B1 H1 1.12(2) . ?
B2 B6 1.769(2) . ?
B2 B7 1.779(3) . ?
B2 B3 1.824(3) . ?
B2 Cu2 2.2094(18) . ?
B2 Cu1 2.2508(17) . ?
B2 Sn1 2.5870(18) . ?
B2 H2 1.10(2) . ?
B3 B8 1.773(3) . ?
B3 B7 1.798(3) . ?
B3 B4 1.836(3) . ?
B3 Cu1 2.1956(18) . ?
B3 Sn1 2.4899(18) . ?
B3 H3 1.08(2) . ?
B4 B9 1.767(3) . ?
B4 B8 1.780(3) . ?
B4 B5 1.859(3) . ?
B4 Sn1 2.3715(19) . ?
B4 H5 1.1200 . ?
B5 B10 1.772(3) . ?
B5 B9 1.772(3) . ?
B5 Sn1 2.3735(19) . ?
B5 H4 1.1200 . ?
B6 B11 1.766(3) . ?
B6 B10 1.779(3) . ?
B6 B7 1.780(3) . ?
B6 H6 1.1200 . ?
B7 B11 1.768(3) . ?
B7 B8 1.779(3) . ?
B7 H7 1.1200 . ?
B8 B11 1.790(3) . ?
B8 B9 1.794(3) . ?
B8 H8 1.1200 . ?
B9 B11 1.788(3) . ?
B9 B10 1.794(3) . ?
B9 H9 1.1200 . ?
B10 B11 1.785(3) . ?
B10 H10 1.1200 . ?
B11 H11 1.1200 . ?
P1 Cu2 2.2287(4) . ?
P2 Cu1 2.1932(4) . ?
Cu1 Sn1 2.8363(2) . ?
Cu1 Cu2 3.0118(3) . ?
Cu1 H2 2.03(2) . ?
Cu1 H3 1.87(2) . ?
Cu2 Sn1 2.7687(2) . ?
Cu2 H2 1.93(2) . ?
Cu2 H1 2.04(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 C1 P2 115.64(8) . . ?
P1 C1 H1A 108.4 . . ?
P2 C1 H1A 108.4 . . ?
P1 C1 H1B 108.4 . . ?
P2 C1 H1B 108.4 . . ?
H1A C1 H1B 107.4 . . ?
C8 C3 C4 119.18(15) . . ?
C8 C3 P1 122.06(13) . . ?
C4 C3 P1 118.69(12) . . ?
C3 C4 C5 119.54(17) . . ?
C3 C4 N2 118.1(2) . . ?
C5 C4 N2 121.8(2) . . ?
C3 C4 N20 117.7(2) . . ?
C5 C4 N20 122.1(2) . . ?
N2 C4 N20 15.15(18) . . ?
C6 C5 C4 121.01(19) . . ?
C6 C5 H53 119.5 . . ?
C4 C5 H53 119.5 . . ?
C5 C6 C7 119.42(17) . . ?
C5 C6 H60 120.3 . . ?
C7 C6 H60 120.3 . . ?
C6 C7 C8 120.38(18) . . ?
C6 C7 H70 119.8 . . ?
C8 C7 H70 119.8 . . ?
C7 C8 C3 120.46(18) . . ?
C7 C8 H80 119.8 . . ?
C3 C8 H80 119.8 . . ?
N2 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C4 N2 C11 116.5(3) . . ?
C4 N2 C10 108.1(3) . . ?
C11 N2 C10 110.6(4) . . ?
N20 C100 H10D 109.5 . . ?
N20 C100 H10E 109.5 . . ?
H10D C100 H10E 109.5 . . ?
N20 C100 H10F 109.5 . . ?
H10D C100 H10F 109.5 . . ?
H10E C100 H10F 109.5 . . ?
N20 C110 H11D 109.5 . . ?
N20 C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
N20 C110 H11F 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C100 N20 C4 113.2(3) . . ?
C100 N20 C110 113.2(4) . . ?
C4 N20 C110 109.1(3) . . ?
C19 C12 C13 119.29(15) . . ?
C19 C12 P1 123.22(13) . . ?
C13 C12 P1 117.49(12) . . ?
C16 C13 C12 119.48(15) . . ?
C16 C13 N1 121.51(15) . . ?
C12 C13 N1 119.01(14) . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C13 120.23(17) . . ?
C17 C16 H16 119.9 . . ?
C13 C16 H16 119.9 . . ?
C18 C17 C16 120.69(18) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 119.80(17) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C19 C12 120.49(17) . . ?
C18 C19 H19 119.8 . . ?
C12 C19 H19 119.8 . . ?
C25 C20 C21 118.76(15) . . ?
C25 C20 P2 123.53(13) . . ?
C21 C20 P2 117.54(12) . . ?
C22 C21 C20 120.12(16) . . ?
C22 C21 N3 121.89(15) . . ?
C20 C21 N3 117.99(14) . . ?
C23 C22 C21 120.34(17) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 120.10(18) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.35(18) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C24 C25 C20 120.32(17) . . ?
C24 C25 H25 119.8 . . ?
C20 C25 H25 119.8 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C35 C28 C29 119.35(15) . . ?
C35 C28 P2 121.02(13) . . ?
C29 C28 P2 119.62(12) . . ?
C32 C29 C28 119.47(15) . . ?
C32 C29 N4 119.71(14) . . ?
C28 C29 N4 120.82(14) . . ?
N4 C30 H30A 109.5 . . ?
N4 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N4 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N4 C31 H31A 109.5 . . ?
N4 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
N4 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C29 120.42(16) . . ?
C33 C32 H32 119.8 . . ?
C29 C32 H32 119.8 . . ?
C34 C33 C32 120.58(16) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C33 C34 C35 119.46(16) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C34 C35 C28 120.71(16) . . ?
C34 C35 H35 119.6 . . ?
C28 C35 H35 119.6 . . ?
C13 N1 C15 113.02(14) . . ?
C13 N1 C14 110.66(13) . . ?
C15 N1 C14 109.01(13) . . ?
C13 N1 Cu2 107.32(10) . . ?
C15 N1 Cu2 111.56(10) . . ?
C14 N1 Cu2 104.96(10) . . ?
C21 N3 C27 111.14(14) . . ?
C21 N3 C26 111.50(14) . . ?
C27 N3 C26 111.04(15) . . ?
C29 N4 C30 110.33(13) . . ?
C29 N4 C31 109.89(13) . . ?
C30 N4 C31 108.62(13) . . ?
C29 N4 Cu1 110.77(10) . . ?
C30 N4 Cu1 104.53(10) . . ?
C31 N4 Cu1 112.55(10) . . ?
B10 B1 B6 59.30(11) . . ?
B10 B1 B2 105.79(13) . . ?
B6 B1 B2 58.28(10) . . ?
B10 B1 B5 58.45(11) . . ?
B6 B1 B5 106.19(13) . . ?
B2 B1 B5 107.89(12) . . ?
B10 B1 Cu2 164.48(13) . . ?
B6 B1 Cu2 105.42(10) . . ?
B2 B1 Cu2 64.10(8) . . ?
B5 B1 Cu2 134.38(11) . . ?
B10 B1 Sn1 118.66(11) . . ?
B6 B1 Sn1 123.58(11) . . ?
B2 B1 Sn1 71.79(8) . . ?
B5 B1 Sn1 64.41(8) . . ?
Cu2 B1 Sn1 70.85(5) . . ?
B10 B1 H1 119.1(11) . . ?
B6 B1 H1 117.0(11) . . ?
B2 B1 H1 122.3(11) . . ?
B5 B1 H1 125.4(11) . . ?
Cu2 B1 H1 63.4(11) . . ?
Sn1 B1 H1 110.7(11) . . ?
B6 B2 B7 60.20(11) . . ?
B6 B2 B1 60.44(10) . . ?
B7 B2 B1 108.88(12) . . ?
B6 B2 B3 108.10(12) . . ?
B7 B2 B3 59.85(10) . . ?
B1 B2 B3 108.69(12) . . ?
B6 B2 Cu2 109.68(11) . . ?
B7 B2 Cu2 167.81(12) . . ?
B1 B2 Cu2 67.94(8) . . ?
B3 B2 Cu2 132.26(11) . . ?
B6 B2 Cu1 163.29(12) . . ?
B7 B2 Cu1 104.22(10) . . ?
B1 B2 Cu1 135.20(11) . . ?
B3 B2 Cu1 64.20(8) . . ?
Cu2 B2 Cu1 84.94(6) . . ?
B6 B2 Sn1 120.46(10) . . ?
B7 B2 Sn1 120.24(11) . . ?
B1 B2 Sn1 66.15(8) . . ?
B3 B2 Sn1 66.12(8) . . ?
Cu2 B2 Sn1 70.01(5) . . ?
Cu1 B2 Sn1 71.40(5) . . ?
B6 B2 H2 115.2(11) . . ?
B7 B2 H2 115.6(12) . . ?
B1 B2 H2 122.7(11) . . ?
B3 B2 H2 124.1(11) . . ?
Cu2 B2 H2 60.8(11) . . ?
Cu1 B2 H2 64.2(11) . . ?
Sn1 B2 H2 114.5(12) . . ?
B8 B3 B7 59.75(11) . . ?
B8 B3 B2 106.75(13) . . ?
B7 B3 B2 58.83(10) . . ?
B8 B3 B4 59.05(11) . . ?
B7 B3 B4 107.20(13) . . ?
B2 B3 B4 108.36(12) . . ?
B8 B3 Cu1 163.64(13) . . ?
B7 B3 Cu1 105.76(10) . . ?
B2 B3 Cu1 67.37(8) . . ?
B4 B3 Cu1 136.87(12) . . ?
B8 B3 Sn1 119.46(11) . . ?
B7 B3 Sn1 124.42(11) . . ?
B2 B3 Sn1 71.81(8) . . ?
B4 B3 Sn1 64.42(8) . . ?
Cu1 B3 Sn1 74.21(5) . . ?
B8 B3 H3 119.7(11) . . ?
B7 B3 H3 118.8(12) . . ?
B2 B3 H3 122.4(11) . . ?
B4 B3 H3 123.5(12) . . ?
Cu1 B3 H3 58.3(11) . . ?
Sn1 B3 H3 108.0(11) . . ?
B9 B4 B8 60.77(12) . . ?
B9 B4 B3 107.00(14) . . ?
B8 B4 B3 58.71(11) . . ?
B9 B4 B5 58.44(11) . . ?
B8 B4 B5 107.10(14) . . ?
B3 B4 B5 107.27(12) . . ?
B9 B4 Sn1 122.13(12) . . ?
B8 B4 Sn1 125.46(11) . . ?
B3 B4 Sn1 71.27(8) . . ?
B5 B4 Sn1 66.99(9) . . ?
B9 B4 H5 120.4 . . ?
B8 B4 H5 118.9 . . ?
B3 B4 H5 122.3 . . ?
B5 B4 H5 124.4 . . ?
Sn1 B4 H5 104.8 . . ?
B10 B5 B9 60.82(12) . . ?
B10 B5 B1 59.21(10) . . ?
B9 B5 B1 107.67(14) . . ?
B10 B5 B4 107.02(14) . . ?
B9 B5 B4 58.19(11) . . ?
B1 B5 B4 107.73(13) . . ?
B10 B5 Sn1 125.55(11) . . ?
B9 B5 Sn1 121.80(12) . . ?
B1 B5 Sn1 71.18(8) . . ?
B4 B5 Sn1 66.88(8) . . ?
B10 B5 H4 118.8 . . ?
B9 B5 H4 120.4 . . ?
B1 B5 H4 121.6 . . ?
B4 B5 H4 124.4 . . ?
Sn1 B5 H4 105.0 . . ?
B11 B6 B2 108.25(13) . . ?
B11 B6 B10 60.47(11) . . ?
B2 B6 B10 108.47(13) . . ?
B11 B6 B7 59.84(11) . . ?
B2 B6 B7 60.18(10) . . ?
B10 B6 B7 108.39(13) . . ?
B11 B6 B1 108.81(13) . . ?
B2 B6 B1 61.28(10) . . ?
B10 B6 B1 59.69(11) . . ?
B7 B6 B1 109.53(13) . . ?
B11 B6 H6 121.6 . . ?
B2 B6 H6 121.2 . . ?
B10 B6 H6 121.7 . . ?
B7 B6 H6 121.3 . . ?
B1 B6 H6 120.8 . . ?
B11 B7 B8 60.59(11) . . ?
B11 B7 B2 107.69(14) . . ?
B8 B7 B2 108.47(13) . . ?
B11 B7 B6 59.69(11) . . ?
B8 B7 B6 108.33(14) . . ?
B2 B7 B6 59.63(10) . . ?
B11 B7 B3 108.24(14) . . ?
B8 B7 B3 59.42(11) . . ?
B2 B7 B3 61.32(10) . . ?
B6 B7 B3 108.82(13) . . ?
B11 B7 H7 121.8 . . ?
B8 B7 H7 121.6 . . ?
B2 B7 H7 121.5 . . ?
B6 B7 H7 121.7 . . ?
B3 B7 H7 121.2 . . ?
B3 B8 B7 60.82(10) . . ?
B3 B8 B4 62.24(11) . . ?
B7 B8 B4 110.58(13) . . ?
B3 B8 B11 108.41(13) . . ?
B7 B8 B11 59.41(11) . . ?
B4 B8 B11 108.45(14) . . ?
B3 B8 B9 108.60(14) . . ?
B7 B8 B9 107.69(14) . . ?
B4 B8 B9 59.27(11) . . ?
B11 B8 B9 59.86(12) . . ?
B3 B8 H8 120.5 . . ?
B7 B8 H8 121.1 . . ?
B4 B8 H8 120.3 . . ?
B11 B8 H8 122.1 . . ?
B9 B8 H8 122.4 . . ?
B4 B9 B5 63.37(11) . . ?
B4 B9 B11 109.10(14) . . ?
B5 B9 B11 108.77(14) . . ?
B4 B9 B10 110.13(13) . . ?
B5 B9 B10 59.58(11) . . ?
B11 B9 B10 59.78(12) . . ?
B4 B9 B8 59.97(11) . . ?
B5 B9 B8 110.35(13) . . ?
B11 B9 B8 59.96(12) . . ?
B10 B9 B8 107.90(14) . . ?
B4 B9 H9 119.8 . . ?
B5 B9 H9 120.0 . . ?
B11 B9 H9 121.8 . . ?
B10 B9 H9 121.9 . . ?
B8 B9 H9 121.5 . . ?
B5 B10 B6 110.62(13) . . ?
B5 B10 B11 108.91(14) . . ?
B6 B10 B11 59.41(11) . . ?
B5 B10 B1 62.34(11) . . ?
B6 B10 B1 61.01(10) . . ?
B11 B10 B1 109.02(13) . . ?
B5 B10 B9 59.59(11) . . ?
B6 B10 B9 107.68(14) . . ?
B11 B10 B9 59.95(12) . . ?
B1 B10 B9 109.17(13) . . ?
B5 B10 H10 120.1 . . ?
B6 B10 H10 121.2 . . ?
B11 B10 H10 121.8 . . ?
B1 B10 H10 120.1 . . ?
B9 B10 H10 122.2 . . ?
B6 B11 B7 60.47(11) . . ?
B6 B11 B10 60.12(11) . . ?
B7 B11 B10 108.62(13) . . ?
B6 B11 B9 108.51(14) . . ?
B7 B11 B9 108.44(14) . . ?
B10 B11 B9 60.27(12) . . ?
B6 B11 B8 108.49(13) . . ?
B7 B11 B8 60.00(11) . . ?
B10 B11 B8 108.47(14) . . ?
B9 B11 B8 60.19(12) . . ?
B6 B11 H11 121.4 . . ?
B7 B11 H11 121.4 . . ?
B10 B11 H11 121.4 . . ?
B9 B11 H11 121.4 . . ?
B8 B11 H11 121.5 . . ?
C12 P1 C1 106.82(7) . . ?
C12 P1 C3 102.52(7) . . ?
C1 P1 C3 102.88(7) . . ?
C12 P1 Cu2 97.80(5) . . ?
C1 P1 Cu2 119.24(5) . . ?
C3 P1 Cu2 124.83(5) . . ?
C28 P2 C20 105.22(7) . . ?
C28 P2 C1 106.30(7) . . ?
C20 P2 C1 101.35(7) . . ?
C28 P2 Cu1 101.26(5) . . ?
C20 P2 Cu1 125.31(5) . . ?
C1 P2 Cu1 115.77(5) . . ?
P2 Cu1 B3 150.72(5) . . ?
P2 Cu1 N4 87.51(4) . . ?
B3 Cu1 N4 118.47(6) . . ?
P2 Cu1 B2 141.52(5) . . ?
B3 Cu1 B2 48.43(7) . . ?
N4 Cu1 B2 105.75(6) . . ?
P2 Cu1 Sn1 100.784(13) . . ?
B3 Cu1 Sn1 57.65(5) . . ?
N4 Cu1 Sn1 164.50(4) . . ?
B2 Cu1 Sn1 59.82(5) . . ?
P2 Cu1 Cu2 94.611(12) . . ?
B3 Cu1 Cu2 88.87(5) . . ?
N4 Cu1 Cu2 110.27(4) . . ?
B2 Cu1 Cu2 46.95(5) . . ?
Sn1 Cu1 Cu2 56.420(6) . . ?
P2 Cu1 H2 123.2(6) . . ?
B3 Cu1 H2 75.9(6) . . ?
N4 Cu1 H2 84.1(6) . . ?
B2 Cu1 H2 29.1(6) . . ?
Sn1 Cu1 H2 80.5(6) . . ?
Cu2 Cu1 H2 39.2(6) . . ?
P2 Cu1 H3 134.5(7) . . ?
B3 Cu1 H3 29.6(7) . . ?
N4 Cu1 H3 107.1(7) . . ?
B2 Cu1 H3 76.7(7) . . ?
Sn1 Cu1 H3 76.4(7) . . ?
Cu2 Cu1 H3 118.3(7) . . ?
H2 Cu1 H3 101.5(9) . . ?
B2 Cu2 P1 135.30(5) . . ?
B2 Cu2 N1 112.40(6) . . ?
P1 Cu2 N1 82.60(4) . . ?
B2 Cu2 B1 47.96(7) . . ?
P1 Cu2 B1 160.35(5) . . ?
N1 Cu2 B1 115.13(6) . . ?
B2 Cu2 Sn1 61.41(5) . . ?
P1 Cu2 Sn1 104.443(13) . . ?
N1 Cu2 Sn1 172.76(4) . . ?
B1 Cu2 Sn1 58.19(5) . . ?
B2 Cu2 Cu1 48.11(5) . . ?
P1 Cu2 Cu1 87.603(12) . . ?
N1 Cu2 Cu1 120.92(4) . . ?
B1 Cu2 Cu1 89.87(5) . . ?
Sn1 Cu2 Cu1 58.587(6) . . ?
B2 Cu2 H2 29.8(7) . . ?
P1 Cu2 H2 114.2(6) . . ?
N1 Cu2 H2 91.7(7) . . ?
B1 Cu2 H2 75.4(6) . . ?
Sn1 Cu2 H2 83.9(7) . . ?
Cu1 Cu2 H2 41.7(6) . . ?
B2 Cu2 H1 75.4(6) . . ?
P1 Cu2 H1 146.9(6) . . ?
N1 Cu2 H1 97.3(6) . . ?
B1 Cu2 H1 29.4(6) . . ?
Sn1 Cu2 H1 77.8(6) . . ?
Cu1 Cu2 H1 119.3(6) . . ?
H2 Cu2 H1 98.9(9) . . ?
B4 Sn1 B5 46.12(7) . . ?
B4 Sn1 B3 44.30(6) . . ?
B5 Sn1 B3 75.40(6) . . ?
B4 Sn1 B1 75.80(6) . . ?
B5 Sn1 B1 44.40(6) . . ?
B3 Sn1 B1 73.06(6) . . ?
B4 Sn1 B2 73.40(6) . . ?
B5 Sn1 B2 73.23(6) . . ?
B3 Sn1 B2 42.07(6) . . ?
B1 Sn1 B2 42.05(6) . . ?
B4 Sn1 Cu2 119.38(5) . . ?
B5 Sn1 Cu2 94.96(5) . . ?
B3 Sn1 Cu2 89.03(4) . . ?
B1 Sn1 Cu2 50.96(4) . . ?
B2 Sn1 Cu2 48.58(4) . . ?
B4 Sn1 Cu1 91.74(5) . . ?
B5 Sn1 Cu1 117.86(5) . . ?
B3 Sn1 Cu1 48.15(4) . . ?
B1 Sn1 Cu1 89.89(4) . . ?
B2 Sn1 Cu1 48.78(4) . . ?
Cu2 Sn1 Cu1 64.993(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C3 C4 C5 0.5(3) . . . . ?
P1 C3 C4 C5 177.51(14) . . . . ?
C8 C3 C4 N2 172.2(2) . . . . ?
P1 C3 C4 N2 -10.8(3) . . . . ?
C8 C3 C4 N20 -170.7(2) . . . . ?
P1 C3 C4 N20 6.4(3) . . . . ?
C3 C4 C5 C6 -1.2(3) . . . . ?
N2 C4 C5 C6 -172.5(2) . . . . ?
N20 C4 C5 C6 169.6(3) . . . . ?
C4 C5 C6 C7 0.8(3) . . . . ?
C5 C6 C7 C8 0.2(3) . . . . ?
C6 C7 C8 C3 -0.9(3) . . . . ?
C4 C3 C8 C7 0.6(3) . . . . ?
P1 C3 C8 C7 -176.39(14) . . . . ?
C3 C4 N2 C11 -121.1(3) . . . . ?
C5 C4 N2 C11 50.4(4) . . . . ?
N20 C4 N2 C11 146.2(15) . . . . ?
C3 C4 N2 C10 113.6(3) . . . . ?
C5 C4 N2 C10 -74.9(3) . . . . ?
N20 C4 N2 C10 21.0(11) . . . . ?
C3 C4 N20 C100 97.3(4) . . . . ?
C5 C4 N20 C100 -73.6(4) . . . . ?
N2 C4 N20 C100 -167.3(16) . . . . ?
C3 C4 N20 C110 -135.7(3) . . . . ?
C5 C4 N20 C110 53.4(4) . . . . ?
N2 C4 N20 C110 -40.3(11) . . . . ?
C19 C12 C13 C16 1.1(2) . . . . ?
P1 C12 C13 C16 -178.65(13) . . . . ?
C19 C12 C13 N1 -179.69(15) . . . . ?
P1 C12 C13 N1 0.6(2) . . . . ?
C12 C13 C16 C17 -1.3(3) . . . . ?
N1 C13 C16 C17 179.52(17) . . . . ?
C13 C16 C17 C18 0.3(3) . . . . ?
C16 C17 C18 C19 0.9(3) . . . . ?
C17 C18 C19 C12 -1.1(3) . . . . ?
C13 C12 C19 C18 0.1(3) . . . . ?
P1 C12 C19 C18 179.80(14) . . . . ?
C25 C20 C21 C22 -0.8(3) . . . . ?
P2 C20 C21 C22 174.62(14) . . . . ?
C25 C20 C21 N3 179.94(15) . . . . ?
P2 C20 C21 N3 -4.6(2) . . . . ?
C20 C21 C22 C23 -0.6(3) . . . . ?
N3 C21 C22 C23 178.67(18) . . . . ?
C21 C22 C23 C24 1.0(3) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C23 C24 C25 C20 -1.3(3) . . . . ?
C21 C20 C25 C24 1.7(3) . . . . ?
P2 C20 C25 C24 -173.42(16) . . . . ?
C35 C28 C29 C32 0.7(2) . . . . ?
P2 C28 C29 C32 -179.98(13) . . . . ?
C35 C28 C29 N4 179.87(14) . . . . ?
P2 C28 C29 N4 -0.8(2) . . . . ?
C28 C29 C32 C33 -0.1(3) . . . . ?
N4 C29 C32 C33 -179.36(16) . . . . ?
C29 C32 C33 C34 -0.1(3) . . . . ?
C32 C33 C34 C35 -0.2(3) . . . . ?
C33 C34 C35 C28 0.7(3) . . . . ?
C29 C28 C35 C34 -1.0(2) . . . . ?
P2 C28 C35 C34 179.67(13) . . . . ?
C16 C13 N1 C15 -30.0(2) . . . . ?
C12 C13 N1 C15 150.83(15) . . . . ?
C16 C13 N1 C14 92.61(19) . . . . ?
C12 C13 N1 C14 -86.59(17) . . . . ?
C16 C13 N1 Cu2 -153.39(14) . . . . ?
C12 C13 N1 Cu2 27.41(17) . . . . ?
C22 C21 N3 C27 -59.5(2) . . . . ?
C20 C21 N3 C27 119.76(17) . . . . ?
C22 C21 N3 C26 65.0(2) . . . . ?
C20 C21 N3 C26 -115.76(17) . . . . ?
C32 C29 N4 C30 -65.74(19) . . . . ?
C28 C29 N4 C30 115.04(16) . . . . ?
C32 C29 N4 C31 54.02(19) . . . . ?
C28 C29 N4 C31 -125.20(16) . . . . ?
C32 C29 N4 Cu1 179.01(13) . . . . ?
C28 C29 N4 Cu1 -0.21(18) . . . . ?
B10 B1 B2 B6 -37.02(12) . . . . ?
B5 B1 B2 B6 -98.33(14) . . . . ?
Cu2 B1 B2 B6 130.36(10) . . . . ?
Sn1 B1 B2 B6 -152.60(10) . . . . ?
B10 B1 B2 B7 0.06(17) . . . . ?
B6 B1 B2 B7 37.08(12) . . . . ?
B5 B1 B2 B7 -61.25(16) . . . . ?
Cu2 B1 B2 B7 167.44(13) . . . . ?
Sn1 B1 B2 B7 -115.52(11) . . . . ?
B10 B1 B2 B3 63.66(15) . . . . ?
B6 B1 B2 B3 100.68(13) . . . . ?
B5 B1 B2 B3 2.35(16) . . . . ?
Cu2 B1 B2 B3 -128.97(11) . . . . ?
Sn1 B1 B2 B3 -51.92(10) . . . . ?
B10 B1 B2 Cu2 -167.38(12) . . . . ?
B6 B1 B2 Cu2 -130.36(10) . . . . ?
B5 B1 B2 Cu2 131.32(12) . . . . ?
Sn1 B1 B2 Cu2 77.04(4) . . . . ?
B10 B1 B2 Cu1 135.51(14) . . . . ?
B6 B1 B2 Cu1 172.54(17) . . . . ?
B5 B1 B2 Cu1 74.21(18) . . . . ?
Cu2 B1 B2 Cu1 -57.11(13) . . . . ?
Sn1 B1 B2 Cu1 19.94(13) . . . . ?
B10 B1 B2 Sn1 115.58(11) . . . . ?
B6 B1 B2 Sn1 152.60(10) . . . . ?
B5 B1 B2 Sn1 54.27(10) . . . . ?
Cu2 B1 B2 Sn1 -77.04(4) . . . . ?
B6 B2 B3 B8 -0.21(17) . . . . ?
B7 B2 B3 B8 37.17(13) . . . . ?
B1 B2 B3 B8 -64.28(16) . . . . ?
Cu2 B2 B3 B8 -141.08(13) . . . . ?
Cu1 B2 B3 B8 163.77(13) . . . . ?
Sn1 B2 B3 B8 -116.22(12) . . . . ?
B6 B2 B3 B7 -37.38(12) . . . . ?
B1 B2 B3 B7 -101.45(13) . . . . ?
Cu2 B2 B3 B7 -178.25(16) . . . . ?
Cu1 B2 B3 B7 126.60(11) . . . . ?
Sn1 B2 B3 B7 -153.39(11) . . . . ?
B6 B2 B3 B4 62.01(16) . . . . ?
B7 B2 B3 B4 99.40(14) . . . . ?
B1 B2 B3 B4 -2.05(16) . . . . ?
Cu2 B2 B3 B4 -78.86(17) . . . . ?
Cu1 B2 B3 B4 -134.01(12) . . . . ?
Sn1 B2 B3 B4 -53.99(10) . . . . ?
B6 B2 B3 Cu1 -163.98(12) . . . . ?
B7 B2 B3 Cu1 -126.60(11) . . . . ?
B1 B2 B3 Cu1 131.95(11) . . . . ?
Cu2 B2 B3 Cu1 55.15(12) . . . . ?
Sn1 B2 B3 Cu1 80.01(4) . . . . ?
B6 B2 B3 Sn1 116.01(11) . . . . ?
B7 B2 B3 Sn1 153.39(11) . . . . ?
B1 B2 B3 Sn1 51.94(10) . . . . ?
Cu2 B2 B3 Sn1 -24.86(12) . . . . ?
Cu1 B2 B3 Sn1 -80.01(4) . . . . ?
B8 B3 B4 B9 38.42(13) . . . . ?
B7 B3 B4 B9 1.60(17) . . . . ?
B2 B3 B4 B9 -60.49(16) . . . . ?
Cu1 B3 B4 B9 -136.68(15) . . . . ?
Sn1 B3 B4 B9 -118.92(13) . . . . ?
B7 B3 B4 B8 -36.83(13) . . . . ?
B2 B3 B4 B8 -98.91(14) . . . . ?
Cu1 B3 B4 B8 -175.10(18) . . . . ?
Sn1 B3 B4 B8 -157.35(11) . . . . ?
B8 B3 B4 B5 99.86(14) . . . . ?
B7 B3 B4 B5 63.04(16) . . . . ?
B2 B3 B4 B5 0.95(17) . . . . ?
Cu1 B3 B4 B5 -75.24(19) . . . . ?
Sn1 B3 B4 B5 -57.48(10) . . . . ?
B8 B3 B4 Sn1 157.35(11) . . . . ?
B7 B3 B4 Sn1 120.52(11) . . . . ?
B2 B3 B4 Sn1 58.43(10) . . . . ?
Cu1 B3 B4 Sn1 -17.76(15) . . . . ?
B6 B1 B5 B10 36.67(12) . . . . ?
B2 B1 B5 B10 97.89(14) . . . . ?
Cu2 B1 B5 B10 168.84(18) . . . . ?
Sn1 B1 B5 B10 156.65(12) . . . . ?
B10 B1 B5 B9 -38.24(13) . . . . ?
B6 B1 B5 B9 -1.57(17) . . . . ?
B2 B1 B5 B9 59.64(16) . . . . ?
Cu2 B1 B5 B9 130.60(15) . . . . ?
Sn1 B1 B5 B9 118.40(12) . . . . ?
B10 B1 B5 B4 -99.63(15) . . . . ?
B6 B1 B5 B4 -62.96(16) . . . . ?
B2 B1 B5 B4 -1.74(17) . . . . ?
Cu2 B1 B5 B4 69.21(19) . . . . ?
Sn1 B1 B5 B4 57.02(10) . . . . ?
B10 B1 B5 Sn1 -156.65(12) . . . . ?
B6 B1 B5 Sn1 -119.97(11) . . . . ?
B2 B1 B5 Sn1 -58.76(10) . . . . ?
Cu2 B1 B5 Sn1 12.19(14) . . . . ?
B9 B4 B5 B10 37.83(13) . . . . ?
B8 B4 B5 B10 -0.11(16) . . . . ?
B3 B4 B5 B10 -61.85(16) . . . . ?
Sn1 B4 B5 B10 -122.03(12) . . . . ?
B8 B4 B5 B9 -37.94(13) . . . . ?
B3 B4 B5 B9 -99.69(15) . . . . ?
Sn1 B4 B5 B9 -159.87(12) . . . . ?
B9 B4 B5 B1 100.18(15) . . . . ?
B8 B4 B5 B1 62.23(16) . . . . ?
B3 B4 B5 B1 0.49(17) . . . . ?
Sn1 B4 B5 B1 -59.69(11) . . . . ?
B9 B4 B5 Sn1 159.87(12) . . . . ?
B8 B4 B5 Sn1 121.92(12) . . . . ?
B3 B4 B5 Sn1 60.18(10) . . . . ?
B7 B2 B6 B11 -36.98(13) . . . . ?
B1 B2 B6 B11 101.92(14) . . . . ?
B3 B2 B6 B11 0.25(17) . . . . ?
Cu2 B2 B6 B11 150.51(12) . . . . ?
Cu1 B2 B6 B11 -59.5(5) . . . . ?
Sn1 B2 B6 B11 72.69(16) . . . . ?
B7 B2 B6 B10 -101.06(15) . . . . ?
B1 B2 B6 B10 37.83(12) . . . . ?
B3 B2 B6 B10 -63.83(16) . . . . ?
Cu2 B2 B6 B10 86.43(14) . . . . ?
Cu1 B2 B6 B10 -123.6(4) . . . . ?
Sn1 B2 B6 B10 8.60(17) . . . . ?
B1 B2 B6 B7 138.89(13) . . . . ?
B3 B2 B6 B7 37.23(12) . . . . ?
Cu2 B2 B6 B7 -172.51(13) . . . . ?
Cu1 B2 B6 B7 -22.5(4) . . . . ?
Sn1 B2 B6 B7 109.66(13) . . . . ?
B7 B2 B6 B1 -138.89(13) . . . . ?
B3 B2 B6 B1 -101.66(13) . . . . ?
Cu2 B2 B6 B1 48.60(10) . . . . ?
Cu1 B2 B6 B1 -161.4(4) . . . . ?
Sn1 B2 B6 B1 -29.23(11) . . . . ?
B10 B1 B6 B11 36.65(13) . . . . ?
B2 B1 B6 B11 -100.99(14) . . . . ?
B5 B1 B6 B11 0.36(17) . . . . ?
Cu2 B1 B6 B11 -146.31(11) . . . . ?
Sn1 B1 B6 B11 -69.33(16) . . . . ?
B10 B1 B6 B2 137.64(14) . . . . ?
B5 B1 B6 B2 101.34(13) . . . . ?
Cu2 B1 B6 B2 -45.32(10) . . . . ?
Sn1 B1 B6 B2 31.65(12) . . . . ?
B2 B1 B6 B10 -137.64(14) . . . . ?
B5 B1 B6 B10 -36.29(12) . . . . ?
Cu2 B1 B6 B10 177.04(12) . . . . ?
Sn1 B1 B6 B10 -105.98(13) . . . . ?
B10 B1 B6 B7 100.39(14) . . . . ?
B2 B1 B6 B7 -37.24(12) . . . . ?
B5 B1 B6 B7 64.10(15) . . . . ?
Cu2 B1 B6 B7 -82.56(13) . . . . ?
Sn1 B1 B6 B7 -5.59(17) . . . . ?
B6 B2 B7 B11 36.78(13) . . . . ?
B1 B2 B7 B11 -0.41(17) . . . . ?
B3 B2 B7 B11 -101.54(14) . . . . ?
Cu2 B2 B7 B11 72.3(6) . . . . ?
Cu1 B2 B7 B11 -149.75(11) . . . . ?
Sn1 B2 B7 B11 -73.24(15) . . . . ?
B6 B2 B7 B8 100.87(15) . . . . ?
B1 B2 B7 B8 63.69(16) . . . . ?
B3 B2 B7 B8 -37.44(12) . . . . ?
Cu2 B2 B7 B8 136.4(5) . . . . ?
Cu1 B2 B7 B8 -85.66(13) . . . . ?
Sn1 B2 B7 B8 -9.14(17) . . . . ?
B1 B2 B7 B6 -37.19(12) . . . . ?
B3 B2 B7 B6 -138.31(13) . . . . ?
Cu2 B2 B7 B6 35.6(6) . . . . ?
Cu1 B2 B7 B6 173.47(12) . . . . ?
Sn1 B2 B7 B6 -110.01(12) . . . . ?
B6 B2 B7 B3 138.31(13) . . . . ?
B1 B2 B7 B3 101.13(13) . . . . ?
Cu2 B2 B7 B3 173.9(6) . . . . ?
Cu1 B2 B7 B3 -48.22(10) . . . . ?
Sn1 B2 B7 B3 28.30(11) . . . . ?
B2 B6 B7 B11 -138.65(14) . . . . ?
B10 B6 B7 B11 -37.44(13) . . . . ?
B1 B6 B7 B11 -100.93(14) . . . . ?
B11 B6 B7 B8 37.54(13) . . . . ?
B2 B6 B7 B8 -101.10(14) . . . . ?
B10 B6 B7 B8 0.10(17) . . . . ?
B1 B6 B7 B8 -63.39(16) . . . . ?
B11 B6 B7 B2 138.65(14) . . . . ?
B10 B6 B7 B2 101.20(14) . . . . ?
B1 B6 B7 B2 37.72(12) . . . . ?
B11 B6 B7 B3 100.59(15) . . . . ?
B2 B6 B7 B3 -38.05(12) . . . . ?
B10 B6 B7 B3 63.15(16) . . . . ?
B1 B6 B7 B3 -0.34(17) . . . . ?
B8 B3 B7 B11 -37.32(13) . . . . ?
B2 B3 B7 B11 100.63(14) . . . . ?
B4 B3 B7 B11 -0.80(17) . . . . ?
Cu1 B3 B7 B11 150.98(11) . . . . ?
Sn1 B3 B7 B11 69.58(16) . . . . ?
B2 B3 B7 B8 137.95(14) . . . . ?
B4 B3 B7 B8 36.52(13) . . . . ?
Cu1 B3 B7 B8 -171.70(13) . . . . ?
Sn1 B3 B7 B8 106.90(14) . . . . ?
B8 B3 B7 B2 -137.95(14) . . . . ?
B4 B3 B7 B2 -101.43(13) . . . . ?
Cu1 B3 B7 B2 50.35(10) . . . . ?
Sn1 B3 B7 B2 -31.05(12) . . . . ?
B8 B3 B7 B6 -100.64(14) . . . . ?
B2 B3 B7 B6 37.31(12) . . . . ?
B4 B3 B7 B6 -64.12(15) . . . . ?
Cu1 B3 B7 B6 87.67(13) . . . . ?
Sn1 B3 B7 B6 6.26(18) . . . . ?
B2 B3 B8 B7 -36.76(12) . . . . ?
B4 B3 B8 B7 -138.48(14) . . . . ?
Cu1 B3 B8 B7 29.6(4) . . . . ?
Sn1 B3 B8 B7 -114.97(13) . . . . ?
B7 B3 B8 B4 138.48(14) . . . . ?
B2 B3 B8 B4 101.72(14) . . . . ?
Cu1 B3 B8 B4 168.0(4) . . . . ?
Sn1 B3 B8 B4 23.52(12) . . . . ?
B7 B3 B8 B11 36.85(13) . . . . ?
B2 B3 B8 B11 0.09(18) . . . . ?
B4 B3 B8 B11 -101.64(15) . . . . ?
Cu1 B3 B8 B11 66.4(5) . . . . ?
Sn1 B3 B8 B11 -78.12(16) . . . . ?
B7 B3 B8 B9 100.33(15) . . . . ?
B2 B3 B8 B9 63.57(17) . . . . ?
B4 B3 B8 B9 -38.15(13) . . . . ?
Cu1 B3 B8 B9 129.9(4) . . . . ?
Sn1 B3 B8 B9 -14.63(18) . . . . ?
B11 B7 B8 B3 138.62(14) . . . . ?
B2 B7 B8 B3 38.28(12) . . . . ?
B6 B7 B8 B3 101.47(14) . . . . ?
B11 B7 B8 B4 99.83(16) . . . . ?
B2 B7 B8 B4 -0.52(18) . . . . ?
B6 B7 B8 B4 62.68(17) . . . . ?
B3 B7 B8 B4 -38.80(13) . . . . ?
B2 B7 B8 B11 -100.34(15) . . . . ?
B6 B7 B8 B11 -37.15(13) . . . . ?
B3 B7 B8 B11 -138.62(14) . . . . ?
B11 B7 B8 B9 36.78(13) . . . . ?
B2 B7 B8 B9 -63.57(17) . . . . ?
B6 B7 B8 B9 -0.37(18) . . . . ?
B3 B7 B8 B9 -101.85(15) . . . . ?
B9 B4 B8 B3 -137.07(14) . . . . ?
B5 B4 B8 B3 -100.17(13) . . . . ?
Sn1 B4 B8 B3 -26.60(13) . . . . ?
B9 B4 B8 B7 -98.89(15) . . . . ?
B3 B4 B8 B7 38.18(13) . . . . ?
B5 B4 B8 B7 -61.99(17) . . . . ?
Sn1 B4 B8 B7 11.6(2) . . . . ?
B9 B4 B8 B11 -35.49(13) . . . . ?
B3 B4 B8 B11 101.58(14) . . . . ?
B5 B4 B8 B11 1.41(17) . . . . ?
Sn1 B4 B8 B11 74.97(17) . . . . ?
B3 B4 B8 B9 137.07(14) . . . . ?
B5 B4 B8 B9 36.90(12) . . . . ?
Sn1 B4 B8 B9 110.47(15) . . . . ?
B8 B4 B9 B5 137.66(14) . . . . ?
B3 B4 B9 B5 100.17(14) . . . . ?
Sn1 B4 B9 B5 21.97(13) . . . . ?
B8 B4 B9 B11 35.69(14) . . . . ?
B3 B4 B9 B11 -1.79(18) . . . . ?
B5 B4 B9 B11 -101.97(15) . . . . ?
Sn1 B4 B9 B11 -80.00(17) . . . . ?
B8 B4 B9 B10 99.57(16) . . . . ?
B3 B4 B9 B10 62.08(18) . . . . ?
B5 B4 B9 B10 -38.09(13) . . . . ?
Sn1 B4 B9 B10 -16.1(2) . . . . ?
B3 B4 B9 B8 -37.49(12) . . . . ?
B5 B4 B9 B8 -137.66(14) . . . . ?
Sn1 B4 B9 B8 -115.69(14) . . . . ?
B10 B5 B9 B4 -137.80(14) . . . . ?
B1 B5 B9 B4 -100.28(14) . . . . ?
Sn1 B5 B9 B4 -21.87(12) . . . . ?
B10 B5 B9 B11 -35.32(13) . . . . ?
B1 B5 B9 B11 2.20(18) . . . . ?
B4 B5 B9 B11 102.48(15) . . . . ?
Sn1 B5 B9 B11 80.61(16) . . . . ?
B1 B5 B9 B10 37.52(12) . . . . ?
B4 B5 B9 B10 137.80(14) . . . . ?
Sn1 B5 B9 B10 115.93(14) . . . . ?
B10 B5 B9 B8 -99.35(15) . . . . ?
B1 B5 B9 B8 -61.83(17) . . . . ?
B4 B5 B9 B8 38.45(13) . . . . ?
Sn1 B5 B9 B8 16.58(19) . . . . ?
B3 B8 B9 B4 39.49(13) . . . . ?
B7 B8 B9 B4 103.86(14) . . . . ?
B11 B8 B9 B4 140.44(14) . . . . ?
B3 B8 B9 B5 -0.46(19) . . . . ?
B7 B8 B9 B5 63.91(17) . . . . ?
B4 B8 B9 B5 -39.95(13) . . . . ?
B11 B8 B9 B5 100.49(15) . . . . ?
B3 B8 B9 B11 -100.95(15) . . . . ?
B7 B8 B9 B11 -36.58(13) . . . . ?
B4 B8 B9 B11 -140.44(14) . . . . ?
B3 B8 B9 B10 -63.87(18) . . . . ?
B7 B8 B9 B10 0.50(18) . . . . ?
B4 B8 B9 B10 -103.36(15) . . . . ?
B11 B8 B9 B10 37.08(13) . . . . ?
B9 B5 B10 B6 98.94(15) . . . . ?
B1 B5 B10 B6 -38.56(13) . . . . ?
B4 B5 B10 B6 62.29(17) . . . . ?
Sn1 B5 B10 B6 -11.1(2) . . . . ?
B9 B5 B10 B11 35.42(13) . . . . ?
B1 B5 B10 B11 -102.08(14) . . . . ?
B4 B5 B10 B11 -1.23(17) . . . . ?
Sn1 B5 B10 B11 -74.62(17) . . . . ?
B9 B5 B10 B1 137.51(14) . . . . ?
B4 B5 B10 B1 100.85(13) . . . . ?
Sn1 B5 B10 B1 27.46(14) . . . . ?
B1 B5 B10 B9 -137.51(14) . . . . ?
B4 B5 B10 B9 -36.65(12) . . . . ?
Sn1 B5 B10 B9 -110.04(15) . . . . ?
B11 B6 B10 B5 -100.36(15) . . . . ?
B2 B6 B10 B5 0.61(19) . . . . ?
B7 B6 B10 B5 -63.19(17) . . . . ?
B1 B6 B10 B5 39.14(13) . . . . ?
B2 B6 B10 B11 100.97(14) . . . . ?
B7 B6 B10 B11 37.16(13) . . . . ?
B1 B6 B10 B11 139.50(14) . . . . ?
B11 B6 B10 B1 -139.50(14) . . . . ?
B2 B6 B10 B1 -38.54(12) . . . . ?
B7 B6 B10 B1 -102.34(14) . . . . ?
B11 B6 B10 B9 -36.95(13) . . . . ?
B2 B6 B10 B9 64.01(17) . . . . ?
B7 B6 B10 B9 0.21(17) . . . . ?
B1 B6 B10 B9 102.55(14) . . . . ?
B6 B1 B10 B5 -138.16(14) . . . . ?
B2 B1 B10 B5 -101.60(13) . . . . ?
Cu2 B1 B10 B5 -148.9(5) . . . . ?
Sn1 B1 B10 B5 -24.05(12) . . . . ?
B2 B1 B10 B6 36.56(12) . . . . ?
B5 B1 B10 B6 138.16(14) . . . . ?
Cu2 B1 B10 B6 -10.7(5) . . . . ?
Sn1 B1 B10 B6 114.11(13) . . . . ?
B6 B1 B10 B11 -36.25(13) . . . . ?
B2 B1 B10 B11 0.31(17) . . . . ?
B5 B1 B10 B11 101.91(15) . . . . ?
Cu2 B1 B10 B11 -47.0(5) . . . . ?
Sn1 B1 B10 B11 77.87(15) . . . . ?
B6 B1 B10 B9 -100.08(15) . . . . ?
B2 B1 B10 B9 -63.52(16) . . . . ?
B5 B1 B10 B9 38.08(13) . . . . ?
Cu2 B1 B10 B9 -110.8(4) . . . . ?
Sn1 B1 B10 B9 14.03(18) . . . . ?
B4 B9 B10 B5 39.76(14) . . . . ?
B11 B9 B10 B5 140.69(14) . . . . ?
B8 B9 B10 B5 103.54(15) . . . . ?
B4 B9 B10 B6 -64.22(18) . . . . ?
B5 B9 B10 B6 -103.98(14) . . . . ?
B11 B9 B10 B6 36.72(13) . . . . ?
B8 B9 B10 B6 -0.44(18) . . . . ?
B4 B9 B10 B11 -100.94(16) . . . . ?
B5 B9 B10 B11 -140.69(14) . . . . ?
B8 B9 B10 B11 -37.16(13) . . . . ?
B4 B9 B10 B1 0.5(2) . . . . ?
B5 B9 B10 B1 -39.30(13) . . . . ?
B11 B9 B10 B1 101.39(15) . . . . ?
B8 B9 B10 B1 64.23(18) . . . . ?
B2 B6 B11 B7 37.13(13) . . . . ?
B10 B6 B11 B7 138.47(14) . . . . ?
B1 B6 B11 B7 102.15(14) . . . . ?
B2 B6 B11 B10 -101.34(14) . . . . ?
B7 B6 B11 B10 -138.47(14) . . . . ?
B1 B6 B11 B10 -36.32(13) . . . . ?
B2 B6 B11 B9 -64.04(17) . . . . ?
B10 B6 B11 B9 37.30(13) . . . . ?
B7 B6 B11 B9 -101.17(15) . . . . ?
B1 B6 B11 B9 0.98(18) . . . . ?
B2 B6 B11 B8 -0.20(19) . . . . ?
B10 B6 B11 B8 101.14(16) . . . . ?
B7 B6 B11 B8 -37.33(13) . . . . ?
B1 B6 B11 B8 64.82(17) . . . . ?
B8 B7 B11 B6 -138.39(14) . . . . ?
B2 B7 B11 B6 -36.75(13) . . . . ?
B3 B7 B11 B6 -101.58(14) . . . . ?
B8 B7 B11 B10 -101.04(15) . . . . ?
B2 B7 B11 B10 0.60(18) . . . . ?
B6 B7 B11 B10 37.35(13) . . . . ?
B3 B7 B11 B10 -64.23(17) . . . . ?
B8 B7 B11 B9 -37.10(14) . . . . ?
B2 B7 B11 B9 64.54(17) . . . . ?
B6 B7 B11 B9 101.29(15) . . . . ?
B3 B7 B11 B9 -0.29(18) . . . . ?
B2 B7 B11 B8 101.64(14) . . . . ?
B6 B7 B11 B8 138.39(14) . . . . ?
B3 B7 B11 B8 36.81(13) . . . . ?
B5 B10 B11 B6 103.29(14) . . . . ?
B1 B10 B11 B6 36.93(13) . . . . ?
B9 B10 B11 B6 138.57(14) . . . . ?
B5 B10 B11 B7 65.79(17) . . . . ?
B6 B10 B11 B7 -37.50(13) . . . . ?
B1 B10 B11 B7 -0.57(19) . . . . ?
B9 B10 B11 B7 101.07(15) . . . . ?
B5 B10 B11 B9 -35.27(13) . . . . ?
B6 B10 B11 B9 -138.57(14) . . . . ?
B1 B10 B11 B9 -101.64(14) . . . . ?
B5 B10 B11 B8 2.13(18) . . . . ?
B6 B10 B11 B8 -101.17(14) . . . . ?
B1 B10 B11 B8 -64.24(17) . . . . ?
B9 B10 B11 B8 37.40(13) . . . . ?
B4 B9 B11 B6 65.46(18) . . . . ?
B5 B9 B11 B6 -2.00(18) . . . . ?
B10 B9 B11 B6 -37.24(13) . . . . ?
B8 B9 B11 B6 101.16(14) . . . . ?
B4 B9 B11 B7 1.32(19) . . . . ?
B5 B9 B11 B7 -66.14(18) . . . . ?
B10 B9 B11 B7 -101.37(15) . . . . ?
B8 B9 B11 B7 37.02(13) . . . . ?
B4 B9 B11 B10 102.70(15) . . . . ?
B5 B9 B11 B10 35.24(13) . . . . ?
B8 B9 B11 B10 138.40(14) . . . . ?
B4 B9 B11 B8 -35.70(13) . . . . ?
B5 B9 B11 B8 -103.16(15) . . . . ?
B10 B9 B11 B8 -138.40(14) . . . . ?
B3 B8 B11 B6 0.07(19) . . . . ?
B7 B8 B11 B6 37.53(13) . . . . ?
B4 B8 B11 B6 -65.95(17) . . . . ?
B9 B8 B11 B6 -101.20(16) . . . . ?
B3 B8 B11 B7 -37.46(13) . . . . ?
B4 B8 B11 B7 -103.49(14) . . . . ?
B9 B8 B11 B7 -138.73(14) . . . . ?
B3 B8 B11 B10 63.83(17) . . . . ?
B7 B8 B11 B10 101.30(14) . . . . ?
B4 B8 B11 B10 -2.19(18) . . . . ?
B9 B8 B11 B10 -37.44(13) . . . . ?
B3 B8 B11 B9 101.27(15) . . . . ?
B7 B8 B11 B9 138.73(14) . . . . ?
B4 B8 B11 B9 35.25(13) . . . . ?
C19 C12 P1 C1 28.76(16) . . . . ?
C13 C12 P1 C1 -151.51(12) . . . . ?
C19 C12 P1 C3 -79.03(15) . . . . ?
C13 C12 P1 C3 100.69(13) . . . . ?
C19 C12 P1 Cu2 152.58(13) . . . . ?
C13 C12 P1 Cu2 -27.69(13) . . . . ?
P2 C1 P1 C12 76.72(10) . . . . ?
P2 C1 P1 C3 -175.74(9) . . . . ?
P2 C1 P1 Cu2 -32.66(11) . . . . ?
C8 C3 P1 C12 -1.28(16) . . . . ?
C4 C3 P1 C12 -178.24(13) . . . . ?
C8 C3 P1 C1 -112.07(15) . . . . ?
C4 C3 P1 C1 70.97(14) . . . . ?
C8 C3 P1 Cu2 107.61(14) . . . . ?
C4 C3 P1 Cu2 -69.34(14) . . . . ?
C35 C28 P2 C20 48.94(15) . . . . ?
C29 C28 P2 C20 -130.42(13) . . . . ?
C35 C28 P2 C1 -58.04(15) . . . . ?
C29 C28 P2 C1 122.60(13) . . . . ?
C35 C28 P2 Cu1 -179.37(12) . . . . ?
C29 C28 P2 Cu1 1.26(13) . . . . ?
C25 C20 P2 C28 -115.20(15) . . . . ?
C21 C20 P2 C28 69.62(14) . . . . ?
C25 C20 P2 C1 -4.63(16) . . . . ?
C21 C20 P2 C1 -179.82(13) . . . . ?
C25 C20 P2 Cu1 128.64(13) . . . . ?
C21 C20 P2 Cu1 -46.54(15) . . . . ?
P1 C1 P2 C28 -89.58(10) . . . . ?
P1 C1 P2 C20 160.68(9) . . . . ?
P1 C1 P2 Cu1 21.96(11) . . . . ?
C28 P2 Cu1 B3 -154.90(11) . . . . ?
C20 P2 Cu1 B3 -36.92(12) . . . . ?
C1 P2 Cu1 B3 90.65(12) . . . . ?
C28 P2 Cu1 N4 -0.98(6) . . . . ?
C20 P2 Cu1 N4 117.00(7) . . . . ?
C1 P2 Cu1 N4 -115.43(7) . . . . ?
C28 P2 Cu1 B2 111.47(9) . . . . ?
C20 P2 Cu1 B2 -130.54(10) . . . . ?
C1 P2 Cu1 B2 -2.98(10) . . . . ?
C28 P2 Cu1 Sn1 165.83(5) . . . . ?
C20 P2 Cu1 Sn1 -76.19(7) . . . . ?
C1 P2 Cu1 Sn1 51.38(6) . . . . ?
C28 P2 Cu1 Cu2 109.16(5) . . . . ?
C20 P2 Cu1 Cu2 -132.85(7) . . . . ?
C1 P2 Cu1 Cu2 -5.29(6) . . . . ?
B8 B3 Cu1 P2 164.3(4) . . . . ?
B7 B3 Cu1 P2 -169.44(7) . . . . ?
B2 B3 Cu1 P2 -123.89(10) . . . . ?
B4 B3 Cu1 P2 -30.8(2) . . . . ?
Sn1 B3 Cu1 P2 -47.40(11) . . . . ?
B8 B3 Cu1 N4 14.3(5) . . . . ?
B7 B3 Cu1 N4 40.54(12) . . . . ?
B2 B3 Cu1 N4 86.08(9) . . . . ?
B4 B3 Cu1 N4 179.19(15) . . . . ?
Sn1 B3 Cu1 N4 162.58(4) . . . . ?
B8 B3 Cu1 B2 -71.8(4) . . . . ?
B7 B3 Cu1 B2 -45.54(10) . . . . ?
B4 B3 Cu1 B2 93.11(18) . . . . ?
Sn1 B3 Cu1 B2 76.50(8) . . . . ?
B8 B3 Cu1 Sn1 -148.3(5) . . . . ?
B7 B3 Cu1 Sn1 -122.04(11) . . . . ?
B2 B3 Cu1 Sn1 -76.50(8) . . . . ?
B4 B3 Cu1 Sn1 16.61(14) . . . . ?
B8 B3 Cu1 Cu2 -98.3(4) . . . . ?
B7 B3 Cu1 Cu2 -72.01(10) . . . . ?
B2 B3 Cu1 Cu2 -26.47(7) . . . . ?
B4 B3 Cu1 Cu2 66.64(16) . . . . ?
Sn1 B3 Cu1 Cu2 50.03(3) . . . . ?
C29 N4 Cu1 P2 0.81(10) . . . . ?
C30 N4 Cu1 P2 -118.01(10) . . . . ?
C31 N4 Cu1 P2 124.29(11) . . . . ?
C29 N4 Cu1 B3 166.65(10) . . . . ?
C30 N4 Cu1 B3 47.83(12) . . . . ?
C31 N4 Cu1 B3 -69.87(13) . . . . ?
C29 N4 Cu1 B2 -142.49(10) . . . . ?
C30 N4 Cu1 B2 98.68(11) . . . . ?
C31 N4 Cu1 B2 -19.02(12) . . . . ?
C29 N4 Cu1 Sn1 -122.16(13) . . . . ?
C30 N4 Cu1 Sn1 119.01(14) . . . . ?
C31 N4 Cu1 Sn1 1.3(2) . . . . ?
C29 N4 Cu1 Cu2 -93.18(10) . . . . ?
C30 N4 Cu1 Cu2 147.99(9) . . . . ?
C31 N4 Cu1 Cu2 30.29(11) . . . . ?
B6 B2 Cu1 P2 -154.9(4) . . . . ?
B7 B2 Cu1 P2 -174.99(7) . . . . ?
B1 B2 Cu1 P2 48.22(19) . . . . ?
B3 B2 Cu1 P2 139.27(8) . . . . ?
Cu2 B2 Cu1 P2 -3.15(10) . . . . ?
Sn1 B2 Cu1 P2 67.44(7) . . . . ?
B6 B2 Cu1 B3 65.8(4) . . . . ?
B7 B2 Cu1 B3 45.74(11) . . . . ?
B1 B2 Cu1 B3 -91.05(17) . . . . ?
Cu2 B2 Cu1 B3 -142.43(10) . . . . ?
Sn1 B2 Cu1 B3 -71.84(8) . . . . ?
B6 B2 Cu1 N4 -48.5(4) . . . . ?
B7 B2 Cu1 N4 -68.59(11) . . . . ?
B1 B2 Cu1 N4 154.62(14) . . . . ?
B3 B2 Cu1 N4 -114.33(8) . . . . ?
Cu2 B2 Cu1 N4 103.24(6) . . . . ?
Sn1 B2 Cu1 N4 173.83(4) . . . . ?
B6 B2 Cu1 Sn1 137.7(4) . . . . ?
B7 B2 Cu1 Sn1 117.58(11) . . . . ?
B1 B2 Cu1 Sn1 -19.21(13) . . . . ?
B3 B2 Cu1 Sn1 71.84(8) . . . . ?
Cu2 B2 Cu1 Sn1 -70.59(4) . . . . ?
B6 B2 Cu1 Cu2 -151.8(4) . . . . ?
B7 B2 Cu1 Cu2 -171.83(13) . . . . ?
B1 B2 Cu1 Cu2 51.38(13) . . . . ?
B3 B2 Cu1 Cu2 142.43(10) . . . . ?
Sn1 B2 Cu1 Cu2 70.59(4) . . . . ?
B6 B2 Cu2 P1 162.17(8) . . . . ?
B7 B2 Cu2 P1 129.8(5) . . . . ?
B1 B2 Cu2 P1 -153.08(7) . . . . ?
B3 B2 Cu2 P1 -57.40(17) . . . . ?
Cu1 B2 Cu2 P1 -9.52(9) . . . . ?
Sn1 B2 Cu2 P1 -81.55(6) . . . . ?
B6 B2 Cu2 N1 59.55(12) . . . . ?
B7 B2 Cu2 N1 27.1(6) . . . . ?
B1 B2 Cu2 N1 104.29(8) . . . . ?
B3 B2 Cu2 N1 -160.03(13) . . . . ?
Cu1 B2 Cu2 N1 -112.15(5) . . . . ?
Sn1 B2 Cu2 N1 175.82(4) . . . . ?
B6 B2 Cu2 B1 -44.75(11) . . . . ?
B7 B2 Cu2 B1 -77.2(6) . . . . ?
B3 B2 Cu2 B1 95.68(16) . . . . ?
Cu1 B2 Cu2 B1 143.56(10) . . . . ?
Sn1 B2 Cu2 B1 71.53(7) . . . . ?
B6 B2 Cu2 Sn1 -116.28(11) . . . . ?
B7 B2 Cu2 Sn1 -148.7(6) . . . . ?
B1 B2 Cu2 Sn1 -71.53(7) . . . . ?
B3 B2 Cu2 Sn1 24.15(12) . . . . ?
Cu1 B2 Cu2 Sn1 72.03(4) . . . . ?
B6 B2 Cu2 Cu1 171.69(14) . . . . ?
B7 B2 Cu2 Cu1 139.3(6) . . . . ?
B1 B2 Cu2 Cu1 -143.56(10) . . . . ?
B3 B2 Cu2 Cu1 -47.88(12) . . . . ?
Sn1 B2 Cu2 Cu1 -72.03(4) . . . . ?
C12 P1 Cu2 B2 -84.39(8) . . . . ?
C1 P1 Cu2 B2 29.91(9) . . . . ?
C3 P1 Cu2 B2 164.39(9) . . . . ?
C12 P1 Cu2 N1 30.14(6) . . . . ?
C1 P1 Cu2 N1 144.44(7) . . . . ?
C3 P1 Cu2 N1 -81.08(8) . . . . ?
C12 P1 Cu2 B1 -174.34(15) . . . . ?
C1 P1 Cu2 B1 -60.04(16) . . . . ?
C3 P1 Cu2 B1 74.44(16) . . . . ?
C12 P1 Cu2 Sn1 -148.14(5) . . . . ?
C1 P1 Cu2 Sn1 -33.84(6) . . . . ?
C3 P1 Cu2 Sn1 100.64(7) . . . . ?
C12 P1 Cu2 Cu1 -91.47(5) . . . . ?
C1 P1 Cu2 Cu1 22.83(6) . . . . ?
C3 P1 Cu2 Cu1 157.31(7) . . . . ?
C13 N1 Cu2 B2 100.84(11) . . . . ?
C15 N1 Cu2 B2 -23.48(13) . . . . ?
C14 N1 Cu2 B2 -141.39(10) . . . . ?
C13 N1 Cu2 P1 -35.36(10) . . . . ?
C15 N1 Cu2 P1 -159.68(11) . . . . ?
C14 N1 Cu2 P1 82.41(10) . . . . ?
C13 N1 Cu2 B1 153.49(10) . . . . ?
C15 N1 Cu2 B1 29.17(13) . . . . ?
C14 N1 Cu2 B1 -88.74(11) . . . . ?
C13 N1 Cu2 Sn1 131.3(3) . . . . ?
C15 N1 Cu2 Sn1 7.0(4) . . . . ?
C14 N1 Cu2 Sn1 -110.9(3) . . . . ?
C13 N1 Cu2 Cu1 47.35(11) . . . . ?
C15 N1 Cu2 Cu1 -76.97(11) . . . . ?
C14 N1 Cu2 Cu1 165.12(8) . . . . ?
B10 B1 Cu2 B2 51.8(4) . . . . ?
B6 B1 Cu2 B2 42.25(10) . . . . ?
B5 B1 Cu2 B2 -90.15(17) . . . . ?
Sn1 B1 Cu2 B2 -78.52(8) . . . . ?
B10 B1 Cu2 P1 160.5(4) . . . . ?
B6 B1 Cu2 P1 150.97(11) . . . . ?
B2 B1 Cu2 P1 108.72(15) . . . . ?
B5 B1 Cu2 P1 18.6(3) . . . . ?
Sn1 B1 Cu2 P1 30.20(16) . . . . ?
B10 B1 Cu2 N1 -46.5(5) . . . . ?
B6 B1 Cu2 N1 -56.02(11) . . . . ?
B2 B1 Cu2 N1 -98.27(9) . . . . ?
B5 B1 Cu2 N1 171.58(14) . . . . ?
Sn1 B1 Cu2 N1 -176.79(4) . . . . ?
B10 B1 Cu2 Sn1 130.3(5) . . . . ?
B6 B1 Cu2 Sn1 120.77(11) . . . . ?
B2 B1 Cu2 Sn1 78.52(8) . . . . ?
B5 B1 Cu2 Sn1 -11.63(13) . . . . ?
B10 B1 Cu2 Cu1 78.0(5) . . . . ?
B6 B1 Cu2 Cu1 68.50(10) . . . . ?
B2 B1 Cu2 Cu1 26.24(7) . . . . ?
B5 B1 Cu2 Cu1 -63.91(16) . . . . ?
Sn1 B1 Cu2 Cu1 -52.28(3) . . . . ?
P2 Cu1 Cu2 B2 178.03(6) . . . . ?
B3 Cu1 Cu2 B2 27.15(8) . . . . ?
N4 Cu1 Cu2 B2 -92.92(7) . . . . ?
Sn1 Cu1 Cu2 B2 78.14(6) . . . . ?
P2 Cu1 Cu2 P1 -8.655(16) . . . . ?
B3 Cu1 Cu2 P1 -159.54(5) . . . . ?
N4 Cu1 Cu2 P1 80.39(4) . . . . ?
B2 Cu1 Cu2 P1 173.31(6) . . . . ?
Sn1 Cu1 Cu2 P1 -108.546(13) . . . . ?
P2 Cu1 Cu2 N1 -88.56(4) . . . . ?
B3 Cu1 Cu2 N1 120.56(6) . . . . ?
N4 Cu1 Cu2 N1 0.49(6) . . . . ?
B2 Cu1 Cu2 N1 93.41(7) . . . . ?
Sn1 Cu1 Cu2 N1 171.55(4) . . . . ?
P2 Cu1 Cu2 B1 151.86(5) . . . . ?
B3 Cu1 Cu2 B1 0.97(7) . . . . ?
N4 Cu1 Cu2 B1 -119.10(6) . . . . ?
B2 Cu1 Cu2 B1 -26.18(8) . . . . ?
Sn1 Cu1 Cu2 B1 51.97(5) . . . . ?
P2 Cu1 Cu2 Sn1 99.891(13) . . . . ?
B3 Cu1 Cu2 Sn1 -50.99(5) . . . . ?
N4 Cu1 Cu2 Sn1 -171.06(4) . . . . ?
B2 Cu1 Cu2 Sn1 -78.14(6) . . . . ?
B9 B4 Sn1 B5 -20.26(12) . . . . ?
B8 B4 Sn1 B5 -95.15(16) . . . . ?
B3 B4 Sn1 B5 -118.98(12) . . . . ?
B9 B4 Sn1 B3 98.72(16) . . . . ?
B8 B4 Sn1 B3 23.83(12) . . . . ?
B5 B4 Sn1 B3 118.98(12) . . . . ?
B9 B4 Sn1 B1 18.57(13) . . . . ?
B8 B4 Sn1 B1 -56.32(14) . . . . ?
B3 B4 Sn1 B1 -80.15(9) . . . . ?
B5 B4 Sn1 B1 38.83(9) . . . . ?
B9 B4 Sn1 B2 62.20(14) . . . . ?
B8 B4 Sn1 B2 -12.68(13) . . . . ?
B3 B4 Sn1 B2 -36.52(8) . . . . ?
B5 B4 Sn1 B2 82.47(9) . . . . ?
B9 B4 Sn1 Cu2 45.93(15) . . . . ?
B8 B4 Sn1 Cu2 -28.96(16) . . . . ?
B3 B4 Sn1 Cu2 -52.79(9) . . . . ?
B5 B4 Sn1 Cu2 66.19(9) . . . . ?
B9 B4 Sn1 Cu1 108.01(14) . . . . ?
B8 B4 Sn1 Cu1 33.13(14) . . . . ?
B3 B4 Sn1 Cu1 9.29(8) . . . . ?
B5 B4 Sn1 Cu1 128.28(8) . . . . ?
B10 B5 Sn1 B4 94.94(17) . . . . ?
B9 B5 Sn1 B4 20.13(12) . . . . ?
B1 B5 Sn1 B4 119.69(12) . . . . ?
B10 B5 Sn1 B3 55.79(14) . . . . ?
B9 B5 Sn1 B3 -19.02(13) . . . . ?
B1 B5 Sn1 B3 80.54(9) . . . . ?
B4 B5 Sn1 B3 -39.15(9) . . . . ?
B10 B5 Sn1 B1 -24.74(13) . . . . ?
B9 B5 Sn1 B1 -99.56(16) . . . . ?
B4 B5 Sn1 B1 -119.69(12) . . . . ?
B10 B5 Sn1 B2 12.07(14) . . . . ?
B9 B5 Sn1 B2 -62.74(13) . . . . ?
B1 B5 Sn1 B2 36.81(9) . . . . ?
B4 B5 Sn1 B2 -82.87(9) . . . . ?
B10 B5 Sn1 Cu2 -31.90(15) . . . . ?
B9 B5 Sn1 Cu2 -106.71(13) . . . . ?
B1 B5 Sn1 Cu2 -7.16(8) . . . . ?
B4 B5 Sn1 Cu2 -126.84(8) . . . . ?
B10 B5 Sn1 Cu1 32.37(16) . . . . ?
B9 B5 Sn1 Cu1 -42.44(14) . . . . ?
B1 B5 Sn1 Cu1 57.12(9) . . . . ?
B4 B5 Sn1 Cu1 -62.57(9) . . . . ?
B8 B3 Sn1 B4 -22.30(12) . . . . ?
B7 B3 Sn1 B4 -93.98(15) . . . . ?
B2 B3 Sn1 B4 -121.66(12) . . . . ?
Cu1 B3 Sn1 B4 167.49(11) . . . . ?
B8 B3 Sn1 B5 18.37(12) . . . . ?
B7 B3 Sn1 B5 -53.32(13) . . . . ?
B2 B3 Sn1 B5 -81.00(9) . . . . ?
B4 B3 Sn1 B5 40.66(9) . . . . ?
Cu1 B3 Sn1 B5 -151.85(7) . . . . ?
B8 B3 Sn1 B1 64.55(12) . . . . ?
B7 B3 Sn1 B1 -7.14(12) . . . . ?
B2 B3 Sn1 B1 -34.82(8) . . . . ?
B4 B3 Sn1 B1 86.84(9) . . . . ?
Cu1 B3 Sn1 B1 -105.67(6) . . . . ?
B8 B3 Sn1 B2 99.37(15) . . . . ?
B7 B3 Sn1 B2 27.68(11) . . . . ?
B4 B3 Sn1 B2 121.66(12) . . . . ?
Cu1 B3 Sn1 B2 -70.85(8) . . . . ?
B8 B3 Sn1 Cu2 113.75(12) . . . . ?
B7 B3 Sn1 Cu2 42.06(12) . . . . ?
B2 B3 Sn1 Cu2 14.38(7) . . . . ?
B4 B3 Sn1 Cu2 136.04(8) . . . . ?
Cu1 B3 Sn1 Cu2 -56.47(4) . . . . ?
B8 B3 Sn1 Cu1 170.22(15) . . . . ?
B7 B3 Sn1 Cu1 98.53(13) . . . . ?
B2 B3 Sn1 Cu1 70.85(8) . . . . ?
B4 B3 Sn1 Cu1 -167.49(11) . . . . ?
B10 B1 Sn1 B4 -17.59(12) . . . . ?
B6 B1 Sn1 B4 52.81(12) . . . . ?
B2 B1 Sn1 B4 80.84(9) . . . . ?
B5 B1 Sn1 B4 -40.24(10) . . . . ?
Cu2 B1 Sn1 B4 148.96(7) . . . . ?
B10 B1 Sn1 B5 22.64(12) . . . . ?
B6 B1 Sn1 B5 93.04(15) . . . . ?
B2 B1 Sn1 B5 121.07(12) . . . . ?
Cu2 B1 Sn1 B5 -170.80(11) . . . . ?
B10 B1 Sn1 B3 -63.60(12) . . . . ?
B6 B1 Sn1 B3 6.80(12) . . . . ?
B2 B1 Sn1 B3 34.83(8) . . . . ?
B5 B1 Sn1 B3 -86.24(9) . . . . ?
Cu2 B1 Sn1 B3 102.96(6) . . . . ?
B10 B1 Sn1 B2 -98.43(15) . . . . ?
B6 B1 Sn1 B2 -28.03(11) . . . . ?
B5 B1 Sn1 B2 -121.07(12) . . . . ?
Cu2 B1 Sn1 B2 68.12(7) . . . . ?
B10 B1 Sn1 Cu2 -166.55(15) . . . . ?
B6 B1 Sn1 Cu2 -96.15(12) . . . . ?
B2 B1 Sn1 Cu2 -68.12(7) . . . . ?
B5 B1 Sn1 Cu2 170.80(11) . . . . ?
B10 B1 Sn1 Cu1 -109.42(12) . . . . ?
B6 B1 Sn1 Cu1 -39.02(12) . . . . ?
B2 B1 Sn1 Cu1 -10.99(7) . . . . ?
B5 B1 Sn1 Cu1 -132.06(8) . . . . ?
Cu2 B1 Sn1 Cu1 57.13(4) . . . . ?
B6 B2 Sn1 B4 -59.35(12) . . . . ?
B7 B2 Sn1 B4 11.70(12) . . . . ?
B1 B2 Sn1 B4 -87.03(9) . . . . ?
B3 B2 Sn1 B4 38.34(9) . . . . ?
Cu2 B2 Sn1 B4 -161.00(7) . . . . ?
Cu1 B2 Sn1 B4 107.66(6) . . . . ?
B6 B2 Sn1 B5 -11.08(12) . . . . ?
B7 B2 Sn1 B5 59.98(12) . . . . ?
B1 B2 Sn1 B5 -38.75(9) . . . . ?
B3 B2 Sn1 B5 86.61(9) . . . . ?
Cu2 B2 Sn1 B5 -112.72(7) . . . . ?
Cu1 B2 Sn1 B5 155.93(7) . . . . ?
B6 B2 Sn1 B3 -97.69(14) . . . . ?
B7 B2 Sn1 B3 -26.64(11) . . . . ?
B1 B2 Sn1 B3 -125.37(12) . . . . ?
Cu2 B2 Sn1 B3 160.66(10) . . . . ?
Cu1 B2 Sn1 B3 69.32(8) . . . . ?
B6 B2 Sn1 B1 27.67(11) . . . . ?
B7 B2 Sn1 B1 98.73(14) . . . . ?
B3 B2 Sn1 B1 125.37(12) . . . . ?
Cu2 B2 Sn1 B1 -73.97(8) . . . . ?
Cu1 B2 Sn1 B1 -165.32(10) . . . . ?
B6 B2 Sn1 Cu2 101.64(13) . . . . ?
B7 B2 Sn1 Cu2 172.70(14) . . . . ?
B1 B2 Sn1 Cu2 73.97(8) . . . . ?
B3 B2 Sn1 Cu2 -160.66(10) . . . . ?
Cu1 B2 Sn1 Cu2 -91.34(5) . . . . ?
B6 B2 Sn1 Cu1 -167.01(14) . . . . ?
B7 B2 Sn1 Cu1 -95.95(12) . . . . ?
B1 B2 Sn1 Cu1 165.32(10) . . . . ?
B3 B2 Sn1 Cu1 -69.32(8) . . . . ?
Cu2 B2 Sn1 Cu1 91.34(5) . . . . ?
B2 Cu2 Sn1 B4 20.98(8) . . . . ?
P1 Cu2 Sn1 B4 155.05(6) . . . . ?
N1 Cu2 Sn1 B4 -11.3(3) . . . . ?
B1 Cu2 Sn1 B4 -35.00(8) . . . . ?
Cu1 Cu2 Sn1 B4 77.05(5) . . . . ?
B2 Cu2 Sn1 B5 62.43(7) . . . . ?
P1 Cu2 Sn1 B5 -163.50(5) . . . . ?
N1 Cu2 Sn1 B5 30.2(3) . . . . ?
B1 Cu2 Sn1 B5 6.45(7) . . . . ?
Cu1 Cu2 Sn1 B5 118.50(5) . . . . ?
B2 Cu2 Sn1 B3 -12.82(7) . . . . ?
P1 Cu2 Sn1 B3 121.25(4) . . . . ?
N1 Cu2 Sn1 B3 -45.1(3) . . . . ?
B1 Cu2 Sn1 B3 -68.81(7) . . . . ?
Cu1 Cu2 Sn1 B3 43.25(4) . . . . ?
B2 Cu2 Sn1 B1 55.99(8) . . . . ?
P1 Cu2 Sn1 B1 -169.94(6) . . . . ?
N1 Cu2 Sn1 B1 23.7(3) . . . . ?
Cu1 Cu2 Sn1 B1 112.06(6) . . . . ?
P1 Cu2 Sn1 B2 134.07(5) . . . . ?
N1 Cu2 Sn1 B2 -32.3(3) . . . . ?
B1 Cu2 Sn1 B2 -55.99(8) . . . . ?
Cu1 Cu2 Sn1 B2 56.07(5) . . . . ?
B2 Cu2 Sn1 Cu1 -56.07(5) . . . . ?
P1 Cu2 Sn1 Cu1 78.001(13) . . . . ?
N1 Cu2 Sn1 Cu1 -88.3(3) . . . . ?
B1 Cu2 Sn1 Cu1 -112.06(6) . . . . ?
P2 Cu1 Sn1 B4 149.79(5) . . . . ?
B3 Cu1 Sn1 B4 -8.71(7) . . . . ?
N4 Cu1 Sn1 B4 -88.77(14) . . . . ?
B2 Cu1 Sn1 B4 -66.01(7) . . . . ?
Cu2 Cu1 Sn1 B4 -121.83(5) . . . . ?
P2 Cu1 Sn1 B5 -170.41(5) . . . . ?
B3 Cu1 Sn1 B5 31.09(8) . . . . ?
N4 Cu1 Sn1 B5 -48.98(14) . . . . ?
B2 Cu1 Sn1 B5 -26.21(7) . . . . ?
Cu2 Cu1 Sn1 B5 -82.03(5) . . . . ?
P2 Cu1 Sn1 B3 158.50(6) . . . . ?
N4 Cu1 Sn1 B3 -80.06(14) . . . . ?
B2 Cu1 Sn1 B3 -57.30(8) . . . . ?
Cu2 Cu1 Sn1 B3 -113.12(6) . . . . ?
P2 Cu1 Sn1 B1 -134.42(4) . . . . ?
B3 Cu1 Sn1 B1 67.08(7) . . . . ?
N4 Cu1 Sn1 B1 -12.99(14) . . . . ?
B2 Cu1 Sn1 B1 9.78(7) . . . . ?
Cu2 Cu1 Sn1 B1 -46.04(4) . . . . ?
P2 Cu1 Sn1 B2 -144.20(5) . . . . ?
B3 Cu1 Sn1 B2 57.30(8) . . . . ?
N4 Cu1 Sn1 B2 -22.76(14) . . . . ?
Cu2 Cu1 Sn1 B2 -55.82(5) . . . . ?
P2 Cu1 Sn1 Cu2 -88.383(13) . . . . ?
B3 Cu1 Sn1 Cu2 113.12(6) . . . . ?
N4 Cu1 Sn1 Cu2 33.05(13) . . . . ?
B2 Cu1 Sn1 Cu2 55.82(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        28.06
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.063
_database_code_depnum_ccdc_archive 'CCDC 992554'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_I
_chemical_name_systematic        ?
_chemical_name_common            HS183
_chemical_formula_moiety         'C37 H48 Cu2 N6 P2, 2(C H11 B10 Sn), C2 H3 N'
_chemical_formula_sum            'C41 H73 B20 Cu2 N7 P2 Sn2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1306.66

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5306(3)
_cell_length_b                   14.5334(4)
_cell_length_c                   20.3679(6)
_cell_angle_alpha                92.217(2)
_cell_angle_beta                 95.158(2)
_cell_angle_gamma                107.583(2)
_cell_volume                     2952.42(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    267
_cell_measurement_theta_min      2.4095
_cell_measurement_theta_max      29.5814
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1312

_exptl_absorpt_coefficient_mu    1.638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.8837
_exptl_absorpt_correction_T_max  0.9758

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   ?
_diffrn_source_type              'fine-focus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            51583
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0873
_diffrn_reflns_theta_min         1.47
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_full        27.92
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             13950
_reflns_number_gt                8929
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0757
_refine_ls_goodness_of_fit_ref   0.902
_refine_ls_restrained_S_all      0.902
_refine_ls_number_reflns         13950
_refine_ls_number_parameters     670
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0303P)²+0.0000P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.006
_refine_diff_density_min         -1.158
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.4904(3) 0.3677(2) 0.64934(16) 0.0119(7) Uani d . 1 . .
H H1A 0.5446 0.4358 0.6461 0.014 Uiso calc R 1 . .
H H1B 0.425 0.3478 0.6094 0.014 Uiso calc R 1 . .
C C2 0.7037(3) 0.3281(2) 0.58537(15) 0.0109(7) Uani d . 1 . .
C C3 0.7578(3) 0.2605(2) 0.55695(15) 0.0104(7) Uani d . 1 . .
C C4 0.8405(3) 0.2872(2) 0.50735(16) 0.0146(7) Uani d . 1 . .
H H4A 0.8792 0.2421 0.4891 0.017 Uiso calc R 1 . .
C C5 0.8677(3) 0.3788(2) 0.48393(16) 0.0160(7) Uani d . 1 . .
H H5 0.9239 0.3959 0.4495 0.019 Uiso calc R 1 . .
C C6 0.8129(3) 0.4451(2) 0.51091(16) 0.0162(7) Uani d . 1 . .
H H6 0.8309 0.5076 0.4947 0.019 Uiso calc R 1 . .
C C7 0.7320(3) 0.4204(2) 0.56143(16) 0.0133(7) Uani d . 1 . .
H H7 0.6954 0.4664 0.58 0.016 Uiso calc R 1 . .
C C8 0.6576(3) 0.0912(2) 0.52451(17) 0.0209(8) Uani d . 1 . .
H H8A 0.636 0.0257 0.5399 0.031 Uiso calc R 1 . .
H H8B 0.7166 0.0969 0.4893 0.031 Uiso calc R 1 . .
H H8C 0.5748 0.1037 0.5074 0.031 Uiso calc R 1 . .
C C9 0.8522(3) 0.1436(2) 0.60577(17) 0.0184(8) Uani d . 1 . .
H H9A 0.8306 0.0784 0.6216 0.028 Uiso calc R 1 . .
H H9B 0.8988 0.1912 0.6422 0.028 Uiso calc R 1 . .
H H9C 0.91 0.1484 0.5701 0.028 Uiso calc R 1 . .
C C10 0.7213(3) 0.3404(2) 0.72553(16) 0.0130(7) Uani d . 1 . .
C C11 0.7549(3) 0.2763(2) 0.76856(16) 0.0144(7) Uani d . 1 . .
C C12 0.8478(3) 0.3124(2) 0.82312(17) 0.0195(8) Uani d . 1 . .
H H12 0.8688 0.2692 0.853 0.023 Uiso calc R 1 . .
C C13 0.9106(3) 0.4113(3) 0.83462(18) 0.0219(8) Uani d . 1 . .
H H13 0.9768 0.435 0.8712 0.026 Uiso calc R 1 . .
C C14 0.8772(3) 0.4751(2) 0.79297(17) 0.0198(8) Uani d . 1 . .
H H14 0.9186 0.5429 0.8014 0.024 Uiso calc R 1 . .
C C15 0.7832(3) 0.4399(2) 0.73899(16) 0.0153(7) Uani d . 1 . .
H H15 0.7601 0.484 0.7105 0.018 Uiso calc R 1 . .
C C16 0.7798(3) 0.1131(2) 0.77067(17) 0.0223(8) Uani d . 1 . .
H H16A 0.7295 0.0444 0.7617 0.033 Uiso calc R 1 . .
H H16B 0.817 0.1252 0.8172 0.033 Uiso calc R 1 . .
H H16C 0.8529 0.1306 0.7424 0.033 Uiso calc R 1 . .
C C17 0.5784(3) 0.1429(2) 0.79958(17) 0.0239(8) Uani d . 1 . .
H H17A 0.5331 0.0732 0.7919 0.036 Uiso calc R 1 . .
H H17B 0.5141 0.1782 0.7891 0.036 Uiso calc R 1 . .
H H17C 0.6153 0.158 0.846 0.036 Uiso calc R 1 . .
C C18 0.2929(3) 0.4358(2) 0.70824(16) 0.0124(7) Uani d . 1 . .
C C19 0.3046(3) 0.5118(2) 0.75553(16) 0.0142(7) Uani d . 1 . .
C C20 0.2197(3) 0.5689(2) 0.74706(17) 0.0190(8) Uani d . 1 . .
H H20 0.2288 0.6217 0.7779 0.023 Uiso calc R 1 . .
C C21 0.1225(3) 0.5484(2) 0.69383(17) 0.0213(8) Uani d . 1 . .
H H21 0.0645 0.5872 0.6886 0.026 Uiso calc R 1 . .
C C22 0.1082(3) 0.4723(2) 0.64800(17) 0.0198(8) Uani d . 1 . .
H H22 0.0399 0.4581 0.612 0.024 Uiso calc R 1 . .
C C23 0.1947(3) 0.4169(2) 0.65503(16) 0.0159(7) Uani d . 1 . .
H H23 0.1866 0.3655 0.6231 0.019 Uiso calc R 1 . .
C C24 0.3604(4) 0.5628(3) 0.87297(17) 0.0258(9) Uani d . 1 . .
H H24A 0.4307 0.5723 0.9098 0.039 Uiso calc R 1 . .
H H24B 0.2782 0.5149 0.8836 0.039 Uiso calc R 1 . .
H H24C 0.3429 0.6244 0.8656 0.039 Uiso calc R 1 . .
C C25 0.5320(3) 0.5988(2) 0.79889(18) 0.0237(8) Uani d . 1 . .
H H25A 0.5984 0.6091 0.8376 0.036 Uiso calc R 1 . .
H H25B 0.5169 0.6603 0.789 0.036 Uiso calc R 1 . .
H H25C 0.5652 0.5735 0.7609 0.036 Uiso calc R 1 . .
C C26 0.2846(3) 0.2370(2) 0.71865(17) 0.0132(7) Uani d . 1 . .
C C27 0.2443(3) 0.2010(2) 0.77852(17) 0.0166(7) Uani d . 1 . .
C C28 0.1612(3) 0.1058(2) 0.77867(19) 0.0224(8) Uani d . 1 . .
H H28 0.1327 0.0806 0.8191 0.027 Uiso calc R 1 . .
C C29 0.1204(3) 0.0483(3) 0.7207(2) 0.0282(9) Uani d . 1 . .
H H29 0.0644 -0.0165 0.7216 0.034 Uiso calc R 1 . .
C C30 0.1593(3) 0.0832(2) 0.66165(19) 0.0229(8) Uani d . 1 . .
H H30 0.1297 0.043 0.6218 0.027 Uiso calc R 1 . .
C C31 0.2420(3) 0.1773(2) 0.66058(17) 0.0171(7) Uani d . 1 . .
H H31 0.2701 0.2014 0.6198 0.021 Uiso calc R 1 . .
C C32 0.1729(3) 0.2985(3) 0.8555(2) 0.0299(9) Uani d . 1 . .
H H32A 0.1996 0.3405 0.8964 0.045 Uiso calc R 1 . .
H H32B 0.095 0.2432 0.8614 0.045 Uiso calc R 1 . .
H H32C 0.1496 0.3351 0.8194 0.045 Uiso calc R 1 . .
C C33 0.3249(4) 0.2141(3) 0.89622(17) 0.0281(9) Uani d . 1 . .
H H33A 0.3506 0.2591 0.9357 0.042 Uiso calc R 1 . .
H H33B 0.401 0.1922 0.8865 0.042 Uiso calc R 1 . .
H H33C 0.2494 0.1581 0.9041 0.042 Uiso calc R 1 . .
C C34 0.3839(3) -0.0591(2) 0.67073(17) 0.0193(8) Uani d . 1 . .
C C35 0.2894(3) -0.1505(2) 0.6855(2) 0.0298(9) Uani d . 1 . .
H H35A 0.3205 -0.2042 0.6708 0.045 Uiso calc R 1 . .
H H35B 0.2009 -0.1575 0.6623 0.045 Uiso calc R 1 . .
H H35C 0.2834 -0.1511 0.7332 0.045 Uiso calc R 1 . .
C C36 0.6928(4) 0.4503(2) 0.93470(17) 0.0190(8) Uani d . 1 . .
C C37 0.8170(3) 0.4854(3) 0.97876(18) 0.0256(9) Uani d . 1 . .
H H37A 0.8863 0.529 0.9557 0.038 Uiso calc R 1 . .
H H37B 0.8463 0.4304 0.9923 0.038 Uiso calc R 1 . .
H H37C 0.8019 0.5203 1.0179 0.038 Uiso calc R 1 . .
C C38 0.6842(3) 0.7742(2) 0.65965(17) 0.0207(8) Uani d . 1 . .
H H38 0.6473 0.7825 0.7087 0.025 Uiso calc R 1 . .
C C41 1.1095(4) 0.9212(2) 0.94178(18) 0.0255(9) Uani d . 1 . .
H H41 1.1184 0.9991 0.9527 0.031 Uiso calc R 1 . .
C C100 0.4219(4) 0.1230(3) 0.1484(3) 0.0425(12) Uani d . 1 . .
C C101 0.3949(5) 0.1181(5) 0.0769(3) 0.083(2) Uani d . 1 . .
H H10A 0.4787 0.147 0.0576 0.125 Uiso calc R 1 . .
H H10B 0.3315 0.1535 0.0649 0.125 Uiso calc R 1 . .
H H10C 0.3564 0.0503 0.06 0.125 Uiso calc R 1 . .
N N1 0.7263(2) 0.16287(17) 0.58052(13) 0.0114(6) Uani d . 1 . .
N N2 0.6891(3) 0.17219(18) 0.75656(13) 0.0151(6) Uani d . 1 . .
N N3 0.4041(3) 0.52818(18) 0.81292(13) 0.0162(6) Uani d . 1 . .
N N4 0.2849(3) 0.26351(19) 0.83939(14) 0.0182(6) Uani d . 1 . .
N N5 0.4577(3) 0.01119(19) 0.65915(14) 0.0184(6) Uani d . 1 . .
N N6 0.5973(3) 0.4242(2) 0.89951(14) 0.0193(6) Uani d . 1 . .
N N100 0.4445(4) 0.1297(3) 0.2046(2) 0.0538(11) Uani d . 1 . .
B B1 0.6955(4) 0.6634(3) 0.6327(2) 0.0194(9) Uani d . 1 . .
H H1 0.668 0.5971 0.6612 0.023 Uiso calc R 1 . .
B B2 0.6773(4) 0.6592(3) 0.54302(19) 0.0157(8) Uani d . 1 . .
H H2 0.6406 0.5905 0.5105 0.019 Uiso calc R 1 . .
B B3 0.6485(4) 0.7721(3) 0.5203(2) 0.0184(9) Uani d . 1 . .
H H3 0.5921 0.7802 0.4727 0.022 Uiso calc R 1 . .
B B4 0.6491(4) 0.8392(3) 0.5970(2) 0.0207(9) Uani d . 1 . .
H H4 0.5892 0.8906 0.6018 0.025 Uiso calc R 1 . .
B B5 0.8080(4) 0.8696(3) 0.6395(2) 0.0236(10) Uani d . 1 . .
H H5A 0.8505 0.9389 0.6711 0.028 Uiso calc R 1 . .
B B6 0.8387(4) 0.7613(3) 0.6626(2) 0.0239(10) Uani d . 1 . .
H H6A 0.9016 0.7585 0.7094 0.029 Uiso calc R 1 . .
B B7 0.8378(4) 0.6913(3) 0.58961(19) 0.0175(9) Uani d . 1 . .
H H7A 0.9012 0.6419 0.5883 0.021 Uiso calc R 1 . .
B B8 0.8094(4) 0.7572(3) 0.52080(19) 0.0163(8) Uani d . 1 . .
H H8 0.8541 0.7514 0.4735 0.02 Uiso calc R 1 . .
B B9 0.7907(4) 0.8682(3) 0.5527(2) 0.0209(9) Uani d . 1 . .
H H9 0.8222 0.9365 0.5265 0.025 Uiso calc R 1 . .
B B10 0.9091(4) 0.8194(3) 0.5932(2) 0.0225(9) Uani d . 1 . .
H H10 1.0195 0.8551 0.5935 0.027 Uiso calc R 1 . .
B B11 0.9728(4) 0.8338(3) 0.9639(2) 0.0248(10) Uani d . 1 . .
H H11 0.891 0.8504 0.9889 0.03 Uiso calc R 1 . .
B B12 0.9452(4) 0.7280(3) 0.9075(2) 0.0195(9) Uani d . 1 . .
H H12A 0.8453 0.6715 0.8961 0.023 Uiso calc R 1 . .
B B13 1.0719(4) 0.7620(3) 0.8487(2) 0.0203(9) Uani d . 1 . .
H H13A 1.0582 0.7282 0.7972 0.024 Uiso calc R 1 . .
B B14 1.1688(4) 0.8866(3) 0.8724(2) 0.0223(9) Uani d . 1 . .
H H14A 1.2177 0.9388 0.8364 0.027 Uiso calc R 1 . .
B B15 1.2561(5) 0.8926(3) 0.9516(2) 0.0266(10) Uani d . 1 . .
H H15A 1.3571 0.9465 0.9662 0.032 Uiso calc R 1 . .
B B16 1.1339(4) 0.8587(3) 1.0086(2) 0.0286(11) Uani d . 1 . .
H H16 1.1547 0.8901 1.061 0.034 Uiso calc R 1 . .
B B17 1.0342(4) 0.7370(3) 0.9875(2) 0.0232(10) Uani d . 1 . .
H H17 0.9899 0.688 1.0262 0.028 Uiso calc R 1 . .
B B18 1.0945(4) 0.6953(3) 0.91673(19) 0.0173(9) Uani d . 1 . .
H H18 1.0899 0.6177 0.9086 0.021 Uiso calc R 1 . .
B B19 1.2306(4) 0.7911(3) 0.8948(2) 0.0200(9) Uani d . 1 . .
H H19 1.3167 0.7776 0.8719 0.024 Uiso calc R 1 . .
B B20 1.2098(4) 0.7736(3) 0.9791(2) 0.0239(10) Uani d . 1 . .
H H20A 1.2814 0.7479 1.0119 0.029 Uiso calc R 1 . .
P P1 0.60101(8) 0.29047(6) 0.65257(4) 0.01079(18) Uani d . 1 . .
P P2 0.40057(8) 0.35882(6) 0.72273(4) 0.01138(18) Uani d . 1 . .
Cu Cu1 0.58306(4) 0.13739(3) 0.65437(2) 0.01511(10) Uani d . 1 . .
Cu Cu2 0.46066(4) 0.39206(3) 0.82782(2) 0.01637(10) Uani d . 1 . .
Sn Sn1 0.48628(2) 0.679686(19) 0.587363(13) 0.02660(7) Uani d . 1 . .
Sn Sn2 0.93355(3) 0.864117(19) 0.848837(14) 0.02836(8) Uani d . 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 P2 . 1.828(3) ?
C1 P1 . 1.845(3) ?
C1 H1A . 0.99 ?
C1 H1B . 0.99 ?
C2 C7 . 1.401(4) ?
C2 C3 . 1.406(4) ?
C2 P1 . 1.819(3) ?
C3 C4 . 1.383(4) ?
C3 N1 . 1.467(4) ?
C4 C5 . 1.388(4) ?
C4 H4A . 0.95 ?
C5 C6 . 1.384(4) ?
C5 H5 . 0.95 ?
C6 C7 . 1.384(4) ?
C6 H6 . 0.95 ?
C7 H7 . 0.95 ?
C8 N1 . 1.489(4) ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 N1 . 1.488(4) ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C15 . 1.400(4) ?
C10 C11 . 1.403(4) ?
C10 P1 . 1.834(3) ?
C11 C12 . 1.385(4) ?
C11 N2 . 1.462(4) ?
C12 C13 . 1.388(5) ?
C12 H12 . 0.95 ?
C13 C14 . 1.382(5) ?
C13 H13 . 0.95 ?
C14 C15 . 1.380(4) ?
C14 H14 . 0.95 ?
C15 H15 . 0.95 ?
C16 N2 . 1.483(4) ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 N2 . 1.490(4) ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 C23 . 1.387(4) ?
C18 C19 . 1.406(4) ?
C18 P2 . 1.832(3) ?
C19 C20 . 1.396(4) ?
C19 N3 . 1.459(4) ?
C20 C21 . 1.380(5) ?
C20 H20 . 0.95 ?
C21 C22 . 1.383(5) ?
C21 H21 . 0.95 ?
C22 C23 . 1.388(4) ?
C22 H22 . 0.95 ?
C23 H23 . 0.95 ?
C24 N3 . 1.468(4) ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 N3 . 1.485(4) ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 C31 . 1.394(4) ?
C26 C27 . 1.396(4) ?
C26 P2 . 1.816(3) ?
C27 C28 . 1.396(4) ?
C27 N4 . 1.459(4) ?
C28 C29 . 1.375(5) ?
C28 H28 . 0.95 ?
C29 C30 . 1.372(5) ?
C29 H29 . 0.95 ?
C30 C31 . 1.385(4) ?
C30 H30 . 0.95 ?
C31 H31 . 0.95 ?
C32 N4 . 1.476(4) ?
C32 H32A . 0.98 ?
C32 H32B . 0.98 ?
C32 H32C . 0.98 ?
C33 N4 . 1.481(4) ?
C33 H33A . 0.98 ?
C33 H33B . 0.98 ?
C33 H33C . 0.98 ?
C34 N5 . 1.129(4) ?
C34 C35 . 1.460(5) ?
C35 H35A . 0.98 ?
C35 H35B . 0.98 ?
C35 H35C . 0.98 ?
C36 N6 . 1.135(4) ?
C36 C37 . 1.458(5) ?
C37 H37A . 0.98 ?
C37 H37B . 0.98 ?
C37 H37C . 0.98 ?
C38 B5 . 1.685(5) ?
C38 B6 . 1.689(5) ?
C38 B4 . 1.697(5) ?
C38 B1 . 1.722(5) ?
C38 Sn1 . 2.442(3) ?
C38 H38 . 1.12 ?
C41 B16 . 1.707(5) ?
C41 B15 . 1.712(5) ?
C41 B14 . 1.712(5) ?
C41 B11 . 1.716(5) ?
C41 Sn2 . 2.454(4) ?
C41 H41 . 1.12 ?
C100 N100 . 1.142(6) ?
C100 C101 . 1.454(7) ?
C101 H10A . 0.98 ?
C101 H10B . 0.98 ?
C101 H10C . 0.98 ?
N1 Cu1 . 2.189(3) ?
N2 Cu1 . 2.235(3) ?
N3 Cu2 . 2.255(2) ?
N4 Cu2 . 2.235(3) ?
N5 Cu1 . 1.921(3) ?
N6 Cu2 . 1.893(3) ?
B1 B7 . 1.754(6) ?
B1 B6 . 1.773(6) ?
B1 B2 . 1.816(5) ?
B1 Sn1 . 2.393(4) ?
B1 H1 . 1.12 ?
B2 B8 . 1.770(5) ?
B2 B7 . 1.782(5) ?
B2 B3 . 1.826(5) ?
B2 Sn1 . 2.371(4) ?
B2 H2 . 1.12 ?
B3 B9 . 1.765(6) ?
B3 B8 . 1.772(5) ?
B3 B4 . 1.807(6) ?
B3 Sn1 . 2.400(4) ?
B3 H3 . 1.12 ?
B4 B5 . 1.735(6) ?
B4 B9 . 1.763(6) ?
B4 Sn1 . 2.419(4) ?
B4 H4 . 1.12 ?
B5 B9 . 1.760(6) ?
B5 B6 . 1.773(5) ?
B5 B10 . 1.774(6) ?
B5 H5A . 1.12 ?
B6 B7 . 1.766(6) ?
B6 B10 . 1.779(6) ?
B6 H6A . 1.12 ?
B7 B10 . 1.781(5) ?
B7 B8 . 1.781(5) ?
B7 H7A . 1.12 ?
B8 B10 . 1.772(5) ?
B8 B9 . 1.789(5) ?
B8 H8 . 1.12 ?
B9 B10 . 1.770(5) ?
B9 H9 . 1.12 ?
B10 H10 . 1.12 ?
B11 B16 . 1.779(6) ?
B11 B17 . 1.782(5) ?
B11 B12 . 1.817(6) ?
B11 Sn2 . 2.423(4) ?
B11 H11 . 1.12 ?
B12 B18 . 1.771(5) ?
B12 B17 . 1.784(6) ?
B12 B13 . 1.842(6) ?
B12 Sn2 . 2.380(4) ?
B12 H12A . 1.12 ?
B13 B18 . 1.760(5) ?
B13 B19 . 1.765(6) ?
B13 B14 . 1.811(6) ?
B13 Sn2 . 2.373(4) ?
B13 H13A . 1.12 ?
B14 B19 . 1.760(5) ?
B14 B15 . 1.769(6) ?
B14 Sn2 . 2.400(4) ?
B14 H14A . 1.12 ?
B15 B20 . 1.776(6) ?
B15 B19 . 1.778(6) ?
B15 B16 . 1.781(6) ?
B15 H15A . 1.12 ?
B16 B17 . 1.776(6) ?
B16 B20 . 1.776(6) ?
B16 H16 . 1.12 ?
B17 B18 . 1.782(6) ?
B17 B20 . 1.789(6) ?
B17 H17 . 1.12 ?
B18 B19 . 1.774(5) ?
B18 B20 . 1.777(5) ?
B18 H18 . 1.12 ?
B19 B20 . 1.767(6) ?
B19 H19 . 1.12 ?
B20 H20A . 1.12 ?
P1 Cu1 . 2.1772(8) ?
P2 Cu2 . 2.1695(9) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P2 C1 P1 . . 111.18(16) ?
P2 C1 H1A . . 109.4 ?
P1 C1 H1A . . 109.4 ?
P2 C1 H1B . . 109.4 ?
P1 C1 H1B . . 109.4 ?
H1A C1 H1B . . 108.0 ?
C7 C2 C3 . . 119.1(3) ?
C7 C2 P1 . . 123.3(2) ?
C3 C2 P1 . . 117.6(2) ?
C4 C3 C2 . . 119.5(3) ?
C4 C3 N1 . . 120.9(3) ?
C2 C3 N1 . . 119.6(3) ?
C3 C4 C5 . . 120.9(3) ?
C3 C4 H4A . . 119.5 ?
C5 C4 H4A . . 119.5 ?
C6 C5 C4 . . 119.8(3) ?
C6 C5 H5 . . 120.1 ?
C4 C5 H5 . . 120.1 ?
C7 C6 C5 . . 120.2(3) ?
C7 C6 H6 . . 119.9 ?
C5 C6 H6 . . 119.9 ?
C6 C7 C2 . . 120.5(3) ?
C6 C7 H7 . . 119.8 ?
C2 C7 H7 . . 119.8 ?
N1 C8 H8A . . 109.5 ?
N1 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
N1 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
N1 C9 H9A . . 109.5 ?
N1 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
N1 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C15 C10 C11 . . 118.8(3) ?
C15 C10 P1 . . 122.4(2) ?
C11 C10 P1 . . 118.7(2) ?
C12 C11 C10 . . 119.6(3) ?
C12 C11 N2 . . 120.5(3) ?
C10 C11 N2 . . 119.9(3) ?
C11 C12 C13 . . 120.6(3) ?
C11 C12 H12 . . 119.7 ?
C13 C12 H12 . . 119.7 ?
C14 C13 C12 . . 120.2(3) ?
C14 C13 H13 . . 119.9 ?
C12 C13 H13 . . 119.9 ?
C15 C14 C13 . . 119.6(3) ?
C15 C14 H14 . . 120.2 ?
C13 C14 H14 . . 120.2 ?
C14 C15 C10 . . 121.1(3) ?
C14 C15 H15 . . 119.5 ?
C10 C15 H15 . . 119.5 ?
N2 C16 H16A . . 109.5 ?
N2 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
N2 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
N2 C17 H17A . . 109.5 ?
N2 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
N2 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C23 C18 C19 . . 119.5(3) ?
C23 C18 P2 . . 122.0(2) ?
C19 C18 P2 . . 118.3(2) ?
C20 C19 C18 . . 119.4(3) ?
C20 C19 N3 . . 121.5(3) ?
C18 C19 N3 . . 119.1(2) ?
C21 C20 C19 . . 120.0(3) ?
C21 C20 H20 . . 120.0 ?
C19 C20 H20 . . 120.0 ?
C20 C21 C22 . . 120.9(3) ?
C20 C21 H21 . . 119.5 ?
C22 C21 H21 . . 119.5 ?
C21 C22 C23 . . 119.5(3) ?
C21 C22 H22 . . 120.3 ?
C23 C22 H22 . . 120.3 ?
C18 C23 C22 . . 120.7(3) ?
C18 C23 H23 . . 119.7 ?
C22 C23 H23 . . 119.7 ?
N3 C24 H24A . . 109.5 ?
N3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
N3 C25 H25A . . 109.5 ?
N3 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
N3 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C31 C26 C27 . . 119.5(3) ?
C31 C26 P2 . . 123.7(3) ?
C27 C26 P2 . . 116.6(2) ?
C28 C27 C26 . . 119.0(3) ?
C28 C27 N4 . . 120.9(3) ?
C26 C27 N4 . . 120.1(3) ?
C29 C28 C27 . . 120.4(3) ?
C29 C28 H28 . . 119.8 ?
C27 C28 H28 . . 119.8 ?
C30 C29 C28 . . 121.0(3) ?
C30 C29 H29 . . 119.5 ?
C28 C29 H29 . . 119.5 ?
C29 C30 C31 . . 119.4(3) ?
C29 C30 H30 . . 120.3 ?
C31 C30 H30 . . 120.3 ?
C30 C31 C26 . . 120.7(3) ?
C30 C31 H31 . . 119.7 ?
C26 C31 H31 . . 119.7 ?
N4 C32 H32A . . 109.5 ?
N4 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
N4 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
N4 C33 H33A . . 109.5 ?
N4 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
N4 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
N5 C34 C35 . . 179.4(4) ?
C34 C35 H35A . . 109.5 ?
C34 C35 H35B . . 109.5 ?
H35A C35 H35B . . 109.5 ?
C34 C35 H35C . . 109.5 ?
H35A C35 H35C . . 109.5 ?
H35B C35 H35C . . 109.5 ?
N6 C36 C37 . . 178.7(4) ?
C36 C37 H37A . . 109.5 ?
C36 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
C36 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
B5 C38 B6 . . 63.4(2) ?
B5 C38 B4 . . 61.7(2) ?
B6 C38 B4 . . 114.0(3) ?
B5 C38 B1 . . 114.4(3) ?
B6 C38 B1 . . 62.6(2) ?
B4 C38 B1 . . 113.0(3) ?
B5 C38 Sn1 . . 126.6(2) ?
B6 C38 Sn1 . . 126.4(2) ?
B4 C38 Sn1 . . 68.87(18) ?
B1 C38 Sn1 . . 67.64(17) ?
B5 C38 H38 . . 115.7 ?
B6 C38 H38 . . 115.5 ?
B4 C38 H38 . . 119.4 ?
B1 C38 H38 . . 119.5 ?
Sn1 C38 H38 . . 105.2 ?
B16 C41 B15 . . 62.8(2) ?
B16 C41 B14 . . 113.4(3) ?
B15 C41 B14 . . 62.2(2) ?
B16 C41 B11 . . 62.6(2) ?
B15 C41 B11 . . 114.4(3) ?
B14 C41 B11 . . 112.9(3) ?
B16 C41 Sn2 . . 126.5(2) ?
B15 C41 Sn2 . . 126.0(2) ?
B14 C41 Sn2 . . 67.66(18) ?
B11 C41 Sn2 . . 68.42(18) ?
B16 C41 H41 . . 115.8 ?
B15 C41 H41 . . 115.8 ?
B14 C41 H41 . . 120.0 ?
B11 C41 H41 . . 118.9 ?
Sn2 C41 H41 . . 105.4 ?
N100 C100 C101 . . 178.0(5) ?
C100 C101 H10A . . 109.5 ?
C100 C101 H10B . . 109.5 ?
H10A C101 H10B . . 109.5 ?
C100 C101 H10C . . 109.5 ?
H10A C101 H10C . . 109.5 ?
H10B C101 H10C . . 109.5 ?
C3 N1 C9 . . 109.8(2) ?
C3 N1 C8 . . 109.0(2) ?
C9 N1 C8 . . 109.0(2) ?
C3 N1 Cu1 . . 113.16(18) ?
C9 N1 Cu1 . . 111.39(19) ?
C8 N1 Cu1 . . 104.32(19) ?
C11 N2 C16 . . 113.7(2) ?
C11 N2 C17 . . 108.5(2) ?
C16 N2 C17 . . 108.1(2) ?
C11 N2 Cu1 . . 110.63(19) ?
C16 N2 Cu1 . . 111.8(2) ?
C17 N2 Cu1 . . 103.50(19) ?
C19 N3 C24 . . 113.1(2) ?
C19 N3 C25 . . 110.0(3) ?
C24 N3 C25 . . 109.2(3) ?
C19 N3 Cu2 . . 109.29(18) ?
C24 N3 Cu2 . . 111.8(2) ?
C25 N3 Cu2 . . 102.95(18) ?
C27 N4 C32 . . 109.2(3) ?
C27 N4 C33 . . 112.9(3) ?
C32 N4 C33 . . 108.9(3) ?
C27 N4 Cu2 . . 111.0(2) ?
C32 N4 Cu2 . . 108.2(2) ?
C33 N4 Cu2 . . 106.6(2) ?
C34 N5 Cu1 . . 170.6(3) ?
C36 N6 Cu2 . . 168.4(3) ?
C38 B1 B7 . . 104.5(3) ?
C38 B1 B6 . . 57.8(2) ?
B7 B1 B6 . . 60.1(2) ?
C38 B1 B2 . . 106.4(2) ?
B7 B1 B2 . . 59.8(2) ?
B6 B1 B2 . . 108.4(3) ?
C38 B1 Sn1 . . 70.64(16) ?
B7 B1 Sn1 . . 122.5(2) ?
B6 B1 Sn1 . . 124.7(2) ?
B2 B1 Sn1 . . 66.94(16) ?
C38 B1 H1 . . 124.3 ?
B7 B1 H1 . . 120.8 ?
B6 B1 H1 . . 119.0 ?
B2 B1 H1 . . 123.2 ?
Sn1 B1 H1 . . 105.1 ?
B8 B2 B7 . . 60.2(2) ?
B8 B2 B1 . . 106.3(3) ?
B7 B2 B1 . . 58.4(2) ?
B8 B2 B3 . . 59.0(2) ?
B7 B2 B3 . . 106.7(3) ?
B1 B2 B3 . . 106.6(2) ?
B8 B2 Sn1 . . 122.9(2) ?
B7 B2 Sn1 . . 122.4(2) ?
B1 B2 Sn1 . . 68.25(17) ?
B3 B2 Sn1 . . 68.34(16) ?
B8 B2 H2 . . 119.9 ?
B7 B2 H2 . . 120.2 ?
B1 B2 H2 . . 123.9 ?
B3 B2 H2 . . 123.4 ?
Sn1 B2 H2 . . 106.1 ?
B9 B3 B8 . . 60.8(2) ?
B9 B3 B4 . . 59.1(2) ?
B8 B3 B4 . . 106.5(3) ?
B9 B3 B2 . . 107.8(3) ?
B8 B3 B2 . . 58.9(2) ?
B4 B3 B2 . . 106.3(3) ?
B9 B3 Sn1 . . 123.4(2) ?
B8 B3 Sn1 . . 121.3(2) ?
B4 B3 Sn1 . . 68.56(18) ?
B2 B3 Sn1 . . 66.66(17) ?
B9 B3 H3 . . 118.7 ?
B8 B3 H3 . . 120.2 ?
B4 B3 H3 . . 123.4 ?
B2 B3 H3 . . 123.8 ?
Sn1 B3 H3 . . 106.9 ?
C38 B4 B5 . . 58.8(2) ?
C38 B4 B9 . . 105.8(3) ?
B5 B4 B9 . . 60.4(2) ?
C38 B4 B3 . . 107.5(3) ?
B5 B4 B3 . . 108.7(3) ?
B9 B4 B3 . . 59.2(2) ?
C38 B4 Sn1 . . 70.28(17) ?
B5 B4 Sn1 . . 125.2(2) ?
B9 B4 Sn1 . . 122.4(2) ?
B3 B4 Sn1 . . 67.40(18) ?
C38 B4 H4 . . 123.2 ?
B5 B4 H4 . . 118.4 ?
B9 B4 H4 . . 120.8 ?
B3 B4 H4 . . 123.0 ?
Sn1 B4 H4 . . 105.1 ?
C38 B5 B4 . . 59.5(2) ?
C38 B5 B9 . . 106.4(3) ?
B4 B5 B9 . . 60.6(2) ?
C38 B5 B6 . . 58.4(2) ?
B4 B5 B6 . . 108.1(3) ?
B9 B5 B6 . . 108.6(3) ?
C38 B5 B10 . . 105.4(3) ?
B4 B5 B10 . . 108.4(3) ?
B9 B5 B10 . . 60.1(2) ?
B6 B5 B10 . . 60.2(2) ?
C38 B5 H5A . . 124.0 ?
B4 B5 H5A . . 121.2 ?
B9 B5 H5A . . 121.5 ?
B6 B5 H5A . . 121.6 ?
B10 B5 H5A . . 122.2 ?
C38 B6 B7 . . 105.4(3) ?
C38 B6 B1 . . 59.6(2) ?
B7 B6 B1 . . 59.4(2) ?
C38 B6 B5 . . 58.2(2) ?
B7 B6 B5 . . 107.9(3) ?
B1 B6 B5 . . 107.7(3) ?
C38 B6 B10 . . 105.0(3) ?
B7 B6 B10 . . 60.3(2) ?
B1 B6 B10 . . 107.8(3) ?
B5 B6 B10 . . 59.9(2) ?
C38 B6 H6A . . 124.2 ?
B7 B6 H6A . . 122.2 ?
B1 B6 H6A . . 121.6 ?
B5 B6 H6A . . 121.9 ?
B10 B6 H6A . . 122.3 ?
B1 B7 B6 . . 60.5(2) ?
B1 B7 B10 . . 108.5(3) ?
B6 B7 B10 . . 60.2(2) ?
B1 B7 B8 . . 108.6(2) ?
B6 B7 B8 . . 108.2(3) ?
B10 B7 B8 . . 59.7(2) ?
B1 B7 B2 . . 61.8(2) ?
B6 B7 B2 . . 110.3(3) ?
B10 B7 B2 . . 108.5(2) ?
B8 B7 B2 . . 59.6(2) ?
B1 B7 H7A . . 120.9 ?
B6 B7 H7A . . 120.9 ?
B10 B7 H7A . . 121.8 ?
B8 B7 H7A . . 122.2 ?
B2 B7 H7A . . 120.5 ?
B2 B8 B3 . . 62.1(2) ?
B2 B8 B10 . . 109.4(3) ?
B3 B8 B10 . . 108.3(3) ?
B2 B8 B7 . . 60.2(2) ?
B3 B8 B7 . . 109.1(3) ?
B10 B8 B7 . . 60.2(2) ?
B2 B8 B9 . . 109.2(3) ?
B3 B8 B9 . . 59.4(2) ?
B10 B8 B9 . . 59.6(2) ?
B7 B8 B9 . . 107.4(3) ?
B2 B8 H8 . . 120.1 ?
B3 B8 H8 . . 120.9 ?
B10 B8 H8 . . 121.5 ?
B7 B8 H8 . . 121.8 ?
B9 B8 H8 . . 122.3 ?
B5 B9 B4 . . 59.0(2) ?
B5 B9 B3 . . 109.4(3) ?
B4 B9 B3 . . 61.6(2) ?
B5 B9 B10 . . 60.3(2) ?
B4 B9 B10 . . 107.3(3) ?
B3 B9 B10 . . 108.7(3) ?
B5 B9 B8 . . 107.9(3) ?
B4 B9 B8 . . 107.7(3) ?
B3 B9 B8 . . 59.8(2) ?
B10 B9 B8 . . 59.7(2) ?
B5 B9 H9 . . 121.5 ?
B4 B9 H9 . . 122.0 ?
B3 B9 H9 . . 120.4 ?
B10 B9 H9 . . 121.8 ?
B8 B9 H9 . . 122.2 ?
B9 B10 B8 . . 60.7(2) ?
B9 B10 B5 . . 59.6(2) ?
B8 B10 B5 . . 108.0(3) ?
B9 B10 B6 . . 107.8(3) ?
B8 B10 B6 . . 108.0(3) ?
B5 B10 B6 . . 59.9(2) ?
B9 B10 B7 . . 108.2(3) ?
B8 B10 B7 . . 60.2(2) ?
B5 B10 B7 . . 107.2(3) ?
B6 B10 B7 . . 59.5(2) ?
B9 B10 H10 . . 121.5 ?
B8 B10 H10 . . 121.3 ?
B5 B10 H10 . . 122.2 ?
B6 B10 H10 . . 121.9 ?
B7 B10 H10 . . 122.0 ?
C41 B11 B16 . . 58.5(2) ?
C41 B11 B17 . . 105.0(3) ?
B16 B11 B17 . . 59.8(2) ?
C41 B11 B12 . . 106.9(3) ?
B16 B11 B12 . . 108.1(3) ?
B17 B11 B12 . . 59.4(2) ?
C41 B11 Sn2 . . 70.39(19) ?
B16 B11 Sn2 . . 124.6(3) ?
B17 B11 Sn2 . . 121.5(2) ?
B12 B11 Sn2 . . 66.52(18) ?
C41 B11 H11 . . 123.5 ?
B16 B11 H11 . . 118.9 ?
B17 B11 H11 . . 121.2 ?
B12 B11 H11 . . 123.4 ?
Sn2 B11 H11 . . 105.7 ?
B18 B12 B17 . . 60.2(2) ?
B18 B12 B11 . . 106.3(3) ?
B17 B12 B11 . . 59.3(2) ?
B18 B12 B13 . . 58.3(2) ?
B17 B12 B13 . . 106.8(3) ?
B11 B12 B13 . . 106.4(3) ?
B18 B12 Sn2 . . 121.1(2) ?
B17 B12 Sn2 . . 123.7(2) ?
B11 B12 Sn2 . . 69.04(18) ?
B13 B12 Sn2 . . 67.00(16) ?
B18 B12 H12A . . 120.8 ?
B17 B12 H12A . . 119.1 ?
B11 B12 H12A . . 123.0 ?
B13 B12 H12A . . 124.3 ?
Sn2 B12 H12A . . 106.4 ?
B18 B13 B19 . . 60.4(2) ?
B18 B13 B14 . . 106.2(3) ?
B19 B13 B14 . . 59.0(2) ?
B18 B13 B12 . . 58.8(2) ?
B19 B13 B12 . . 107.2(3) ?
B14 B13 B12 . . 106.1(3) ?
B18 B13 Sn2 . . 122.0(2) ?
B19 B13 Sn2 . . 123.3(2) ?
B14 B13 Sn2 . . 68.51(17) ?
B12 B13 Sn2 . . 67.39(16) ?
B18 B13 H13A . . 120.2 ?
B19 B13 H13A . . 119.2 ?
B14 B13 H13A . . 123.8 ?
B12 B13 H13A . . 123.9 ?
Sn2 B13 H13A . . 106.3 ?
C41 B14 B19 . . 105.6(3) ?
C41 B14 B15 . . 58.9(2) ?
B19 B14 B15 . . 60.5(2) ?
C41 B14 B13 . . 107.4(3) ?
B19 B14 B13 . . 59.2(2) ?
B15 B14 B13 . . 109.0(3) ?
C41 B14 Sn2 . . 71.05(18) ?
B19 B14 Sn2 . . 122.1(2) ?
B15 B14 Sn2 . . 126.1(3) ?
B13 B14 Sn2 . . 66.91(17) ?
C41 B14 H14A . . 123.1 ?
B19 B14 H14A . . 121.1 ?
B15 B14 H14A . . 117.9 ?
B13 B14 H14A . . 123.2 ?
Sn2 B14 H14A . . 104.8 ?
C41 B15 B14 . . 58.9(2) ?
C41 B15 B20 . . 104.8(3) ?
B14 B15 B20 . . 107.1(3) ?
C41 B15 B19 . . 104.8(3) ?
B14 B15 B19 . . 59.5(2) ?
B20 B15 B19 . . 59.6(2) ?
C41 B15 B16 . . 58.5(2) ?
B14 B15 B16 . . 107.3(3) ?
B20 B15 B16 . . 59.9(2) ?
B19 B15 B16 . . 107.4(3) ?
C41 B15 H15A . . 124.4 ?
B14 B15 H15A . . 122.0 ?
B20 B15 H15A . . 122.6 ?
B19 B15 H15A . . 122.7 ?
B16 B15 H15A . . 121.9 ?
C41 B16 B17 . . 105.6(3) ?
C41 B16 B20 . . 105.0(3) ?
B17 B16 B20 . . 60.5(2) ?
C41 B16 B11 . . 58.9(2) ?
B17 B16 B11 . . 60.2(2) ?
B20 B16 B11 . . 108.2(3) ?
C41 B16 B15 . . 58.7(2) ?
B17 B16 B15 . . 108.6(3) ?
B20 B16 B15 . . 59.9(2) ?
B11 B16 B15 . . 108.1(3) ?
C41 B16 H16 . . 124.4 ?
B17 B16 H16 . . 121.7 ?
B20 B16 H16 . . 122.3 ?
B11 B16 H16 . . 121.4 ?
B15 B16 H16 . . 121.4 ?
B16 B17 B11 . . 60.0(2) ?
B16 B17 B18 . . 107.5(3) ?
B11 B17 B18 . . 107.4(3) ?
B16 B17 B12 . . 109.8(3) ?
B11 B17 B12 . . 61.3(2) ?
B18 B17 B12 . . 59.6(2) ?
B16 B17 B20 . . 59.8(2) ?
B11 B17 B20 . . 107.5(3) ?
B18 B17 B20 . . 59.7(2) ?
B12 B17 B20 . . 108.5(3) ?
B16 B17 H17 . . 121.3 ?
B11 B17 H17 . . 121.8 ?
B18 B17 H17 . . 122.6 ?
B12 B17 H17 . . 120.5 ?
B20 B17 H17 . . 122.0 ?
B13 B18 B12 . . 62.9(2) ?
B13 B18 B19 . . 59.9(2) ?
B12 B18 B19 . . 110.0(3) ?
B13 B18 B20 . . 109.2(3) ?
B12 B18 B20 . . 109.6(3) ?
B19 B18 B20 . . 59.7(2) ?
B13 B18 B17 . . 110.5(3) ?
B12 B18 B17 . . 60.2(2) ?
B19 B18 B17 . . 108.1(3) ?
B20 B18 B17 . . 60.3(2) ?
B13 B18 H18 . . 119.9 ?
B12 B18 H18 . . 119.8 ?
B19 B18 H18 . . 121.8 ?
B20 B18 H18 . . 121.4 ?
B17 B18 H18 . . 121.3 ?
B14 B19 B13 . . 61.8(2) ?
B14 B19 B20 . . 107.9(3) ?
B13 B19 B20 . . 109.4(3) ?
B14 B19 B18 . . 107.8(3) ?
B13 B19 B18 . . 59.7(2) ?
B20 B19 B18 . . 60.2(2) ?
B14 B19 B15 . . 60.0(2) ?
B13 B19 B15 . . 110.7(3) ?
B20 B19 B15 . . 60.1(2) ?
B18 B19 B15 . . 108.4(3) ?
B14 B19 H19 . . 121.6 ?
B13 B19 H19 . . 119.9 ?
B20 B19 H19 . . 121.5 ?
B18 B19 H19 . . 122.2 ?
B15 B19 H19 . . 120.9 ?
B19 B20 B15 . . 60.2(2) ?
B19 B20 B16 . . 108.1(3) ?
B15 B20 B16 . . 60.2(2) ?
B19 B20 B18 . . 60.1(2) ?
B15 B20 B18 . . 108.3(3) ?
B16 B20 B18 . . 107.7(3) ?
B19 B20 B17 . . 108.1(3) ?
B15 B20 B17 . . 108.3(3) ?
B16 B20 B17 . . 59.7(2) ?
B18 B20 B17 . . 60.0(2) ?
B19 B20 H20A . . 121.6 ?
B15 B20 H20A . . 121.3 ?
B16 B20 H20A . . 121.9 ?
B18 B20 H20A . . 121.7 ?
B17 B20 H20A . . 121.7 ?
C2 P1 C10 . . 102.03(14) ?
C2 P1 C1 . . 103.91(14) ?
C10 P1 C1 . . 104.25(14) ?
C2 P1 Cu1 . . 102.51(10) ?
C10 P1 Cu1 . . 100.94(10) ?
C1 P1 Cu1 . . 138.39(11) ?
C26 P2 C1 . . 106.91(15) ?
C26 P2 C18 . . 104.33(14) ?
C1 P2 C18 . . 104.21(14) ?
C26 P2 Cu2 . . 103.23(11) ?
C1 P2 Cu2 . . 134.53(11) ?
C18 P2 Cu2 . . 100.28(11) ?
N5 Cu1 P1 . . 143.42(8) ?
N5 Cu1 N1 . . 120.50(10) ?
P1 Cu1 N1 . . 86.51(7) ?
N5 Cu1 N2 . . 103.41(11) ?
P1 Cu1 N2 . . 86.81(7) ?
N1 Cu1 N2 . . 110.92(9) ?
N6 Cu2 P2 . . 149.43(9) ?
N6 Cu2 N4 . . 115.23(11) ?
P2 Cu2 N4 . . 84.69(8) ?
N6 Cu2 N3 . . 105.51(11) ?
P2 Cu2 N3 . . 85.45(7) ?
N4 Cu2 N3 . . 113.05(9) ?
B2 Sn1 B1 . . 44.81(13) ?
B2 Sn1 B3 . . 45.00(12) ?
B1 Sn1 B3 . . 75.06(13) ?
B2 Sn1 B4 . . 74.71(13) ?
B1 Sn1 B4 . . 72.66(12) ?
B3 Sn1 B4 . . 44.04(13) ?
B2 Sn1 C38 . . 72.13(12) ?
B1 Sn1 C38 . . 41.72(11) ?
B3 Sn1 C38 . . 71.42(13) ?
B4 Sn1 C38 . . 40.85(12) ?
B13 Sn2 B12 . . 45.61(14) ?
B13 Sn2 B14 . . 44.58(13) ?
B12 Sn2 B14 . . 75.27(14) ?
B13 Sn2 B11 . . 75.33(14) ?
B12 Sn2 B11 . . 44.45(13) ?
B14 Sn2 B11 . . 72.67(14) ?
B13 Sn2 C41 . . 72.08(13) ?
B12 Sn2 C41 . . 71.90(13) ?
B14 Sn2 C41 . . 41.29(13) ?
B11 Sn2 C41 . . 41.18(13) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C7 C2 C3 C4 . . . . 1.8(4) ?
P1 C2 C3 C4 . . . . -177.6(2) ?
C7 C2 C3 N1 . . . . -178.6(3) ?
P1 C2 C3 N1 . . . . 2.0(4) ?
C2 C3 C4 C5 . . . . -1.9(5) ?
N1 C3 C4 C5 . . . . 178.5(3) ?
C3 C4 C5 C6 . . . . 0.8(5) ?
C4 C5 C6 C7 . . . . 0.5(5) ?
C5 C6 C7 C2 . . . . -0.6(5) ?
C3 C2 C7 C6 . . . . -0.5(4) ?
P1 C2 C7 C6 . . . . 178.8(2) ?
C15 C10 C11 C12 . . . . 0.0(5) ?
P1 C10 C11 C12 . . . . 178.5(2) ?
C15 C10 C11 N2 . . . . 178.4(3) ?
P1 C10 C11 N2 . . . . -3.1(4) ?
C10 C11 C12 C13 . . . . -1.7(5) ?
N2 C11 C12 C13 . . . . 179.9(3) ?
C11 C12 C13 C14 . . . . 2.5(5) ?
C12 C13 C14 C15 . . . . -1.5(5) ?
C13 C14 C15 C10 . . . . -0.2(5) ?
C11 C10 C15 C14 . . . . 1.0(5) ?
P1 C10 C15 C14 . . . . -177.5(2) ?
C23 C18 C19 C20 . . . . -1.9(5) ?
P2 C18 C19 C20 . . . . -177.2(2) ?
C23 C18 C19 N3 . . . . 177.2(3) ?
P2 C18 C19 N3 . . . . 1.8(4) ?
C18 C19 C20 C21 . . . . 2.1(5) ?
N3 C19 C20 C21 . . . . -176.9(3) ?
C19 C20 C21 C22 . . . . -0.6(5) ?
C20 C21 C22 C23 . . . . -1.2(5) ?
C19 C18 C23 C22 . . . . 0.1(5) ?
P2 C18 C23 C22 . . . . 175.3(2) ?
C21 C22 C23 C18 . . . . 1.5(5) ?
C31 C26 C27 C28 . . . . -0.5(4) ?
P2 C26 C27 C28 . . . . -176.5(2) ?
C31 C26 C27 N4 . . . . -178.2(3) ?
P2 C26 C27 N4 . . . . 5.8(4) ?
C26 C27 C28 C29 . . . . 0.4(5) ?
N4 C27 C28 C29 . . . . 178.1(3) ?
C27 C28 C29 C30 . . . . -0.5(5) ?
C28 C29 C30 C31 . . . . 0.7(5) ?
C29 C30 C31 C26 . . . . -0.8(5) ?
C27 C26 C31 C30 . . . . 0.6(4) ?
P2 C26 C31 C30 . . . . 176.4(2) ?
C4 C3 N1 C9 . . . . 58.7(4) ?
C2 C3 N1 C9 . . . . -120.9(3) ?
C4 C3 N1 C8 . . . . -60.6(3) ?
C2 C3 N1 C8 . . . . 119.8(3) ?
C4 C3 N1 Cu1 . . . . -176.2(2) ?
C2 C3 N1 Cu1 . . . . 4.2(3) ?
C12 C11 N2 C16 . . . . -40.4(4) ?
C10 C11 N2 C16 . . . . 141.3(3) ?
C12 C11 N2 C17 . . . . 80.0(3) ?
C10 C11 N2 C17 . . . . -98.4(3) ?
C12 C11 N2 Cu1 . . . . -167.1(2) ?
C10 C11 N2 Cu1 . . . . 14.6(3) ?
C20 C19 N3 C24 . . . . 33.1(4) ?
C18 C19 N3 C24 . . . . -145.9(3) ?
C20 C19 N3 C25 . . . . -89.3(4) ?
C18 C19 N3 C25 . . . . 91.7(3) ?
C20 C19 N3 Cu2 . . . . 158.4(3) ?
C18 C19 N3 Cu2 . . . . -20.6(3) ?
C28 C27 N4 C32 . . . . -77.5(4) ?
C26 C27 N4 C32 . . . . 100.2(3) ?
C28 C27 N4 C33 . . . . 43.7(4) ?
C26 C27 N4 C33 . . . . -138.6(3) ?
C28 C27 N4 Cu2 . . . . 163.4(2) ?
C26 C27 N4 Cu2 . . . . -18.9(3) ?
C35 C34 N5 Cu1 . . . . -120.(40) ?
C37 C36 N6 Cu2 . . . . 15.(18) ?
B5 C38 B1 B7 . . . . -1.5(4) ?
B6 C38 B1 B7 . . . . -39.5(3) ?
B4 C38 B1 B7 . . . . 66.6(3) ?
Sn1 C38 B1 B7 . . . . 119.9(2) ?
B5 C38 B1 B6 . . . . 38.0(3) ?
B4 C38 B1 B6 . . . . 106.1(3) ?
Sn1 C38 B1 B6 . . . . 159.4(2) ?
B5 C38 B1 B2 . . . . -63.8(3) ?
B6 C38 B1 B2 . . . . -101.8(3) ?
B4 C38 B1 B2 . . . . 4.3(4) ?
Sn1 C38 B1 B2 . . . . 57.6(2) ?
B5 C38 B1 Sn1 . . . . -121.4(3) ?
B6 C38 B1 Sn1 . . . . -159.4(2) ?
B4 C38 B1 Sn1 . . . . -53.3(2) ?
C38 B1 B2 B8 . . . . 59.6(3) ?
B7 B1 B2 B8 . . . . -37.9(2) ?
B6 B1 B2 B8 . . . . -1.2(3) ?
Sn1 B1 B2 B8 . . . . 119.5(2) ?
C38 B1 B2 B7 . . . . 97.5(3) ?
B6 B1 B2 B7 . . . . 36.7(2) ?
Sn1 B1 B2 B7 . . . . 157.5(2) ?
C38 B1 B2 B3 . . . . -2.2(3) ?
B7 B1 B2 B3 . . . . -99.7(3) ?
B6 B1 B2 B3 . . . . -63.0(3) ?
Sn1 B1 B2 B3 . . . . 57.7(2) ?
C38 B1 B2 Sn1 . . . . -59.9(2) ?
B7 B1 B2 Sn1 . . . . -157.5(2) ?
B6 B1 B2 Sn1 . . . . -120.7(2) ?
B8 B2 B3 B9 . . . . -37.7(3) ?
B7 B2 B3 B9 . . . . 0.5(4) ?
B1 B2 B3 B9 . . . . 61.7(3) ?
Sn1 B2 B3 B9 . . . . 119.4(3) ?
B7 B2 B3 B8 . . . . 38.2(3) ?
B1 B2 B3 B8 . . . . 99.4(3) ?
Sn1 B2 B3 B8 . . . . 157.0(2) ?
B8 B2 B3 B4 . . . . -99.8(3) ?
B7 B2 B3 B4 . . . . -61.6(3) ?
B1 B2 B3 B4 . . . . -0.4(3) ?
Sn1 B2 B3 B4 . . . . 57.3(2) ?
B8 B2 B3 Sn1 . . . . -157.0(2) ?
B7 B2 B3 Sn1 . . . . -118.9(2) ?
B1 B2 B3 Sn1 . . . . -57.7(2) ?
B6 C38 B4 B5 . . . . -37.2(3) ?
B1 C38 B4 B5 . . . . -106.3(3) ?
Sn1 C38 B4 B5 . . . . -158.9(2) ?
B5 C38 B4 B9 . . . . 39.5(3) ?
B6 C38 B4 B9 . . . . 2.3(4) ?
B1 C38 B4 B9 . . . . -66.7(3) ?
Sn1 C38 B4 B9 . . . . -119.3(2) ?
B5 C38 B4 B3 . . . . 101.6(3) ?
B6 C38 B4 B3 . . . . 64.4(3) ?
B1 C38 B4 B3 . . . . -4.6(4) ?
Sn1 C38 B4 B3 . . . . -57.2(2) ?
B5 C38 B4 Sn1 . . . . 158.9(2) ?
B6 C38 B4 Sn1 . . . . 121.6(3) ?
B1 C38 B4 Sn1 . . . . 52.6(2) ?
B9 B3 B4 C38 . . . . -98.3(3) ?
B8 B3 B4 C38 . . . . -58.7(3) ?
B2 B3 B4 C38 . . . . 3.0(3) ?
Sn1 B3 B4 C38 . . . . 59.0(2) ?
B9 B3 B4 B5 . . . . -36.1(3) ?
B8 B3 B4 B5 . . . . 3.4(4) ?
B2 B3 B4 B5 . . . . 65.2(3) ?
Sn1 B3 B4 B5 . . . . 121.2(2) ?
B8 B3 B4 B9 . . . . 39.6(2) ?
B2 B3 B4 B9 . . . . 101.3(3) ?
Sn1 B3 B4 B9 . . . . 157.4(2) ?
B9 B3 B4 Sn1 . . . . -157.4(2) ?
B8 B3 B4 Sn1 . . . . -117.8(2) ?
B2 B3 B4 Sn1 . . . . -56.1(2) ?
B6 C38 B5 B4 . . . . 141.8(3) ?
B1 C38 B5 B4 . . . . 104.1(3) ?
Sn1 C38 B5 B4 . . . . 24.7(3) ?
B6 C38 B5 B9 . . . . 102.0(3) ?
B4 C38 B5 B9 . . . . -39.8(2) ?
B1 C38 B5 B9 . . . . 64.3(3) ?
Sn1 C38 B5 B9 . . . . -15.0(4) ?
B4 C38 B5 B6 . . . . -141.8(3) ?
B1 C38 B5 B6 . . . . -37.7(3) ?
Sn1 C38 B5 B6 . . . . -117.1(3) ?
B6 C38 B5 B10 . . . . 39.3(3) ?
B4 C38 B5 B10 . . . . -102.5(3) ?
B1 C38 B5 B10 . . . . 1.6(4) ?
Sn1 C38 B5 B10 . . . . -77.8(3) ?
B9 B4 B5 C38 . . . . -135.2(3) ?
B3 B4 B5 C38 . . . . -99.6(3) ?
Sn1 B4 B5 C38 . . . . -24.5(3) ?
C38 B4 B5 B9 . . . . 135.2(3) ?
B3 B4 B5 B9 . . . . 35.6(3) ?
Sn1 B4 B5 B9 . . . . 110.7(3) ?
C38 B4 B5 B6 . . . . 33.6(3) ?
B9 B4 B5 B6 . . . . -101.6(3) ?
B3 B4 B5 B6 . . . . -65.9(4) ?
Sn1 B4 B5 B6 . . . . 9.1(4) ?
C38 B4 B5 B10 . . . . 97.4(3) ?
B9 B4 B5 B10 . . . . -37.8(3) ?
B3 B4 B5 B10 . . . . -2.2(4) ?
Sn1 B4 B5 B10 . . . . 72.9(4) ?
B5 C38 B6 B7 . . . . -101.8(3) ?
B4 C38 B6 B7 . . . . -65.2(3) ?
B1 C38 B6 B7 . . . . 39.4(3) ?
Sn1 C38 B6 B7 . . . . 15.5(4) ?
B5 C38 B6 B1 . . . . -141.2(3) ?
B4 C38 B6 B1 . . . . -104.6(3) ?
Sn1 C38 B6 B1 . . . . -23.9(3) ?
B4 C38 B6 B5 . . . . 36.6(3) ?
B1 C38 B6 B5 . . . . 141.2(3) ?
Sn1 C38 B6 B5 . . . . 117.3(3) ?
B5 C38 B6 B10 . . . . -39.1(3) ?
B4 C38 B6 B10 . . . . -2.5(4) ?
B1 C38 B6 B10 . . . . 102.1(3) ?
Sn1 C38 B6 B10 . . . . 78.2(3) ?
B7 B1 B6 C38 . . . . 134.7(3) ?
B2 B1 B6 C38 . . . . 98.1(3) ?
Sn1 B1 B6 C38 . . . . 23.9(3) ?
C38 B1 B6 B7 . . . . -134.7(3) ?
B2 B1 B6 B7 . . . . -36.6(2) ?
Sn1 B1 B6 B7 . . . . -110.9(3) ?
C38 B1 B6 B5 . . . . -34.0(3) ?
B7 B1 B6 B5 . . . . 100.7(3) ?
B2 B1 B6 B5 . . . . 64.1(3) ?
Sn1 B1 B6 B5 . . . . -10.2(4) ?
C38 B1 B6 B10 . . . . -97.3(3) ?
B7 B1 B6 B10 . . . . 37.4(2) ?
B2 B1 B6 B10 . . . . 0.8(3) ?
Sn1 B1 B6 B10 . . . . -73.4(3) ?
B4 B5 B6 C38 . . . . -34.1(3) ?
B9 B5 B6 C38 . . . . -98.3(3) ?
B10 B5 B6 C38 . . . . -135.3(3) ?
C38 B5 B6 B7 . . . . 97.4(3) ?
B4 B5 B6 B7 . . . . 63.3(4) ?
B9 B5 B6 B7 . . . . -0.9(4) ?
B10 B5 B6 B7 . . . . -37.9(3) ?
C38 B5 B6 B1 . . . . 34.6(3) ?
B4 B5 B6 B1 . . . . 0.5(4) ?
B9 B5 B6 B1 . . . . -63.7(4) ?
B10 B5 B6 B1 . . . . -100.7(3) ?
C38 B5 B6 B10 . . . . 135.3(3) ?
B4 B5 B6 B10 . . . . 101.2(3) ?
B9 B5 B6 B10 . . . . 37.0(3) ?
C38 B1 B7 B6 . . . . 38.3(2) ?
B2 B1 B7 B6 . . . . 139.1(3) ?
Sn1 B1 B7 B6 . . . . 114.4(3) ?
C38 B1 B7 B10 . . . . 0.8(3) ?
B6 B1 B7 B10 . . . . -37.6(3) ?
B2 B1 B7 B10 . . . . 101.5(3) ?
Sn1 B1 B7 B10 . . . . 76.8(3) ?
C38 B1 B7 B8 . . . . -62.6(3) ?
B6 B1 B7 B8 . . . . -100.9(3) ?
B2 B1 B7 B8 . . . . 38.2(2) ?
Sn1 B1 B7 B8 . . . . 13.5(4) ?
C38 B1 B7 B2 . . . . -100.8(3) ?
B6 B1 B7 B2 . . . . -139.1(3) ?
Sn1 B1 B7 B2 . . . . -24.7(2) ?
C38 B6 B7 B1 . . . . -39.5(2) ?
B5 B6 B7 B1 . . . . -100.4(3) ?
B10 B6 B7 B1 . . . . -138.2(3) ?
C38 B6 B7 B10 . . . . 98.7(3) ?
B1 B6 B7 B10 . . . . 138.2(3) ?
B5 B6 B7 B10 . . . . 37.8(3) ?
C38 B6 B7 B8 . . . . 62.0(3) ?
B1 B6 B7 B8 . . . . 101.4(3) ?
B5 B6 B7 B8 . . . . 1.0(4) ?
B10 B6 B7 B8 . . . . -36.8(3) ?
C38 B6 B7 B2 . . . . -1.5(4) ?
B1 B6 B7 B2 . . . . 37.9(3) ?
B5 B6 B7 B2 . . . . -62.5(4) ?
B10 B6 B7 B2 . . . . -100.3(3) ?
B8 B2 B7 B1 . . . . 137.2(3) ?
B3 B2 B7 B1 . . . . 99.5(3) ?
Sn1 B2 B7 B1 . . . . 24.9(2) ?
B8 B2 B7 B6 . . . . 99.8(3) ?
B1 B2 B7 B6 . . . . -37.4(3) ?
B3 B2 B7 B6 . . . . 62.2(3) ?
Sn1 B2 B7 B6 . . . . -12.4(4) ?
B8 B2 B7 B10 . . . . 35.6(3) ?
B1 B2 B7 B10 . . . . -101.6(3) ?
B3 B2 B7 B10 . . . . -2.1(4) ?
Sn1 B2 B7 B10 . . . . -76.7(3) ?
B1 B2 B7 B8 . . . . -137.2(3) ?
B3 B2 B7 B8 . . . . -37.6(2) ?
Sn1 B2 B7 B8 . . . . -112.2(3) ?
B7 B2 B8 B3 . . . . -137.0(3) ?
B1 B2 B8 B3 . . . . -99.9(3) ?
Sn1 B2 B8 B3 . . . . -25.6(2) ?
B7 B2 B8 B10 . . . . -36.0(2) ?
B1 B2 B8 B10 . . . . 1.1(3) ?
B3 B2 B8 B10 . . . . 101.0(3) ?
Sn1 B2 B8 B10 . . . . 75.4(3) ?
B1 B2 B8 B7 . . . . 37.1(2) ?
B3 B2 B8 B7 . . . . 137.0(3) ?
Sn1 B2 B8 B7 . . . . 111.4(3) ?
B7 B2 B8 B9 . . . . -99.5(3) ?
B1 B2 B8 B9 . . . . -62.4(3) ?
B3 B2 B8 B9 . . . . 37.4(3) ?
Sn1 B2 B8 B9 . . . . 11.9(4) ?
B9 B3 B8 B2 . . . . 138.2(3) ?
B4 B3 B8 B2 . . . . 99.4(3) ?
Sn1 B3 B8 B2 . . . . 24.8(2) ?
B9 B3 B8 B10 . . . . 35.5(3) ?
B4 B3 B8 B10 . . . . -3.4(4) ?
B2 B3 B8 B10 . . . . -102.7(3) ?
Sn1 B3 B8 B10 . . . . -78.0(3) ?
B9 B3 B8 B7 . . . . 99.4(3) ?
B4 B3 B8 B7 . . . . 60.5(3) ?
B2 B3 B8 B7 . . . . -38.8(2) ?
Sn1 B3 B8 B7 . . . . -14.1(4) ?
B4 B3 B8 B9 . . . . -38.8(3) ?
B2 B3 B8 B9 . . . . -138.2(3) ?
Sn1 B3 B8 B9 . . . . -113.4(3) ?
B1 B7 B8 B2 . . . . -39.2(2) ?
B6 B7 B8 B2 . . . . -103.3(3) ?
B10 B7 B8 B2 . . . . -140.3(3) ?
B1 B7 B8 B3 . . . . 0.4(4) ?
B6 B7 B8 B3 . . . . -63.6(3) ?
B10 B7 B8 B3 . . . . -100.6(3) ?
B2 B7 B8 B3 . . . . 39.7(2) ?
B1 B7 B8 B10 . . . . 101.1(3) ?
B6 B7 B8 B10 . . . . 37.0(3) ?
B2 B7 B8 B10 . . . . 140.3(3) ?
B1 B7 B8 B9 . . . . 63.4(3) ?
B6 B7 B8 B9 . . . . -0.7(4) ?
B10 B7 B8 B9 . . . . -37.7(3) ?
B2 B7 B8 B9 . . . . 102.6(3) ?
C38 B5 B9 B4 . . . . 39.2(2) ?
B6 B5 B9 B4 . . . . 100.7(3) ?
B10 B5 B9 B4 . . . . 137.8(3) ?
C38 B5 B9 B3 . . . . 2.4(3) ?
B4 B5 B9 B3 . . . . -36.8(2) ?
B6 B5 B9 B3 . . . . 63.9(3) ?
B10 B5 B9 B3 . . . . 101.0(3) ?
C38 B5 B9 B10 . . . . -98.6(3) ?
B4 B5 B9 B10 . . . . -137.8(3) ?
B6 B5 B9 B10 . . . . -37.1(3) ?
C38 B5 B9 B8 . . . . -61.1(3) ?
B4 B5 B9 B8 . . . . -100.3(3) ?
B6 B5 B9 B8 . . . . 0.4(4) ?
B10 B5 B9 B8 . . . . 37.5(3) ?
C38 B4 B9 B5 . . . . -38.8(2) ?
B3 B4 B9 B5 . . . . -140.0(3) ?
Sn1 B4 B9 B5 . . . . -115.1(3) ?
C38 B4 B9 B3 . . . . 101.3(3) ?
B5 B4 B9 B3 . . . . 140.0(3) ?
Sn1 B4 B9 B3 . . . . 24.9(2) ?
C38 B4 B9 B10 . . . . -1.1(3) ?
B5 B4 B9 B10 . . . . 37.7(3) ?
B3 B4 B9 B10 . . . . -102.4(3) ?
Sn1 B4 B9 B10 . . . . -77.5(3) ?
C38 B4 B9 B8 . . . . 61.8(3) ?
B5 B4 B9 B8 . . . . 100.6(3) ?
B3 B4 B9 B8 . . . . -39.4(2) ?
Sn1 B4 B9 B8 . . . . -14.5(4) ?
B8 B3 B9 B5 . . . . -99.8(3) ?
B4 B3 B9 B5 . . . . 35.7(2) ?
B2 B3 B9 B5 . . . . -63.0(3) ?
Sn1 B3 B9 B5 . . . . 10.3(3) ?
B8 B3 B9 B4 . . . . -135.6(3) ?
B2 B3 B9 B4 . . . . -98.7(3) ?
Sn1 B3 B9 B4 . . . . -25.4(2) ?
B8 B3 B9 B10 . . . . -35.6(3) ?
B4 B3 B9 B10 . . . . 100.0(3) ?
B2 B3 B9 B10 . . . . 1.3(4) ?
Sn1 B3 B9 B10 . . . . 74.6(3) ?
B4 B3 B9 B8 . . . . 135.6(3) ?
B2 B3 B9 B8 . . . . 36.8(3) ?
Sn1 B3 B9 B8 . . . . 110.2(3) ?
B2 B8 B9 B5 . . . . 64.0(3) ?
B3 B8 B9 B5 . . . . 102.5(3) ?
B10 B8 B9 B5 . . . . -37.8(3) ?
B7 B8 B9 B5 . . . . 0.2(4) ?
B2 B8 B9 B4 . . . . 1.7(3) ?
B3 B8 B9 B4 . . . . 40.3(3) ?
B10 B8 B9 B4 . . . . -100.1(3) ?
B7 B8 B9 B4 . . . . -62.1(3) ?
B2 B8 B9 B3 . . . . -38.6(3) ?
B10 B8 B9 B3 . . . . -140.3(3) ?
B7 B8 B9 B3 . . . . -102.4(3) ?
B2 B8 B9 B10 . . . . 101.8(3) ?
B3 B8 B9 B10 . . . . 140.3(3) ?
B7 B8 B9 B10 . . . . 38.0(3) ?
B5 B9 B10 B8 . . . . 137.8(3) ?
B4 B9 B10 B8 . . . . 100.8(3) ?
B3 B9 B10 B8 . . . . 35.6(3) ?
B4 B9 B10 B5 . . . . -37.1(3) ?
B3 B9 B10 B5 . . . . -102.2(3) ?
B8 B9 B10 B5 . . . . -137.8(3) ?
B5 B9 B10 B6 . . . . 36.7(3) ?
B4 B9 B10 B6 . . . . -0.3(4) ?
B3 B9 B10 B6 . . . . -65.5(3) ?
B8 B9 B10 B6 . . . . -101.1(3) ?
B5 B9 B10 B7 . . . . 99.7(3) ?
B4 B9 B10 B7 . . . . 62.6(3) ?
B3 B9 B10 B7 . . . . -2.6(4) ?
B8 B9 B10 B7 . . . . -38.2(3) ?
B2 B8 B10 B9 . . . . -101.4(3) ?
B3 B8 B10 B9 . . . . -35.4(3) ?
B7 B8 B10 B9 . . . . -137.4(3) ?
B2 B8 B10 B5 . . . . -63.9(3) ?
B3 B8 B10 B5 . . . . 2.1(4) ?
B7 B8 B10 B5 . . . . -99.9(3) ?
B9 B8 B10 B5 . . . . 37.5(3) ?
B2 B8 B10 B6 . . . . -0.6(3) ?
B3 B8 B10 B6 . . . . 65.4(3) ?
B7 B8 B10 B6 . . . . -36.6(2) ?
B9 B8 B10 B6 . . . . 100.8(3) ?
B2 B8 B10 B7 . . . . 36.0(2) ?
B3 B8 B10 B7 . . . . 102.0(3) ?
B9 B8 B10 B7 . . . . 137.4(3) ?
C38 B5 B10 B9 . . . . 100.4(3) ?
B4 B5 B10 B9 . . . . 38.0(3) ?
B6 B5 B10 B9 . . . . 138.8(3) ?
C38 B5 B10 B8 . . . . 62.4(3) ?
B4 B5 B10 B8 . . . . 0.1(4) ?
B9 B5 B10 B8 . . . . -38.0(3) ?
B6 B5 B10 B8 . . . . 100.8(3) ?
C38 B5 B10 B6 . . . . -38.4(3) ?
B4 B5 B10 B6 . . . . -100.8(3) ?
B9 B5 B10 B6 . . . . -138.8(3) ?
C38 B5 B10 B7 . . . . -1.0(4) ?
B4 B5 B10 B7 . . . . -63.4(3) ?
B9 B5 B10 B7 . . . . -101.4(3) ?
B6 B5 B10 B7 . . . . 37.4(3) ?
C38 B6 B10 B9 . . . . 1.6(4) ?
B7 B6 B10 B9 . . . . 101.1(3) ?
B1 B6 B10 B9 . . . . 64.0(3) ?
B5 B6 B10 B9 . . . . -36.6(3) ?
C38 B6 B10 B8 . . . . -62.5(3) ?
B7 B6 B10 B8 . . . . 36.9(2) ?
B1 B6 B10 B8 . . . . -0.1(3) ?
B5 B6 B10 B8 . . . . -100.7(3) ?
C38 B6 B10 B5 . . . . 38.2(3) ?
B7 B6 B10 B5 . . . . 137.7(3) ?
B1 B6 B10 B5 . . . . 100.6(3) ?
C38 B6 B10 B7 . . . . -99.4(3) ?
B1 B6 B10 B7 . . . . -37.1(2) ?
B5 B6 B10 B7 . . . . -137.7(3) ?
B1 B7 B10 B9 . . . . -62.7(4) ?
B6 B7 B10 B9 . . . . -100.4(3) ?
B8 B7 B10 B9 . . . . 38.4(3) ?
B2 B7 B10 B9 . . . . 2.9(4) ?
B1 B7 B10 B8 . . . . -101.1(3) ?
B6 B7 B10 B8 . . . . -138.8(3) ?
B2 B7 B10 B8 . . . . -35.5(3) ?
B1 B7 B10 B5 . . . . 0.1(4) ?
B6 B7 B10 B5 . . . . -37.6(3) ?
B8 B7 B10 B5 . . . . 101.2(3) ?
B2 B7 B10 B5 . . . . 65.7(3) ?
B1 B7 B10 B6 . . . . 37.7(3) ?
B8 B7 B10 B6 . . . . 138.8(3) ?
B2 B7 B10 B6 . . . . 103.3(3) ?
B15 C41 B11 B16 . . . . 36.8(3) ?
B14 C41 B11 B16 . . . . 105.5(3) ?
Sn2 C41 B11 B16 . . . . 157.8(2) ?
B16 C41 B11 B17 . . . . -39.2(3) ?
B15 C41 B11 B17 . . . . -2.4(4) ?
B14 C41 B11 B17 . . . . 66.3(3) ?
Sn2 C41 B11 B17 . . . . 118.6(3) ?
B16 C41 B11 B12 . . . . -101.2(3) ?
B15 C41 B11 B12 . . . . -64.4(4) ?
B14 C41 B11 B12 . . . . 4.3(4) ?
Sn2 C41 B11 B12 . . . . 56.6(2) ?
B16 C41 B11 Sn2 . . . . -157.8(2) ?
B15 C41 B11 Sn2 . . . . -121.0(3) ?
B14 C41 B11 Sn2 . . . . -52.3(2) ?
C41 B11 B12 B18 . . . . 58.6(3) ?
B16 B11 B12 B18 . . . . -3.0(4) ?
B17 B11 B12 B18 . . . . -39.1(3) ?
Sn2 B11 B12 B18 . . . . 117.7(2) ?
C41 B11 B12 B17 . . . . 97.7(3) ?
B16 B11 B12 B17 . . . . 36.1(3) ?
Sn2 B11 B12 B17 . . . . 156.7(2) ?
C41 B11 B12 B13 . . . . -2.3(3) ?
B16 B11 B12 B13 . . . . -63.9(3) ?
B17 B11 B12 B13 . . . . -100.1(3) ?
Sn2 B11 B12 B13 . . . . 56.7(2) ?
C41 B11 B12 Sn2 . . . . -59.0(2) ?
B16 B11 B12 Sn2 . . . . -120.6(3) ?
B17 B11 B12 Sn2 . . . . -156.7(2) ?
B17 B12 B13 B18 . . . . 37.2(2) ?
B11 B12 B13 B18 . . . . 99.4(3) ?
Sn2 B12 B13 B18 . . . . 157.3(2) ?
B18 B12 B13 B19 . . . . -37.7(2) ?
B17 B12 B13 B19 . . . . -0.5(3) ?
B11 B12 B13 B19 . . . . 61.6(3) ?
Sn2 B12 B13 B19 . . . . 119.6(2) ?
B18 B12 B13 B14 . . . . -99.5(3) ?
B17 B12 B13 B14 . . . . -62.4(3) ?
B11 B12 B13 B14 . . . . -0.2(3) ?
Sn2 B12 B13 B14 . . . . 57.8(2) ?
B18 B12 B13 Sn2 . . . . -157.3(2) ?
B17 B12 B13 Sn2 . . . . -120.1(2) ?
B11 B12 B13 Sn2 . . . . -58.0(2) ?
B16 C41 B14 B19 . . . . 2.4(4) ?
B15 C41 B14 B19 . . . . 40.1(3) ?
B11 C41 B14 B19 . . . . -66.4(3) ?
Sn2 C41 B14 B19 . . . . -119.1(3) ?
B16 C41 B14 B15 . . . . -37.6(3) ?
B11 C41 B14 B15 . . . . -106.5(3) ?
Sn2 C41 B14 B15 . . . . -159.2(2) ?
B16 C41 B14 B13 . . . . 64.4(4) ?
B15 C41 B14 B13 . . . . 102.1(3) ?
B11 C41 B14 B13 . . . . -4.4(4) ?
Sn2 C41 B14 B13 . . . . -57.1(2) ?
B16 C41 B14 Sn2 . . . . 121.6(3) ?
B15 C41 B14 Sn2 . . . . 159.2(2) ?
B11 C41 B14 Sn2 . . . . 52.7(2) ?
B18 B13 B14 C41 . . . . -58.9(3) ?
B19 B13 B14 C41 . . . . -98.1(3) ?
B12 B13 B14 C41 . . . . 2.7(3) ?
Sn2 B13 B14 C41 . . . . 59.7(2) ?
B18 B13 B14 B19 . . . . 39.2(3) ?
B12 B13 B14 B19 . . . . 100.7(3) ?
Sn2 B13 B14 B19 . . . . 157.8(2) ?
B18 B13 B14 B15 . . . . 3.5(4) ?
B19 B13 B14 B15 . . . . -35.8(3) ?
B12 B13 B14 B15 . . . . 65.0(3) ?
Sn2 B13 B14 B15 . . . . 122.1(3) ?
B18 B13 B14 Sn2 . . . . -118.6(2) ?
B19 B13 B14 Sn2 . . . . -157.8(2) ?
B12 B13 B14 Sn2 . . . . -57.07(19) ?
B16 C41 B15 B14 . . . . 140.9(3) ?
B11 C41 B15 B14 . . . . 104.2(3) ?
Sn2 C41 B15 B14 . . . . 23.9(3) ?
B16 C41 B15 B20 . . . . 39.6(3) ?
B14 C41 B15 B20 . . . . -101.3(3) ?
B11 C41 B15 B20 . . . . 2.8(4) ?
Sn2 C41 B15 B20 . . . . -77.4(3) ?
B16 C41 B15 B19 . . . . 101.5(3) ?
B14 C41 B15 B19 . . . . -39.4(3) ?
B11 C41 B15 B19 . . . . 64.7(4) ?
Sn2 C41 B15 B19 . . . . -15.5(4) ?
B14 C41 B15 B16 . . . . -140.9(3) ?
B11 C41 B15 B16 . . . . -36.8(3) ?
Sn2 C41 B15 B16 . . . . -117.0(3) ?
B19 B14 B15 C41 . . . . -134.6(3) ?
B13 B14 B15 C41 . . . . -99.4(3) ?
Sn2 B14 B15 C41 . . . . -24.5(3) ?
C41 B14 B15 B20 . . . . 97.2(3) ?
B19 B14 B15 B20 . . . . -37.3(3) ?
B13 B14 B15 B20 . . . . -2.1(4) ?
Sn2 B14 B15 B20 . . . . 72.7(3) ?
C41 B14 B15 B19 . . . . 134.6(3) ?
B13 B14 B15 B19 . . . . 35.2(3) ?
Sn2 B14 B15 B19 . . . . 110.0(3) ?
C41 B14 B15 B16 . . . . 34.2(3) ?
B19 B14 B15 B16 . . . . -100.3(3) ?
B13 B14 B15 B16 . . . . -65.1(3) ?
Sn2 B14 B15 B16 . . . . 9.7(4) ?
B15 C41 B16 B17 . . . . -102.6(3) ?
B14 C41 B16 B17 . . . . -65.2(4) ?
B11 C41 B16 B17 . . . . 39.5(3) ?
Sn2 C41 B16 B17 . . . . 13.6(4) ?
B15 C41 B16 B20 . . . . -39.7(3) ?
B14 C41 B16 B20 . . . . -2.2(4) ?
B11 C41 B16 B20 . . . . 102.5(3) ?
Sn2 C41 B16 B20 . . . . 76.5(3) ?
B15 C41 B16 B11 . . . . -142.1(3) ?
B14 C41 B16 B11 . . . . -104.7(3) ?
Sn2 C41 B16 B11 . . . . -25.9(3) ?
B14 C41 B16 B15 . . . . 37.4(3) ?
B11 C41 B16 B15 . . . . 142.1(3) ?
Sn2 C41 B16 B15 . . . . 116.2(3) ?
B17 B11 B16 C41 . . . . 135.1(3) ?
B12 B11 B16 C41 . . . . 99.1(3) ?
Sn2 B11 B16 C41 . . . . 25.6(3) ?
C41 B11 B16 B17 . . . . -135.1(3) ?
B12 B11 B16 B17 . . . . -35.9(3) ?
Sn2 B11 B16 B17 . . . . -109.5(3) ?
C41 B11 B16 B20 . . . . -96.9(3) ?
B17 B11 B16 B20 . . . . 38.2(3) ?
B12 B11 B16 B20 . . . . 2.2(4) ?
Sn2 B11 B16 B20 . . . . -71.3(4) ?
C41 B11 B16 B15 . . . . -33.5(3) ?
B17 B11 B16 B15 . . . . 101.6(3) ?
B12 B11 B16 B15 . . . . 65.6(3) ?
Sn2 B11 B16 B15 . . . . -7.9(4) ?
B14 B15 B16 C41 . . . . -34.4(3) ?
B20 B15 B16 C41 . . . . -134.6(3) ?
B19 B15 B16 C41 . . . . -97.0(3) ?
C41 B15 B16 B17 . . . . 97.3(3) ?
B14 B15 B16 B17 . . . . 62.9(3) ?
B20 B15 B16 B17 . . . . -37.2(3) ?
B19 B15 B16 B17 . . . . 0.3(4) ?
C41 B15 B16 B20 . . . . 134.6(3) ?
B14 B15 B16 B20 . . . . 100.1(3) ?
B19 B15 B16 B20 . . . . 37.5(3) ?
C41 B15 B16 B11 . . . . 33.6(3) ?
B14 B15 B16 B11 . . . . -0.8(4) ?
B20 B15 B16 B11 . . . . -101.0(3) ?
B19 B15 B16 B11 . . . . -63.5(3) ?
C41 B16 B17 B11 . . . . -38.9(3) ?
B20 B16 B17 B11 . . . . -137.5(3) ?
B15 B16 B17 B11 . . . . -100.6(3) ?
C41 B16 B17 B18 . . . . 61.4(3) ?
B20 B16 B17 B18 . . . . -37.2(3) ?
B11 B16 B17 B18 . . . . 100.3(3) ?
B15 B16 B17 B18 . . . . -0.2(4) ?
C41 B16 B17 B12 . . . . -1.7(4) ?
B20 B16 B17 B12 . . . . -100.4(3) ?
B11 B16 B17 B12 . . . . 37.2(3) ?
B15 B16 B17 B12 . . . . -63.4(4) ?
C41 B16 B17 B20 . . . . 98.6(3) ?
B11 B16 B17 B20 . . . . 137.5(3) ?
B15 B16 B17 B20 . . . . 37.0(3) ?
C41 B11 B17 B16 . . . . 38.5(3) ?
B12 B11 B17 B16 . . . . 139.6(3) ?
Sn2 B11 B17 B16 . . . . 114.5(3) ?
C41 B11 B17 B18 . . . . -62.0(3) ?
B16 B11 B17 B18 . . . . -100.6(3) ?
B12 B11 B17 B18 . . . . 39.0(3) ?
Sn2 B11 B17 B18 . . . . 13.9(4) ?
C41 B11 B17 B12 . . . . -101.0(3) ?
B16 B11 B17 B12 . . . . -139.6(3) ?
Sn2 B11 B17 B12 . . . . -25.1(3) ?
C41 B11 B17 B20 . . . . 0.8(4) ?
B16 B11 B17 B20 . . . . -37.7(3) ?
B12 B11 B17 B20 . . . . 101.9(3) ?
Sn2 B11 B17 B20 . . . . 76.8(3) ?
B18 B12 B17 B16 . . . . 99.2(3) ?
B11 B12 B17 B16 . . . . -36.6(3) ?
B13 B12 B17 B16 . . . . 62.9(3) ?
Sn2 B12 B17 B16 . . . . -10.3(4) ?
B18 B12 B17 B11 . . . . 135.8(3) ?
B13 B12 B17 B11 . . . . 99.5(3) ?
Sn2 B12 B17 B11 . . . . 26.3(3) ?
B11 B12 B17 B18 . . . . -135.8(3) ?
B13 B12 B17 B18 . . . . -36.3(2) ?
Sn2 B12 B17 B18 . . . . -109.5(3) ?
B18 B12 B17 B20 . . . . 35.5(3) ?
B11 B12 B17 B20 . . . . -100.3(3) ?
B13 B12 B17 B20 . . . . -0.8(3) ?
Sn2 B12 B17 B20 . . . . -74.0(3) ?
B19 B13 B18 B12 . . . . 137.8(3) ?
B14 B13 B18 B12 . . . . 99.3(3) ?
Sn2 B13 B18 B12 . . . . 24.8(3) ?
B14 B13 B18 B19 . . . . -38.5(3) ?
B12 B13 B18 B19 . . . . -137.8(3) ?
Sn2 B13 B18 B19 . . . . -113.0(3) ?
B19 B13 B18 B20 . . . . 35.1(3) ?
B14 B13 B18 B20 . . . . -3.5(4) ?
B12 B13 B18 B20 . . . . -102.7(3) ?
Sn2 B13 B18 B20 . . . . -77.9(3) ?
B19 B13 B18 B17 . . . . 99.6(3) ?
B14 B13 B18 B17 . . . . 61.1(3) ?
B12 B13 B18 B17 . . . . -38.2(3) ?
Sn2 B13 B18 B17 . . . . -13.3(4) ?
B17 B12 B18 B13 . . . . -138.2(3) ?
B11 B12 B18 B13 . . . . -99.5(3) ?
Sn2 B12 B18 B13 . . . . -24.5(3) ?
B17 B12 B18 B19 . . . . -100.0(3) ?
B11 B12 B18 B19 . . . . -61.3(3) ?
B13 B12 B18 B19 . . . . 38.2(3) ?
Sn2 B12 B18 B19 . . . . 13.7(4) ?
B17 B12 B18 B20 . . . . -36.1(3) ?
B11 B12 B18 B20 . . . . 2.6(4) ?
B13 B12 B18 B20 . . . . 102.1(3) ?
Sn2 B12 B18 B20 . . . . 77.6(3) ?
B11 B12 B18 B17 . . . . 38.7(3) ?
B13 B12 B18 B17 . . . . 138.2(3) ?
Sn2 B12 B18 B17 . . . . 113.7(3) ?
B16 B17 B18 B13 . . . . -63.7(3) ?
B11 B17 B18 B13 . . . . -0.5(4) ?
B12 B17 B18 B13 . . . . 39.3(3) ?
B20 B17 B18 B13 . . . . -101.0(3) ?
B16 B17 B18 B12 . . . . -103.0(3) ?
B11 B17 B18 B12 . . . . -39.8(3) ?
B20 B17 B18 B12 . . . . -140.3(3) ?
B16 B17 B18 B19 . . . . 0.1(3) ?
B11 B17 B18 B19 . . . . 63.3(3) ?
B12 B17 B18 B19 . . . . 103.2(3) ?
B20 B17 B18 B19 . . . . -37.2(2) ?
B16 B17 B18 B20 . . . . 37.3(3) ?
B11 B17 B18 B20 . . . . 100.5(3) ?
B12 B17 B18 B20 . . . . 140.3(3) ?
C41 B14 B19 B13 . . . . 101.3(3) ?
B15 B14 B19 B13 . . . . 140.6(3) ?
Sn2 B14 B19 B13 . . . . 24.2(3) ?
C41 B14 B19 B20 . . . . -1.6(4) ?
B15 B14 B19 B20 . . . . 37.7(3) ?
B13 B14 B19 B20 . . . . -102.9(3) ?
Sn2 B14 B19 B20 . . . . -78.7(3) ?
C41 B14 B19 B18 . . . . 62.1(3) ?
B15 B14 B19 B18 . . . . 101.4(3) ?
B13 B14 B19 B18 . . . . -39.3(3) ?
Sn2 B14 B19 B18 . . . . -15.1(4) ?
C41 B14 B19 B15 . . . . -39.3(3) ?
B13 B14 B19 B15 . . . . -140.6(3) ?
Sn2 B14 B19 B15 . . . . -116.4(3) ?
B18 B13 B19 B14 . . . . -135.7(3) ?
B12 B13 B19 B14 . . . . -98.7(3) ?
Sn2 B13 B19 B14 . . . . -24.9(3) ?
B18 B13 B19 B20 . . . . -35.3(3) ?
B14 B13 B19 B20 . . . . 100.4(3) ?
B12 B13 B19 B20 . . . . 1.7(3) ?
Sn2 B13 B19 B20 . . . . 75.5(3) ?
B14 B13 B19 B18 . . . . 135.7(3) ?
B12 B13 B19 B18 . . . . 37.0(2) ?
Sn2 B13 B19 B18 . . . . 110.9(3) ?
B18 B13 B19 B15 . . . . -99.8(3) ?
B14 B13 B19 B15 . . . . 36.0(3) ?
B12 B13 B19 B15 . . . . -62.8(3) ?
Sn2 B13 B19 B15 . . . . 11.1(4) ?
B13 B18 B19 B14 . . . . 40.3(3) ?
B12 B18 B19 B14 . . . . 0.7(4) ?
B20 B18 B19 B14 . . . . -100.8(3) ?
B17 B18 B19 B14 . . . . -63.4(3) ?
B12 B18 B19 B13 . . . . -39.5(3) ?
B20 B18 B19 B13 . . . . -141.1(3) ?
B17 B18 B19 B13 . . . . -103.6(3) ?
B13 B18 B19 B20 . . . . 141.1(3) ?
B12 B18 B19 B20 . . . . 101.6(3) ?
B17 B18 B19 B20 . . . . 37.4(3) ?
B13 B18 B19 B15 . . . . 103.7(3) ?
B12 B18 B19 B15 . . . . 64.2(3) ?
B20 B18 B19 B15 . . . . -37.4(3) ?
B17 B18 B19 B15 . . . . 0.1(3) ?
C41 B15 B19 B14 . . . . 39.1(3) ?
B20 B15 B19 B14 . . . . 137.8(3) ?
B16 B15 B19 B14 . . . . 100.2(3) ?
C41 B15 B19 B13 . . . . 2.4(4) ?
B14 B15 B19 B13 . . . . -36.7(3) ?
B20 B15 B19 B13 . . . . 101.1(3) ?
B16 B15 B19 B13 . . . . 63.5(4) ?
C41 B15 B19 B20 . . . . -98.7(3) ?
B14 B15 B19 B20 . . . . -137.8(3) ?
B16 B15 B19 B20 . . . . -37.6(3) ?
C41 B15 B19 B18 . . . . -61.3(3) ?
B14 B15 B19 B18 . . . . -100.4(3) ?
B20 B15 B19 B18 . . . . 37.4(3) ?
B16 B15 B19 B18 . . . . -0.2(4) ?
B14 B19 B20 B15 . . . . -37.7(3) ?
B13 B19 B20 B15 . . . . -103.3(3) ?
B18 B19 B20 B15 . . . . -138.4(3) ?
B14 B19 B20 B16 . . . . 0.3(4) ?
B13 B19 B20 B16 . . . . -65.4(3) ?
B18 B19 B20 B16 . . . . -100.5(3) ?
B15 B19 B20 B16 . . . . 37.9(3) ?
B14 B19 B20 B18 . . . . 100.7(3) ?
B13 B19 B20 B18 . . . . 35.1(2) ?
B15 B19 B20 B18 . . . . 138.4(3) ?
B14 B19 B20 B17 . . . . 63.5(3) ?
B13 B19 B20 B17 . . . . -2.2(3) ?
B18 B19 B20 B17 . . . . -37.3(2) ?
B15 B19 B20 B17 . . . . 101.1(3) ?
C41 B15 B20 B19 . . . . 98.7(3) ?
B14 B15 B20 B19 . . . . 37.3(3) ?
B16 B15 B20 B19 . . . . 137.7(3) ?
C41 B15 B20 B16 . . . . -38.9(3) ?
B14 B15 B20 B16 . . . . -100.4(3) ?
B19 B15 B20 B16 . . . . -137.7(3) ?
C41 B15 B20 B18 . . . . 61.4(4) ?
B14 B15 B20 B18 . . . . -0.1(4) ?
B19 B15 B20 B18 . . . . -37.3(3) ?
B16 B15 B20 B18 . . . . 100.3(3) ?
C41 B15 B20 B17 . . . . -2.1(4) ?
B14 B15 B20 B17 . . . . -63.6(4) ?
B19 B15 B20 B17 . . . . -100.9(3) ?
B16 B15 B20 B17 . . . . 36.8(3) ?
C41 B16 B20 B19 . . . . 1.1(4) ?
B17 B16 B20 B19 . . . . 100.9(3) ?
B11 B16 B20 B19 . . . . 62.8(4) ?
B15 B16 B20 B19 . . . . -38.0(3) ?
C41 B16 B20 B15 . . . . 39.1(3) ?
B17 B16 B20 B15 . . . . 138.8(3) ?
B11 B16 B20 B15 . . . . 100.8(3) ?
C41 B16 B20 B18 . . . . -62.3(4) ?
B17 B16 B20 B18 . . . . 37.4(3) ?
B11 B16 B20 B18 . . . . -0.7(4) ?
B15 B16 B20 B18 . . . . -101.4(3) ?
C41 B16 B20 B17 . . . . -99.7(3) ?
B11 B16 B20 B17 . . . . -38.1(3) ?
B15 B16 B20 B17 . . . . -138.8(3) ?
B13 B18 B20 B19 . . . . -35.1(3) ?
B12 B18 B20 B19 . . . . -102.3(3) ?
B17 B18 B20 B19 . . . . -138.3(3) ?
B13 B18 B20 B15 . . . . 2.3(4) ?
B12 B18 B20 B15 . . . . -64.9(4) ?
B19 B18 B20 B15 . . . . 37.4(3) ?
B17 B18 B20 B15 . . . . -100.9(3) ?
B13 B18 B20 B16 . . . . 65.9(4) ?
B12 B18 B20 B16 . . . . -1.2(4) ?
B19 B18 B20 B16 . . . . 101.1(3) ?
B17 B18 B20 B16 . . . . -37.3(3) ?
B13 B18 B20 B17 . . . . 103.2(3) ?
B12 B18 B20 B17 . . . . 36.1(3) ?
B19 B18 B20 B17 . . . . 138.3(3) ?
B16 B17 B20 B19 . . . . -100.8(3) ?
B11 B17 B20 B19 . . . . -63.0(3) ?
B18 B17 B20 B19 . . . . 37.3(2) ?
B12 B17 B20 B19 . . . . 1.8(4) ?
B16 B17 B20 B15 . . . . -37.0(3) ?
B11 B17 B20 B15 . . . . 0.8(4) ?
B18 B17 B20 B15 . . . . 101.1(3) ?
B12 B17 B20 B15 . . . . 65.6(3) ?
B11 B17 B20 B16 . . . . 37.8(3) ?
B18 B17 B20 B16 . . . . 138.1(3) ?
B12 B17 B20 B16 . . . . 102.6(3) ?
B16 B17 B20 B18 . . . . -138.1(3) ?
B11 B17 B20 B18 . . . . -100.3(3) ?
B12 B17 B20 B18 . . . . -35.5(2) ?
C7 C2 P1 C10 . . . . -81.9(3) ?
C3 C2 P1 C10 . . . . 97.4(2) ?
C7 C2 P1 C1 . . . . 26.2(3) ?
C3 C2 P1 C1 . . . . -154.4(2) ?
C7 C2 P1 Cu1 . . . . 173.8(2) ?
C3 C2 P1 Cu1 . . . . -6.8(2) ?
C15 C10 P1 C2 . . . . 63.2(3) ?
C11 C10 P1 C2 . . . . -115.3(3) ?
C15 C10 P1 C1 . . . . -44.8(3) ?
C11 C10 P1 C1 . . . . 136.8(2) ?
C15 C10 P1 Cu1 . . . . 168.6(2) ?
C11 C10 P1 Cu1 . . . . -9.8(3) ?
P2 C1 P1 C2 . . . . -168.87(16) ?
P2 C1 P1 C10 . . . . -62.34(19) ?
P2 C1 P1 Cu1 . . . . 63.2(2) ?
C31 C26 P2 C1 . . . . -20.1(3) ?
C27 C26 P2 C1 . . . . 155.8(2) ?
C31 C26 P2 C18 . . . . 90.0(3) ?
C27 C26 P2 C18 . . . . -94.2(2) ?
C31 C26 P2 Cu2 . . . . -165.6(2) ?
C27 C26 P2 Cu2 . . . . 10.2(2) ?
P1 C1 P2 C26 . . . . -67.62(19) ?
P1 C1 P2 C18 . . . . -177.73(16) ?
P1 C1 P2 Cu2 . . . . 61.8(2) ?
C23 C18 P2 C26 . . . . -50.6(3) ?
C19 C18 P2 C26 . . . . 124.6(3) ?
C23 C18 P2 C1 . . . . 61.4(3) ?
C19 C18 P2 C1 . . . . -123.4(3) ?
C23 C18 P2 Cu2 . . . . -157.3(2) ?
C19 C18 P2 Cu2 . . . . 18.0(3) ?
C34 N5 Cu1 P1 . . . . -72.5(17) ?
C34 N5 Cu1 N1 . . . . 155.0(16) ?
C34 N5 Cu1 N2 . . . . 30.5(16) ?
C2 P1 Cu1 N5 . . . . -133.89(17) ?
C10 P1 Cu1 N5 . . . . 121.01(18) ?
C1 P1 Cu1 N5 . . . . -5.5(2) ?
C2 P1 Cu1 N1 . . . . 6.56(12) ?
C10 P1 Cu1 N1 . . . . -98.53(12) ?
C1 P1 Cu1 N1 . . . . 134.93(17) ?
C2 P1 Cu1 N2 . . . . 117.77(12) ?
C10 P1 Cu1 N2 . . . . 12.67(12) ?
C1 P1 Cu1 N2 . . . . -113.86(18) ?
C3 N1 Cu1 N5 . . . . 147.09(19) ?
C9 N1 Cu1 N5 . . . . -88.7(2) ?
C8 N1 Cu1 N5 . . . . 28.8(2) ?
C3 N1 Cu1 P1 . . . . -6.79(18) ?
C9 N1 Cu1 P1 . . . . 117.47(19) ?
C8 N1 Cu1 P1 . . . . -125.10(17) ?
C3 N1 Cu1 N2 . . . . -92.03(19) ?
C9 N1 Cu1 N2 . . . . 32.2(2) ?
C8 N1 Cu1 N2 . . . . 149.65(17) ?
C11 N2 Cu1 N5 . . . . -160.85(19) ?
C16 N2 Cu1 N5 . . . . 71.3(2) ?
C17 N2 Cu1 N5 . . . . -44.8(2) ?
C11 N2 Cu1 P1 . . . . -16.40(18) ?
C16 N2 Cu1 P1 . . . . -144.2(2) ?
C17 N2 Cu1 P1 . . . . 99.69(17) ?
C11 N2 Cu1 N1 . . . . 68.6(2) ?
C16 N2 Cu1 N1 . . . . -59.2(2) ?
C17 N2 Cu1 N1 . . . . -175.28(17) ?
C36 N6 Cu2 P2 . . . . 28.3(14) ?
C36 N6 Cu2 N4 . . . . 154.9(13) ?
C36 N6 Cu2 N3 . . . . -79.6(13) ?
C26 P2 Cu2 N6 . . . . 118.52(19) ?
C1 P2 Cu2 N6 . . . . -12.1(2) ?
C18 P2 Cu2 N6 . . . . -133.96(19) ?
C26 P2 Cu2 N4 . . . . -14.66(11) ?
C1 P2 Cu2 N4 . . . . -145.24(15) ?
C18 P2 Cu2 N4 . . . . 92.85(12) ?
C26 P2 Cu2 N3 . . . . -128.36(12) ?
C1 P2 Cu2 N3 . . . . 101.07(15) ?
C18 P2 Cu2 N3 . . . . -20.84(12) ?
C27 N4 Cu2 N6 . . . . -136.13(19) ?
C32 N4 Cu2 N6 . . . . 104.1(2) ?
C33 N4 Cu2 N6 . . . . -12.8(2) ?
C27 N4 Cu2 P2 . . . . 19.67(18) ?
C32 N4 Cu2 P2 . . . . -100.1(2) ?
C33 N4 Cu2 P2 . . . . 143.0(2) ?
C27 N4 Cu2 N3 . . . . 102.42(19) ?
C32 N4 Cu2 N3 . . . . -17.3(2) ?
C33 N4 Cu2 N3 . . . . -134.2(2) ?
C19 N3 Cu2 N6 . . . . 176.4(2) ?
C24 N3 Cu2 N6 . . . . -57.6(2) ?
C25 N3 Cu2 N6 . . . . 59.5(2) ?
C19 N3 Cu2 P2 . . . . 25.46(19) ?
C24 N3 Cu2 P2 . . . . 151.4(2) ?
C25 N3 Cu2 P2 . . . . -91.43(19) ?
C19 N3 Cu2 N4 . . . . -56.8(2) ?
C24 N3 Cu2 N4 . . . . 69.2(2) ?
C25 N3 Cu2 N4 . . . . -173.68(19) ?
B8 B2 Sn1 B1 . . . . -95.8(3) ?
B7 B2 Sn1 B1 . . . . -22.7(2) ?
B3 B2 Sn1 B1 . . . . -119.3(2) ?
B8 B2 Sn1 B3 . . . . 23.5(2) ?
B7 B2 Sn1 B3 . . . . 96.6(3) ?
B1 B2 Sn1 B3 . . . . 119.3(2) ?
B8 B2 Sn1 B4 . . . . -15.2(3) ?
B7 B2 Sn1 B4 . . . . 57.9(2) ?
B1 B2 Sn1 B4 . . . . 80.61(18) ?
B3 B2 Sn1 B4 . . . . -38.69(18) ?
B8 B2 Sn1 C38 . . . . -57.9(3) ?
B7 B2 Sn1 C38 . . . . 15.2(2) ?
B1 B2 Sn1 C38 . . . . 37.98(17) ?
B3 B2 Sn1 C38 . . . . -81.32(18) ?
C38 B1 Sn1 B2 . . . . 118.3(2) ?
B7 B1 Sn1 B2 . . . . 23.2(2) ?
B6 B1 Sn1 B2 . . . . 97.1(3) ?
C38 B1 Sn1 B3 . . . . 78.68(19) ?
B7 B1 Sn1 B3 . . . . -16.5(2) ?
B6 B1 Sn1 B3 . . . . 57.4(3) ?
B2 B1 Sn1 B3 . . . . -39.66(17) ?
C38 B1 Sn1 B4 . . . . 32.80(18) ?
B7 B1 Sn1 B4 . . . . -62.4(3) ?
B6 B1 Sn1 B4 . . . . 11.5(3) ?
B2 B1 Sn1 B4 . . . . -85.54(19) ?
B7 B1 Sn1 C38 . . . . -95.2(3) ?
B6 B1 Sn1 C38 . . . . -21.3(3) ?
B2 B1 Sn1 C38 . . . . -118.3(2) ?
B9 B3 Sn1 B2 . . . . -96.5(3) ?
B8 B3 Sn1 B2 . . . . -23.0(2) ?
B4 B3 Sn1 B2 . . . . -119.8(2) ?
B9 B3 Sn1 B1 . . . . -57.0(2) ?
B8 B3 Sn1 B1 . . . . 16.5(3) ?
B4 B3 Sn1 B1 . . . . -80.34(18) ?
B2 B3 Sn1 B1 . . . . 39.50(18) ?
B9 B3 Sn1 B4 . . . . 23.3(2) ?
B8 B3 Sn1 B4 . . . . 96.8(3) ?
B2 B3 Sn1 B4 . . . . 119.8(2) ?
B9 B3 Sn1 C38 . . . . -13.5(2) ?
B8 B3 Sn1 C38 . . . . 60.0(3) ?
B4 B3 Sn1 C38 . . . . -36.83(16) ?
B2 B3 Sn1 C38 . . . . 83.01(18) ?
C38 B4 Sn1 B2 . . . . -80.20(18) ?
B5 B4 Sn1 B2 . . . . -58.0(3) ?
B9 B4 Sn1 B2 . . . . 16.4(2) ?
B3 B4 Sn1 B2 . . . . 39.49(17) ?
C38 B4 Sn1 B1 . . . . -33.45(18) ?
B5 B4 Sn1 B1 . . . . -11.3(3) ?
B9 B4 Sn1 B1 . . . . 63.2(3) ?
B3 B4 Sn1 B1 . . . . 86.24(18) ?
C38 B4 Sn1 B3 . . . . -119.7(2) ?
B5 B4 Sn1 B3 . . . . -97.5(3) ?
B9 B4 Sn1 B3 . . . . -23.1(2) ?
B5 B4 Sn1 C38 . . . . 22.2(3) ?
B9 B4 Sn1 C38 . . . . 96.6(3) ?
B3 B4 Sn1 C38 . . . . 119.7(2) ?
B5 C38 Sn1 B2 . . . . 63.8(3) ?
B6 C38 Sn1 B2 . . . . -17.8(3) ?
B4 C38 Sn1 B2 . . . . 87.1(2) ?
B1 C38 Sn1 B2 . . . . -40.67(19) ?
B5 C38 Sn1 B1 . . . . 104.5(3) ?
B6 C38 Sn1 B1 . . . . 22.9(3) ?
B4 C38 Sn1 B1 . . . . 127.8(3) ?
B5 C38 Sn1 B3 . . . . 16.3(2) ?
B6 C38 Sn1 B3 . . . . -65.3(3) ?
B4 C38 Sn1 B3 . . . . 39.57(18) ?
B1 C38 Sn1 B3 . . . . -88.2(2) ?
B5 C38 Sn1 B4 . . . . -23.3(2) ?
B6 C38 Sn1 B4 . . . . -104.9(3) ?
B1 C38 Sn1 B4 . . . . -127.8(3) ?
B18 B13 Sn2 B12 . . . . -22.9(2) ?
B19 B13 Sn2 B12 . . . . -96.3(3) ?
B14 B13 Sn2 B12 . . . . -119.1(3) ?
B18 B13 Sn2 B14 . . . . 96.2(3) ?
B19 B13 Sn2 B14 . . . . 22.8(3) ?
B12 B13 Sn2 B14 . . . . 119.1(3) ?
B18 B13 Sn2 B11 . . . . 16.2(3) ?
B19 B13 Sn2 B11 . . . . -57.2(3) ?
B14 B13 Sn2 B11 . . . . -80.0(2) ?
B12 B13 Sn2 B11 . . . . 39.07(19) ?
B18 B13 Sn2 C41 . . . . 59.0(3) ?
B19 B13 Sn2 C41 . . . . -14.4(3) ?
B14 B13 Sn2 C41 . . . . -37.17(19) ?
B12 B13 Sn2 C41 . . . . 81.94(19) ?
B18 B12 Sn2 B13 . . . . 22.5(2) ?
B17 B12 Sn2 B13 . . . . 95.4(3) ?
B11 B12 Sn2 B13 . . . . 119.5(3) ?
B18 B12 Sn2 B14 . . . . -16.8(3) ?
B17 B12 Sn2 B14 . . . . 56.0(3) ?
B11 B12 Sn2 B14 . . . . 80.1(2) ?
B13 B12 Sn2 B14 . . . . -39.36(19) ?
B18 B12 Sn2 B11 . . . . -96.9(3) ?
B17 B12 Sn2 B11 . . . . -24.1(3) ?
B13 B12 Sn2 B11 . . . . -119.5(3) ?
B18 B12 Sn2 C41 . . . . -59.8(3) ?
B17 B12 Sn2 C41 . . . . 13.0(3) ?
B11 B12 Sn2 C41 . . . . 37.11(18) ?
B13 B12 Sn2 C41 . . . . -82.35(19) ?
C41 B14 Sn2 B13 . . . . -119.4(3) ?
B19 B14 Sn2 B13 . . . . -22.5(3) ?
B15 B14 Sn2 B13 . . . . -97.3(3) ?
C41 B14 Sn2 B12 . . . . -79.20(19) ?
B19 B14 Sn2 B12 . . . . 17.7(3) ?
B15 B14 Sn2 B12 . . . . -57.1(3) ?
B13 B14 Sn2 B12 . . . . 40.21(19) ?
C41 B14 Sn2 B11 . . . . -32.93(18) ?
B19 B14 Sn2 B11 . . . . 64.0(3) ?
B15 B14 Sn2 B11 . . . . -10.8(3) ?
B13 B14 Sn2 B11 . . . . 86.5(2) ?
B19 B14 Sn2 C41 . . . . 96.9(3) ?
B15 B14 Sn2 C41 . . . . 22.1(2) ?
B13 B14 Sn2 C41 . . . . 119.4(3) ?
C41 B11 Sn2 B13 . . . . 79.41(19) ?
B16 B11 Sn2 B13 . . . . 56.4(3) ?
B17 B11 Sn2 B13 . . . . -16.5(3) ?
B12 B11 Sn2 B13 . . . . -40.03(19) ?
C41 B11 Sn2 B12 . . . . 119.4(3) ?
B16 B11 Sn2 B12 . . . . 96.4(3) ?
B17 B11 Sn2 B12 . . . . 23.5(2) ?
C41 B11 Sn2 B14 . . . . 33.00(17) ?
B16 B11 Sn2 B14 . . . . 10.0(3) ?
B17 B11 Sn2 B14 . . . . -62.9(3) ?
B12 B11 Sn2 B14 . . . . -86.4(2) ?
B16 B11 Sn2 C41 . . . . -23.0(2) ?
B17 B11 Sn2 C41 . . . . -96.0(3) ?
B12 B11 Sn2 C41 . . . . -119.4(3) ?
B16 C41 Sn2 B13 . . . . -63.3(3) ?
B15 C41 Sn2 B13 . . . . 17.2(3) ?
B14 C41 Sn2 B13 . . . . 39.99(19) ?
B11 C41 Sn2 B13 . . . . -88.0(2) ?
B16 C41 Sn2 B12 . . . . -15.2(3) ?
B15 C41 Sn2 B12 . . . . 65.3(3) ?
B14 C41 Sn2 B12 . . . . 88.1(2) ?
B11 C41 Sn2 B12 . . . . -39.91(19) ?
B16 C41 Sn2 B14 . . . . -103.3(3) ?
B15 C41 Sn2 B14 . . . . -22.8(3) ?
B11 C41 Sn2 B14 . . . . -128.0(3) ?
B16 C41 Sn2 B11 . . . . 24.7(3) ?
B15 C41 Sn2 B11 . . . . 105.2(3) ?
B14 C41 Sn2 B11 . . . . 128.0(3) ?

_database_code_depnum_ccdc_archive 'CCDC 992555'
