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

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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.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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data_mei1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H39 B N2'
_chemical_formula_weight         570.55

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   17.5180(7)
_cell_length_b                   9.2570(3)
_cell_length_c                   21.2687(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.371(2)
_cell_angle_gamma                90.00
_cell_volume                     3253.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    1613
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      18.04

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1216
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9675
_exptl_absorpt_correction_T_max  0.9934
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(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 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19807
_diffrn_reflns_av_R_equivalents  0.0825
_diffrn_reflns_av_sigmaI/netI    0.1513
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.99
_diffrn_reflns_theta_max         26.50
_reflns_number_total             6700
_reflns_number_gt                2724
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0041(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6700
_refine_ls_number_parameters     404
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1831
_refine_ls_R_factor_gt           0.0652
_refine_ls_wR_factor_ref         0.1803
_refine_ls_wR_factor_gt          0.1310
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_restrained_S_all      0.927
_refine_ls_shift/su_max          0.000
_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
B1 B 0.7154(2) -0.0475(4) -0.04567(18) 0.0333(9) Uani 1 1 d . . .
N1 N 1.03041(16) 0.3722(3) 0.08524(12) 0.0394(7) Uani 1 1 d . . .
N2 N 1.15551(15) 0.6298(3) 0.20891(12) 0.0384(7) Uani 1 1 d . . .
C1 C 0.78106(18) 0.0610(3) -0.00567(15) 0.0333(8) Uani 1 1 d . . .
C2 C 0.82615(19) 0.1445(3) -0.03573(15) 0.0413(9) Uani 1 1 d . . .
H2A H 0.8147 0.1373 -0.0825 0.050 Uiso 1 1 calc R . .
C3 C 0.88694(19) 0.2375(3) 0.00060(15) 0.0414(9) Uani 1 1 d . . .
H3A H 0.9181 0.2889 -0.0210 0.050 Uiso 1 1 calc R . .
C4 C 0.90237(18) 0.2556(3) 0.06877(15) 0.0322(8) Uani 1 1 d . . .
C5 C 0.85713(18) 0.1779(3) 0.09910(15) 0.0346(8) Uani 1 1 d . . .
H5A H 0.8661 0.1909 0.1453 0.042 Uiso 1 1 calc R . .
C6 C 0.79875(18) 0.0810(3) 0.06288(15) 0.0357(8) Uani 1 1 d . . .
H6A H 0.7698 0.0263 0.0854 0.043 Uiso 1 1 calc R . .
C7 C 0.66328(18) -0.0112(3) -0.11948(14) 0.0325(8) Uani 1 1 d . . .
C8 C 0.65926(18) -0.1075(3) -0.17238(16) 0.0352(8) Uani 1 1 d . . .
C9 C 0.61005(19) -0.0758(3) -0.23669(16) 0.0395(9) Uani 1 1 d . . .
H9A H 0.6092 -0.1408 -0.2715 0.047 Uiso 1 1 calc R . .
C10 C 0.56216(19) 0.0461(4) -0.25236(15) 0.0397(9) Uani 1 1 d . . .
C11 C 0.56648(18) 0.1409(3) -0.20097(16) 0.0390(8) Uani 1 1 d . . .
H11A H 0.5338 0.2254 -0.2106 0.047 Uiso 1 1 calc R . .
C12 C 0.61663(19) 0.1175(3) -0.13587(15) 0.0358(8) Uani 1 1 d . . .
C13 C 0.6165(2) 0.2283(3) -0.08346(16) 0.0513(10) Uani 1 1 d . . .
H13A H 0.5632 0.2744 -0.0957 0.077 Uiso 1 1 calc R . .
H13B H 0.6578 0.3018 -0.0807 0.077 Uiso 1 1 calc R . .
H13C H 0.6285 0.1805 -0.0402 0.077 Uiso 1 1 calc R . .
C14 C 0.5059(2) 0.0751(4) -0.32229(16) 0.0577(11) Uani 1 1 d . . .
H14A H 0.5222 0.0162 -0.3539 0.087 Uiso 1 1 calc R . .
H14B H 0.5085 0.1776 -0.3329 0.087 Uiso 1 1 calc R . .
H14C H 0.4504 0.0503 -0.3254 0.087 Uiso 1 1 calc R . .
C15 C 0.7095(2) -0.2434(3) -0.15958(16) 0.0475(10) Uani 1 1 d . . .
H15A H 0.7011 -0.2942 -0.2018 0.071 Uiso 1 1 calc R . .
H15B H 0.6933 -0.3061 -0.1291 0.071 Uiso 1 1 calc R . .
H15C H 0.7668 -0.2182 -0.1396 0.071 Uiso 1 1 calc R . .
C16 C 0.70016(18) -0.1896(3) -0.01127(14) 0.0320(8) Uani 1 1 d . . .
C17 C 0.62216(19) -0.2270(3) -0.01114(14) 0.0321(8) Uani 1 1 d . . .
C18 C 0.60917(19) -0.3547(3) 0.01800(14) 0.0363(8) Uani 1 1 d . . .
H18A H 0.5562 -0.3757 0.0183 0.044 Uiso 1 1 calc R . .
C19 C 0.6709(2) -0.4529(3) 0.04668(14) 0.0379(9) Uani 1 1 d . . .
C20 C 0.7479(2) -0.4160(3) 0.04704(15) 0.0420(9) Uani 1 1 d . . .
H20A H 0.7915 -0.4806 0.0669 0.050 Uiso 1 1 calc R . .
C21 C 0.76355(19) -0.2876(3) 0.01930(15) 0.0359(8) Uani 1 1 d . . .
C22 C 0.85010(19) -0.2607(4) 0.02266(17) 0.0521(10) Uani 1 1 d . . .
H22A H 0.8804 -0.3517 0.0322 0.078 Uiso 1 1 calc R . .
H22B H 0.8753 -0.1909 0.0581 0.078 Uiso 1 1 calc R . .
H22C H 0.8506 -0.2222 -0.0201 0.078 Uiso 1 1 calc R . .
C23 C 0.55026(18) -0.1282(3) -0.04062(16) 0.0459(9) Uani 1 1 d . . .
H23A H 0.5025 -0.1697 -0.0332 0.069 Uiso 1 1 calc R . .
H23B H 0.5398 -0.1176 -0.0886 0.069 Uiso 1 1 calc R . .
H23C H 0.5619 -0.0332 -0.0192 0.069 Uiso 1 1 calc R . .
C24 C 0.6548(2) -0.5908(3) 0.07760(16) 0.0529(10) Uani 1 1 d . . .
H24A H 0.6047 -0.6348 0.0484 0.079 Uiso 1 1 calc R . .
H24B H 0.6492 -0.5696 0.1210 0.079 Uiso 1 1 calc R . .
H24C H 0.7000 -0.6578 0.0836 0.079 Uiso 1 1 calc R . .
C25 C 0.96744(18) 0.3558(3) 0.10736(15) 0.0310(8) Uani 1 1 d . . .
C26 C 0.96226(19) 0.4281(3) 0.16282(16) 0.0408(9) Uani 1 1 d . . .
H26A H 0.9169 0.4145 0.1773 0.049 Uiso 1 1 calc R . .
C27 C 1.0243(2) 0.5204(3) 0.19674(16) 0.0444(9) Uani 1 1 d . . .
H27A H 1.0217 0.5723 0.2345 0.053 Uiso 1 1 calc R . .
C28 C 1.08947(19) 0.5365(3) 0.17549(16) 0.0355(8) Uani 1 1 d . . .
C29 C 1.09043(18) 0.4615(3) 0.11982(15) 0.0361(8) Uani 1 1 d . . .
H29A H 1.1357 0.4732 0.1051 0.043 Uiso 1 1 calc R . .
C30 C 1.22909(19) 0.5635(3) 0.24932(14) 0.0328(8) Uani 1 1 d . . .
C31 C 1.22649(19) 0.4477(3) 0.29009(14) 0.0353(8) Uani 1 1 d . . .
H31A H 1.1759 0.4121 0.2907 0.042 Uiso 1 1 calc R . .
C32 C 1.2976(2) 0.3844(3) 0.32980(15) 0.0410(9) Uani 1 1 d . . .
H32A H 1.2956 0.3045 0.3572 0.049 Uiso 1 1 calc R . .
C33 C 1.3712(2) 0.4358(3) 0.32997(16) 0.0434(9) Uani 1 1 d . . .
H33A H 1.4198 0.3938 0.3584 0.052 Uiso 1 1 calc R . .
C34 C 1.3740(2) 0.5493(4) 0.28838(16) 0.0467(9) Uani 1 1 d . . .
H34A H 1.4247 0.5836 0.2876 0.056 Uiso 1 1 calc R . .
C35 C 1.3034(2) 0.6128(3) 0.24809(15) 0.0415(9) Uani 1 1 d . . .
H35A H 1.3056 0.6903 0.2195 0.050 Uiso 1 1 calc R . .
C36 C 1.14224(18) 0.7800(3) 0.20737(15) 0.0329(8) Uani 1 1 d . . .
C37 C 1.07620(19) 0.8417(3) 0.15936(15) 0.0411(9) Uani 1 1 d . . .
H37A H 1.0389 0.7813 0.1276 0.049 Uiso 1 1 calc R . .
C38 C 1.0635(2) 0.9891(4) 0.15679(17) 0.0513(10) Uani 1 1 d . . .
H38A H 1.0178 1.0290 0.1234 0.062 Uiso 1 1 calc R . .
C39 C 1.1167(2) 1.0787(4) 0.20234(18) 0.0511(10) Uani 1 1 d . . .
H39A H 1.1081 1.1802 0.2007 0.061 Uiso 1 1 calc R . .
C40 C 1.1824(2) 1.0192(4) 0.25028(17) 0.0489(10) Uani 1 1 d . . .
H40A H 1.2194 1.0802 0.2819 0.059 Uiso 1 1 calc R . .
C41 C 1.19545(19) 0.8719(3) 0.25302(15) 0.0415(9) Uani 1 1 d . . .
H41A H 1.2413 0.8329 0.2865 0.050 Uiso 1 1 calc R . .


_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
B1 C1 1.551(4) . ?
B1 C7 1.568(4) . ?
B1 C16 1.570(5) . ?
N1 C25 1.344(4) . ?
N1 C29 1.347(3) . ?
N2 C36 1.409(4) . ?
N2 C30 1.429(3) . ?
N2 C28 1.429(4) . ?
C1 C6 1.399(4) . ?
C1 C2 1.402(4) . ?
C2 C3 1.388(4) . ?
C2 H2A 0.9500 . ?
C3 C4 1.394(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.379(4) . ?
C4 C25 1.488(4) . ?
C5 C6 1.386(4) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C8 1.419(4) . ?
C7 C12 1.421(4) . ?
C8 C9 1.385(4) . ?
C8 C15 1.507(4) . ?
C9 C10 1.379(4) . ?
C9 H9A 0.9500 . ?
C10 C11 1.384(4) . ?
C10 C14 1.511(4) . ?
C11 C12 1.389(4) . ?
C11 H11A 0.9500 . ?
C12 C13 1.515(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.410(4) . ?
C16 C21 1.414(4) . ?
C17 C18 1.389(4) . ?
C17 C23 1.514(4) . ?
C18 C19 1.389(4) . ?
C18 H18A 0.9500 . ?
C19 C20 1.390(4) . ?
C19 C24 1.504(4) . ?
C20 C21 1.394(4) . ?
C20 H20A 0.9500 . ?
C21 C22 1.515(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.385(4) . ?
C26 C27 1.383(4) . ?
C26 H26A 0.9500 . ?
C27 C28 1.368(4) . ?
C27 H27A 0.9500 . ?
C28 C29 1.378(4) . ?
C29 H29A 0.9500 . ?
C30 C35 1.387(4) . ?
C30 C31 1.389(4) . ?
C31 C32 1.382(4) . ?
C31 H31A 0.9500 . ?
C32 C33 1.372(4) . ?
C32 H32A 0.9500 . ?
C33 C34 1.385(4) . ?
C33 H33A 0.9500 . ?
C34 C35 1.381(4) . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 C37 1.387(4) . ?
C36 C41 1.391(4) . ?
C37 C38 1.381(4) . ?
C37 H37A 0.9500 . ?
C38 C39 1.377(4) . ?
C38 H38A 0.9500 . ?
C39 C40 1.375(4) . ?
C39 H39A 0.9500 . ?
C40 C41 1.380(4) . ?
C40 H40A 0.9500 . ?
C41 H41A 0.9500 . ?

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
C1 B1 C7 119.3(3) . . ?
C1 B1 C16 119.7(3) . . ?
C7 B1 C16 120.9(3) . . ?
C25 N1 C29 117.4(3) . . ?
C36 N2 C30 123.2(2) . . ?
C36 N2 C28 119.0(2) . . ?
C30 N2 C28 117.4(2) . . ?
C6 C1 C2 116.0(3) . . ?
C6 C1 B1 121.7(3) . . ?
C2 C1 B1 122.3(3) . . ?
C3 C2 C1 122.2(3) . . ?
C3 C2 H2A 118.9 . . ?
C1 C2 H2A 118.9 . . ?
C2 C3 C4 120.1(3) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 H3A 119.9 . . ?
C5 C4 C3 118.8(3) . . ?
C5 C4 C25 121.4(3) . . ?
C3 C4 C25 119.8(3) . . ?
C4 C5 C6 120.7(3) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C5 C6 C1 122.2(3) . . ?
C5 C6 H6A 118.9 . . ?
C1 C6 H6A 118.9 . . ?
C8 C7 C12 117.3(3) . . ?
C8 C7 B1 121.2(3) . . ?
C12 C7 B1 121.4(3) . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 C15 119.3(3) . . ?
C7 C8 C15 120.6(3) . . ?
C10 C9 C8 122.8(3) . . ?
C10 C9 H9A 118.6 . . ?
C8 C9 H9A 118.6 . . ?
C9 C10 C11 117.3(3) . . ?
C9 C10 C14 121.9(3) . . ?
C11 C10 C14 120.8(3) . . ?
C10 C11 C12 122.6(3) . . ?
C10 C11 H11A 118.7 . . ?
C12 C11 H11A 118.7 . . ?
C11 C12 C7 119.8(3) . . ?
C11 C12 C13 118.2(3) . . ?
C7 C12 C13 121.9(3) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C15 H15A 109.5 . . ?
C8 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C8 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 117.1(3) . . ?
C17 C16 B1 121.4(3) . . ?
C21 C16 B1 121.5(3) . . ?
C18 C17 C16 120.8(3) . . ?
C18 C17 C23 117.5(3) . . ?
C16 C17 C23 121.6(3) . . ?
C17 C18 C19 122.3(3) . . ?
C17 C18 H18A 118.8 . . ?
C19 C18 H18A 118.8 . . ?
C18 C19 C20 117.0(3) . . ?
C18 C19 C24 121.1(3) . . ?
C20 C19 C24 121.9(3) . . ?
C19 C20 C21 122.3(3) . . ?
C19 C20 H20A 118.9 . . ?
C21 C20 H20A 118.9 . . ?
C20 C21 C16 120.5(3) . . ?
C20 C21 C22 117.0(3) . . ?
C16 C21 C22 122.5(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C17 C23 H23A 109.5 . . ?
C17 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C17 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N1 C25 C26 122.4(3) . . ?
N1 C25 C4 116.5(3) . . ?
C26 C25 C4 121.1(3) . . ?
C27 C26 C25 118.7(3) . . ?
C27 C26 H26A 120.6 . . ?
C25 C26 H26A 120.6 . . ?
C28 C27 C26 119.5(3) . . ?
C28 C27 H27A 120.3 . . ?
C26 C27 H27A 120.3 . . ?
C27 C28 C29 118.6(3) . . ?
C27 C28 N2 121.9(3) . . ?
C29 C28 N2 119.6(3) . . ?
N1 C29 C28 123.3(3) . . ?
N1 C29 H29A 118.4 . . ?
C28 C29 H29A 118.4 . . ?
C35 C30 C31 119.4(3) . . ?
C35 C30 N2 120.8(3) . . ?
C31 C30 N2 119.8(3) . . ?
C32 C31 C30 119.9(3) . . ?
C32 C31 H31A 120.0 . . ?
C30 C31 H31A 120.0 . . ?
C33 C32 C31 120.7(3) . . ?
C33 C32 H32A 119.7 . . ?
C31 C32 H32A 119.7 . . ?
C32 C33 C34 119.6(3) . . ?
C32 C33 H33A 120.2 . . ?
C34 C33 H33A 120.2 . . ?
C35 C34 C33 120.3(3) . . ?
C35 C34 H34A 119.8 . . ?
C33 C34 H34A 119.8 . . ?
C34 C35 C30 120.1(3) . . ?
C34 C35 H35A 120.0 . . ?
C30 C35 H35A 120.0 . . ?
C37 C36 C41 117.7(3) . . ?
C37 C36 N2 121.0(3) . . ?
C41 C36 N2 121.4(3) . . ?
C38 C37 C36 121.3(3) . . ?
C38 C37 H37A 119.3 . . ?
C36 C37 H37A 119.3 . . ?
C39 C38 C37 120.3(3) . . ?
C39 C38 H38A 119.8 . . ?
C37 C38 H38A 119.8 . . ?
C40 C39 C38 119.0(3) . . ?
C40 C39 H39A 120.5 . . ?
C38 C39 H39A 120.5 . . ?
C39 C40 C41 120.9(3) . . ?
C39 C40 H40A 119.6 . . ?
C41 C40 H40A 119.6 . . ?
C40 C41 C36 120.8(3) . . ?
C40 C41 H41A 119.6 . . ?
C36 C41 H41A 119.6 . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.236
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.056


_database_code_depnum_ccdc_archive 'CCDC 1010280'
#######################################################################
#
#                 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_mei2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H45 B N2 O2 Pt'
_chemical_formula_weight         863.74

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'
B B 0.0013 0.0007 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.463(5)
_cell_length_b                   14.994(9)
_cell_length_c                   16.501(10)
_cell_angle_alpha                111.379(6)
_cell_angle_beta                 90.725(7)
_cell_angle_gamma                94.300(6)
_cell_volume                     1943(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    1241
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      15.85

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             868
_exptl_absorpt_coefficient_mu    3.652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3229
_exptl_absorpt_correction_T_max  0.8983
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(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 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20817
_diffrn_reflns_av_R_equivalents  0.1601
_diffrn_reflns_av_sigmaI/netI    0.2431
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         26.98
_reflns_number_total             8244
_reflns_number_gt                4021
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0054(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8244
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1952
_refine_ls_R_factor_gt           0.0996
_refine_ls_wR_factor_ref         0.2579
_refine_ls_wR_factor_gt          0.2102
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_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
Pt1 Pt 0.12369(8) 0.33132(4) 0.45938(4) 0.0431(3) Uani 1 1 d . . .
B1 B -0.2585(18) 0.0165(12) 0.2173(11) 0.034(4) Uani 1 1 d . . .
O1 O 0.2552(12) 0.4652(8) 0.5207(7) 0.049(3) Uani 1 1 d . . .
O2 O 0.0243(12) 0.3743(7) 0.3704(6) 0.045(3) Uani 1 1 d . . .
C1 C 0.0181(19) 0.1945(10) 0.4072(10) 0.042(4) Uani 1 1 d . . .
C2 C -0.0932(18) 0.1581(10) 0.3374(10) 0.044(4) Uani 1 1 d . . .
H2A H -0.1409 0.2019 0.3170 0.053 Uiso 1 1 calc R . .
C3 C -0.1372(18) 0.0593(11) 0.2960(10) 0.039(4) Uani 1 1 d . . .
C4 C -0.0611(17) -0.0009(10) 0.3337(10) 0.040(4) Uani 1 1 d . . .
H4A H -0.0858 -0.0684 0.3077 0.048 Uiso 1 1 calc R . .
C5 C 0.0431(19) 0.0327(11) 0.4038(11) 0.049(4) Uani 1 1 d . . .
H5A H 0.0887 -0.0105 0.4256 0.059 Uiso 1 1 calc R . .
C6 C 0.0820(19) 0.1317(11) 0.4430(10) 0.039(4) Uani 1 1 d . . .
C7 C -0.243(2) -0.0873(10) 0.1491(9) 0.043(4) Uani 1 1 d . . .
C8 C -0.3762(18) -0.1593(11) 0.1269(10) 0.043(4) Uani 1 1 d . . .
C9 C -0.358(2) -0.2502(11) 0.0681(11) 0.053(5) Uani 1 1 d . . .
H9A H -0.4494 -0.2948 0.0520 0.063 Uiso 1 1 calc R . .
C10 C -0.220(3) -0.2809(13) 0.0313(11) 0.061(5) Uani 1 1 d . . .
C11 C -0.085(2) -0.2084(13) 0.0518(10) 0.052(5) Uani 1 1 d . . .
H11A H 0.0130 -0.2236 0.0252 0.062 Uiso 1 1 calc R . .
C12 C -0.1040(19) -0.1175(11) 0.1108(10) 0.045(4) Uani 1 1 d . . .
C13 C 0.044(2) -0.0453(13) 0.1272(13) 0.069(6) Uani 1 1 d . . .
H13A H 0.1118 -0.0496 0.1741 0.103 Uiso 1 1 calc R . .
H13B H 0.0111 0.0200 0.1441 0.103 Uiso 1 1 calc R . .
H13C H 0.1035 -0.0607 0.0739 0.103 Uiso 1 1 calc R . .
C14 C -0.5397(18) -0.1330(12) 0.1640(12) 0.059(5) Uani 1 1 d . . .
H14A H -0.6132 -0.1911 0.1464 0.088 Uiso 1 1 calc R . .
H14B H -0.5806 -0.0867 0.1415 0.088 Uiso 1 1 calc R . .
H14C H -0.5292 -0.1044 0.2277 0.088 Uiso 1 1 calc R . .
C15 C -0.206(3) -0.3810(13) -0.0336(13) 0.093(8) Uani 1 1 d . . .
H15A H -0.2907 -0.3974 -0.0790 0.139 Uiso 1 1 calc R . .
H15B H -0.2154 -0.4269 -0.0038 0.139 Uiso 1 1 calc R . .
H15C H -0.1027 -0.3837 -0.0601 0.139 Uiso 1 1 calc R . .
C16 C -0.3947(18) 0.0800(11) 0.2107(11) 0.044(4) Uani 1 1 d . . .
C17 C -0.504(2) 0.1102(11) 0.2749(11) 0.050(4) Uani 1 1 d . . .
C18 C -0.6371(19) 0.1544(12) 0.2637(12) 0.053(5) Uani 1 1 d . . .
H18A H -0.7087 0.1742 0.3096 0.063 Uiso 1 1 calc R . .
C19 C -0.6685(18) 0.1704(11) 0.1874(12) 0.046(4) Uani 1 1 d . . .
C20 C -0.557(2) 0.1454(11) 0.1237(10) 0.048(4) Uani 1 1 d . . .
H20A H -0.5720 0.1595 0.0726 0.058 Uiso 1 1 calc R . .
C21 C -0.4239(17) 0.1002(10) 0.1329(10) 0.038(4) Uani 1 1 d . . .
C22 C -0.305(2) 0.0750(13) 0.0625(10) 0.052(4) Uani 1 1 d . . .
H22A H -0.3531 0.0774 0.0090 0.078 Uiso 1 1 calc R . .
H22B H -0.2742 0.0101 0.0515 0.078 Uiso 1 1 calc R . .
H22C H -0.2115 0.1212 0.0812 0.078 Uiso 1 1 calc R . .
C23 C -0.493(2) 0.0904(14) 0.3608(11) 0.059(5) Uani 1 1 d . . .
H23A H -0.5872 0.0505 0.3647 0.089 Uiso 1 1 calc R . .
H23B H -0.4854 0.1515 0.4106 0.089 Uiso 1 1 calc R . .
H23C H -0.3979 0.0567 0.3612 0.089 Uiso 1 1 calc R . .
C24 C -0.8132(19) 0.2180(14) 0.1754(12) 0.062(5) Uani 1 1 d . . .
H24A H -0.8897 0.2171 0.2192 0.093 Uiso 1 1 calc R . .
H24B H -0.8618 0.1832 0.1170 0.093 Uiso 1 1 calc R . .
H24C H -0.7821 0.2847 0.1821 0.093 Uiso 1 1 calc R . .
C25 C 0.1975(17) 0.1782(10) 0.5161(9) 0.035(4) Uani 1 1 d . . .
C26 C 0.2748(18) 0.1328(10) 0.5635(10) 0.041(4) Uani 1 1 d . . .
H26A H 0.2572 0.0652 0.5478 0.049 Uiso 1 1 calc R . .
C27 C 0.3770(19) 0.1862(10) 0.6333(11) 0.049(4) Uani 1 1 d . . .
H27A H 0.4287 0.1556 0.6662 0.059 Uiso 1 1 calc R . .
C28 C 0.4044(19) 0.2879(10) 0.6556(10) 0.042(4) Uani 1 1 d . . .
C29 C 0.3230(18) 0.3282(10) 0.6058(10) 0.041(4) Uani 1 1 d . . .
H29A H 0.3390 0.3958 0.6205 0.049 Uiso 1 1 calc R . .
C30 C 0.663(2) 0.3222(11) 0.7376(12) 0.048(5) Uani 1 1 d . . .
C31 C 0.734(2) 0.2600(11) 0.6667(12) 0.048(4) Uani 1 1 d . . .
H31A H 0.6808 0.2313 0.6112 0.057 Uiso 1 1 calc R . .
C32 C 0.891(2) 0.2414(12) 0.6815(13) 0.056(5) Uani 1 1 d . . .
H32A H 0.9475 0.2017 0.6342 0.068 Uiso 1 1 calc R . .
C33 C 0.963(2) 0.2798(13) 0.7627(14) 0.065(5) Uani 1 1 d . . .
H33A H 1.0652 0.2619 0.7719 0.078 Uiso 1 1 calc R . .
C34 C 0.894(2) 0.3421(13) 0.8295(14) 0.066(6) Uani 1 1 d . . .
H34A H 0.9485 0.3722 0.8845 0.079 Uiso 1 1 calc R . .
C35 C 0.7375(19) 0.3626(11) 0.8172(11) 0.047(4) Uani 1 1 d . . .
H35A H 0.6846 0.4047 0.8646 0.056 Uiso 1 1 calc R . .
C36 C 0.4566(19) 0.4404(12) 0.7760(11) 0.045(4) Uani 1 1 d . . .
C37 C 0.517(2) 0.5187(12) 0.7548(12) 0.054(5) Uani 1 1 d . . .
H37A H 0.5896 0.5123 0.7099 0.065 Uiso 1 1 calc R . .
C38 C 0.463(3) 0.6061(14) 0.8050(14) 0.071(6) Uani 1 1 d . . .
H38A H 0.5040 0.6610 0.7939 0.085 Uiso 1 1 calc R . .
C39 C 0.358(2) 0.6206(13) 0.8670(14) 0.068(6) Uani 1 1 d . . .
H39A H 0.3243 0.6828 0.8972 0.081 Uiso 1 1 calc R . .
C40 C 0.300(2) 0.5433(16) 0.8858(13) 0.072(6) Uani 1 1 d . . .
H40A H 0.2291 0.5526 0.9318 0.086 Uiso 1 1 calc R . .
C41 C 0.343(2) 0.4495(13) 0.8381(12) 0.057(5) Uani 1 1 d . . .
H41A H 0.2964 0.3951 0.8482 0.068 Uiso 1 1 calc R . .
C42 C 0.3542(19) 0.6253(12) 0.5457(12) 0.057(5) Uani 1 1 d . . .
H42A H 0.3276 0.6456 0.6071 0.086 Uiso 1 1 calc R . .
H42B H 0.3347 0.6761 0.5237 0.086 Uiso 1 1 calc R . .
H42C H 0.4664 0.6128 0.5403 0.086 Uiso 1 1 calc R . .
C43 C 0.2537(19) 0.5356(11) 0.4939(12) 0.047(4) Uani 1 1 d . . .
C44 C 0.168(2) 0.5331(11) 0.4218(11) 0.046(4) Uani 1 1 d . . .
H44A H 0.1830 0.5889 0.4074 0.056 Uiso 1 1 calc R . .
C45 C 0.0602(18) 0.4596(12) 0.3663(11) 0.045(4) Uani 1 1 d . . .
C46 C -0.026(2) 0.4723(13) 0.2932(12) 0.065(5) Uani 1 1 d . . .
H46A H -0.1389 0.4539 0.2943 0.097 Uiso 1 1 calc R . .
H46B H 0.0158 0.4317 0.2380 0.097 Uiso 1 1 calc R . .
H46C H -0.0107 0.5398 0.2989 0.097 Uiso 1 1 calc R . .
N1 N 0.2227(14) 0.2774(8) 0.5377(8) 0.036(3) Uani 1 1 d . . .
N2 N 0.5044(15) 0.3455(9) 0.7270(8) 0.044(3) Uani 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
Pt1 N1 1.966(12) . ?
Pt1 O2 2.004(10) . ?
Pt1 C1 2.042(15) . ?
Pt1 O1 2.110(10) . ?
B1 C3 1.55(2) . ?
B1 C7 1.57(2) . ?
B1 C16 1.58(2) . ?
O1 C43 1.285(18) . ?
O2 C45 1.320(18) . ?
C1 C2 1.40(2) . ?
C1 C6 1.41(2) . ?
C2 C3 1.41(2) . ?
C3 C4 1.45(2) . ?
C4 C5 1.36(2) . ?
C5 C6 1.40(2) . ?
C6 C25 1.47(2) . ?
C7 C12 1.37(2) . ?
C7 C8 1.446(19) . ?
C8 C9 1.38(2) . ?
C8 C14 1.54(2) . ?
C9 C10 1.36(2) . ?
C10 C11 1.46(3) . ?
C10 C15 1.51(2) . ?
C11 C12 1.38(2) . ?
C12 C13 1.55(2) . ?
C16 C17 1.39(2) . ?
C16 C21 1.45(2) . ?
C17 C18 1.39(2) . ?
C17 C23 1.55(2) . ?
C18 C19 1.39(2) . ?
C19 C20 1.39(2) . ?
C19 C24 1.51(2) . ?
C20 C21 1.39(2) . ?
C21 C22 1.51(2) . ?
C25 C26 1.39(2) . ?
C25 N1 1.396(18) . ?
C26 C27 1.38(2) . ?
C27 C28 1.43(2) . ?
C28 C29 1.39(2) . ?
C28 N2 1.404(19) . ?
C29 N1 1.348(17) . ?
C30 C35 1.35(2) . ?
C30 C31 1.38(2) . ?
C30 N2 1.43(2) . ?
C31 C32 1.41(2) . ?
C32 C33 1.36(2) . ?
C33 C34 1.34(2) . ?
C34 C35 1.41(2) . ?
C36 C41 1.39(2) . ?
C36 C37 1.41(2) . ?
C36 N2 1.448(19) . ?
C37 C38 1.39(3) . ?
C38 C39 1.33(3) . ?
C39 C40 1.36(3) . ?
C40 C41 1.42(2) . ?
C42 C43 1.49(2) . ?
C43 C44 1.37(2) . ?
C44 C45 1.40(2) . ?
C45 C46 1.48(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
N1 Pt1 O2 174.6(4) . . ?
N1 Pt1 C1 81.3(6) . . ?
O2 Pt1 C1 94.4(5) . . ?
N1 Pt1 O1 91.6(4) . . ?
O2 Pt1 O1 92.5(4) . . ?
C1 Pt1 O1 172.5(5) . . ?
C3 B1 C7 119.5(13) . . ?
C3 B1 C16 117.6(14) . . ?
C7 B1 C16 122.9(13) . . ?
C43 O1 Pt1 123.9(11) . . ?
C45 O2 Pt1 123.0(10) . . ?
C2 C1 C6 119.9(14) . . ?
C2 C1 Pt1 126.9(11) . . ?
C6 C1 Pt1 112.8(11) . . ?
C1 C2 C3 122.5(15) . . ?
C2 C3 C4 114.3(13) . . ?
C2 C3 B1 123.7(14) . . ?
C4 C3 B1 121.9(13) . . ?
C5 C4 C3 124.6(14) . . ?
C4 C5 C6 118.9(15) . . ?
C5 C6 C1 119.7(15) . . ?
C5 C6 C25 125.2(14) . . ?
C1 C6 C25 114.9(13) . . ?
C12 C7 C8 115.8(14) . . ?
C12 C7 B1 123.5(14) . . ?
C8 C7 B1 120.7(15) . . ?
C9 C8 C7 119.4(16) . . ?
C9 C8 C14 120.1(14) . . ?
C7 C8 C14 120.4(14) . . ?
C10 C9 C8 125.0(16) . . ?
C9 C10 C11 116.1(15) . . ?
C9 C10 C15 123(2) . . ?
C11 C10 C15 120.3(19) . . ?
C12 C11 C10 118.5(16) . . ?
C7 C12 C11 125.1(15) . . ?
C7 C12 C13 120.0(14) . . ?
C11 C12 C13 114.7(16) . . ?
C17 C16 C21 116.1(14) . . ?
C17 C16 B1 121.8(15) . . ?
C21 C16 B1 121.7(14) . . ?
C16 C17 C18 121.9(16) . . ?
C16 C17 C23 122.2(15) . . ?
C18 C17 C23 115.8(16) . . ?
C17 C18 C19 122.1(16) . . ?
C20 C19 C18 117.4(15) . . ?
C20 C19 C24 120.6(16) . . ?
C18 C19 C24 121.9(16) . . ?
C19 C20 C21 121.6(15) . . ?
C20 C21 C16 120.9(14) . . ?
C20 C21 C22 119.8(15) . . ?
C16 C21 C22 119.3(14) . . ?
C26 C25 N1 120.8(12) . . ?
C26 C25 C6 126.1(13) . . ?
N1 C25 C6 113.1(12) . . ?
C27 C26 C25 120.1(14) . . ?
C26 C27 C28 119.5(15) . . ?
C29 C28 N2 121.0(13) . . ?
C29 C28 C27 117.2(14) . . ?
N2 C28 C27 121.7(15) . . ?
N1 C29 C28 124.0(13) . . ?
C35 C30 C31 122.1(16) . . ?
C35 C30 N2 118.6(17) . . ?
C31 C30 N2 119.3(15) . . ?
C30 C31 C32 116.3(17) . . ?
C33 C32 C31 120.9(18) . . ?
C34 C33 C32 121.5(19) . . ?
C33 C34 C35 118.9(17) . . ?
C30 C35 C34 120.0(17) . . ?
C41 C36 C37 122.2(16) . . ?
C41 C36 N2 118.5(15) . . ?
C37 C36 N2 119.1(15) . . ?
C38 C37 C36 114.5(17) . . ?
C39 C38 C37 126.5(19) . . ?
C38 C39 C40 117.9(18) . . ?
C39 C40 C41 121(2) . . ?
C36 C41 C40 117.3(18) . . ?
O1 C43 C44 124.5(15) . . ?
O1 C43 C42 116.5(16) . . ?
C44 C43 C42 119.0(15) . . ?
C43 C44 C45 129.1(15) . . ?
O2 C45 C44 126.8(15) . . ?
O2 C45 C46 112.4(14) . . ?
C44 C45 C46 120.9(16) . . ?
C29 N1 C25 118.3(12) . . ?
C29 N1 Pt1 124.4(10) . . ?
C25 N1 Pt1 117.0(9) . . ?
C28 N2 C30 121.3(13) . . ?
C28 N2 C36 116.5(12) . . ?
C30 N2 C36 120.4(13) . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        26.98
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         5.635
_refine_diff_density_min         -4.003
_refine_diff_density_rms         0.251

_database_code_depnum_ccdc_archive 'CCDC 1010279'
