# 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
#  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_rad164_0m_a

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C108 H116 Cl8 Cu8 N8 P4, 2(C H2 Cl2)'
_chemical_formula_sum            'C110 H120 Cl12 Cu8 N8 P4'
_chemical_formula_weight         2611.73

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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                   17.8559(14)
_cell_length_b                   16.5326(13)
_cell_length_c                   19.4749(15)
_cell_angle_alpha                90
_cell_angle_beta                 94.917(2)
_cell_angle_gamma                90
_cell_volume                     5727.9(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9891
_cell_measurement_theta_min      2.88
_cell_measurement_theta_max      36.41

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_F_000             2664
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.247
_exptl_crystal_size_mid          0.147
_exptl_crystal_size_min          0.146
_exptl_absorpt_coefficient_mu    1.841
_shelx_estimated_absorpt_T_min   0.659
_shelx_estimated_absorpt_T_max   0.775
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.835
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_process_details   SADABS
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74308
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.717
_diffrn_reflns_theta_max         28.281
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14193
_reflns_number_gt                11224
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0700P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14193
_refine_ls_number_parameters     652
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.1099
_refine_ls_wR_factor_gt          0.0983
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.47171(2) 0.42169(2) 0.67550(2) 0.01540(8) Uani 1 1 d . . . . .
Cu2 Cu 0.43942(2) 0.61987(2) 0.77157(2) 0.01552(8) Uani 1 1 d . . . . .
Cu3 Cu 0.50423(2) 0.79349(2) 0.80930(2) 0.01533(8) Uani 1 1 d . . . . .
Cu4 Cu 0.52146(2) 0.96415(2) 0.93188(2) 0.01478(8) Uani 1 1 d . . . . .
Cl1 Cl 0.54154(4) 0.34211(4) 0.62356(3) 0.02175(14) Uani 1 1 d . . . . .
Cl2 Cl 0.46231(4) 0.68964(4) 0.87478(3) 0.01964(14) Uani 1 1 d . . . . .
Cl3 Cl 0.45641(4) 0.73164(4) 0.70338(3) 0.01752(13) Uani 1 1 d . . . . .
Cl4 Cl 0.55370(4) 0.92553(4) 1.04370(3) 0.02056(14) Uani 1 1 d . . . . .
P1 P 0.41247(3) 0.49155(4) 0.74905(3) 0.01099(13) Uani 1 1 d . . . . .
P2 P 0.54376(3) 0.91821(4) 0.82997(3) 0.00932(12) Uani 1 1 d . . . . .
N1 N 0.28526(12) 0.47407(13) 0.65142(11) 0.0155(4) Uani 1 1 d . . . . .
N2 N 0.25209(12) 0.49220(14) 0.75440(11) 0.0166(5) Uani 1 1 d . . . . .
N3 N 0.69181(12) 0.98926(12) 0.82566(11) 0.0132(4) Uani 1 1 d . . . . .
N4 N 0.69313(11) 0.85920(12) 0.83182(11) 0.0129(4) Uani 1 1 d . . . . .
C1 C 0.31265(14) 0.48363(15) 0.71808(13) 0.0123(5) Uani 1 1 d . . . . .
C2 C 0.20733(15) 0.47702(19) 0.64654(16) 0.0250(6) Uani 1 1 d . . . . .
H2 H 0.1747 0.4721 0.6056 0.030 Uiso 1 1 calc R U . . .
C3 C 0.18672(16) 0.48813(19) 0.71071(15) 0.0252(6) Uani 1 1 d . . . . .
H3 H 0.1368 0.4924 0.7236 0.030 Uiso 1 1 calc R U . . .
C4 C 0.32754(14) 0.45916(16) 0.59273(13) 0.0150(5) Uani 1 1 d . . . . .
C5 C 0.35039(14) 0.52479(16) 0.55466(13) 0.0164(5) Uani 1 1 d . . . . .
C6 C 0.38761(15) 0.50750(18) 0.49655(14) 0.0207(6) Uani 1 1 d . . . . .
H6 H 0.4048 0.5509 0.4700 0.025 Uiso 1 1 calc R U . . .
C7 C 0.40048(15) 0.42812(18) 0.47609(14) 0.0198(6) Uani 1 1 d . . . . .
C8 C 0.37451(15) 0.36479(17) 0.51474(14) 0.0199(6) Uani 1 1 d . . . . .
H8 H 0.3818 0.3106 0.5004 0.024 Uiso 1 1 calc R U . . .
C9 C 0.33831(15) 0.37900(16) 0.57350(14) 0.0181(5) Uani 1 1 d . . . . .
C10 C 0.33560(18) 0.61022(17) 0.57553(15) 0.0247(6) Uani 1 1 d . . . . .
H10A H 0.3657 0.6226 0.6187 0.037 Uiso 1 1 calc R U . . .
H10B H 0.2821 0.6166 0.5822 0.037 Uiso 1 1 calc R U . . .
H10C H 0.3493 0.6473 0.5394 0.037 Uiso 1 1 calc R U . . .
C11 C 0.44320(17) 0.4109(2) 0.41394(15) 0.0284(7) Uani 1 1 d . . . . .
H11A H 0.4970 0.4062 0.4284 0.043 Uiso 1 1 calc R U . . .
H11B H 0.4352 0.4551 0.3806 0.043 Uiso 1 1 calc R U . . .
H11C H 0.4252 0.3601 0.3925 0.043 Uiso 1 1 calc R U . . .
C12 C 0.31071(18) 0.30928(17) 0.61510(16) 0.0271(7) Uani 1 1 d . . . . .
H12A H 0.2557 0.3077 0.6098 0.041 Uiso 1 1 calc R U . . .
H12B H 0.3278 0.3167 0.6638 0.041 Uiso 1 1 calc R U . . .
H12C H 0.3308 0.2584 0.5986 0.041 Uiso 1 1 calc R U . . .
C13 C 0.25342(14) 0.51197(18) 0.82655(14) 0.0181(5) Uani 1 1 d . . . . .
C14 C 0.26565(15) 0.59232(18) 0.84570(14) 0.0214(6) Uani 1 1 d . . . . .
C15 C 0.26824(17) 0.6108(2) 0.91557(16) 0.0276(7) Uani 1 1 d . . . . .
H15 H 0.2790 0.6647 0.9303 0.033 Uiso 1 1 calc R U . . .
C16 C 0.25534(18) 0.5520(2) 0.96414(16) 0.0319(7) Uani 1 1 d . . . . .
C17 C 0.24110(17) 0.4740(2) 0.94277(16) 0.0324(7) Uani 1 1 d . . . . .
H17 H 0.2319 0.4342 0.9762 0.039 Uiso 1 1 calc R U . . .
C18 C 0.23965(15) 0.45093(19) 0.87321(15) 0.0239(6) Uani 1 1 d . . . . .
C19 C 0.27042(17) 0.65839(17) 0.79276(16) 0.0248(6) Uani 1 1 d . . . . .
H19A H 0.2197 0.6770 0.7772 0.037 Uiso 1 1 calc R U . . .
H19B H 0.2950 0.6374 0.7534 0.037 Uiso 1 1 calc R U . . .
H19C H 0.2997 0.7038 0.8134 0.037 Uiso 1 1 calc R U . . .
C20 C 0.2563(3) 0.5755(3) 1.03909(18) 0.0565(12) Uani 1 1 d . . . . .
H20A H 0.2304 0.5339 1.0641 0.085 Uiso 1 1 calc R U . . .
H20B H 0.2307 0.6275 1.0430 0.085 Uiso 1 1 calc R U . . .
H20C H 0.3084 0.5802 1.0589 0.085 Uiso 1 1 calc R U . . .
C21 C 0.22215(18) 0.3655(2) 0.85047(18) 0.0327(7) Uani 1 1 d . . . . .
H21A H 0.1713 0.3632 0.8272 0.049 Uiso 1 1 calc R U . . .
H21B H 0.2253 0.3298 0.8908 0.049 Uiso 1 1 calc R U . . .
H21C H 0.2585 0.3479 0.8186 0.049 Uiso 1 1 calc R U . . .
C22 C 0.41878(14) 0.42647(15) 0.82625(13) 0.0133(5) Uani 1 1 d . . . . .
C23 C 0.43692(15) 0.45955(17) 0.89160(13) 0.0179(5) Uani 1 1 d . . . . .
H23 H 0.4393 0.5166 0.8973 0.022 Uiso 1 1 calc R U . . .
C24 C 0.45153(17) 0.40875(19) 0.94844(15) 0.0254(6) Uani 1 1 d . . . . .
H24 H 0.4643 0.4316 0.9927 0.030 Uiso 1 1 calc R U . . .
C25 C 0.44761(16) 0.32549(19) 0.94119(15) 0.0256(6) Uani 1 1 d . . . . .
H25 H 0.4585 0.2914 0.9800 0.031 Uiso 1 1 calc R U . . .
C26 C 0.42769(17) 0.29249(17) 0.87714(16) 0.0251(6) Uani 1 1 d . . . . .
H26 H 0.4231 0.2355 0.8722 0.030 Uiso 1 1 calc R U . . .
C27 C 0.41434(15) 0.34228(16) 0.81991(14) 0.0199(6) Uani 1 1 d . . . . .
H27 H 0.4020 0.3188 0.7759 0.024 Uiso 1 1 calc R U . . .
C28 C 0.64615(13) 0.92347(14) 0.82646(12) 0.0105(5) Uani 1 1 d . . . . .
C29 C 0.76638(14) 0.96510(16) 0.83058(15) 0.0200(6) Uani 1 1 d . . . . .
H29 H 0.8090 0.9995 0.8311 0.024 Uiso 1 1 calc R U . . .
C30 C 0.76724(15) 0.88417(16) 0.83445(15) 0.0198(6) Uani 1 1 d . . . . .
H30 H 0.8105 0.8504 0.8383 0.024 Uiso 1 1 calc R U . . .
C31 C 0.67004(14) 1.07367(14) 0.82248(14) 0.0138(5) Uani 1 1 d . . . . .
C32 C 0.66255(14) 1.11383(15) 0.88462(14) 0.0163(5) Uani 1 1 d . . . . .
C33 C 0.64268(15) 1.19516(16) 0.88071(14) 0.0187(5) Uani 1 1 d . . . . .
H33 H 0.6359 1.2238 0.9220 0.022 Uiso 1 1 calc R U . . .
C34 C 0.63247(15) 1.23557(15) 0.81805(15) 0.0184(5) Uani 1 1 d . . . . .
C35 C 0.64167(14) 1.19319(15) 0.75727(14) 0.0173(5) Uani 1 1 d . . . . .
H35 H 0.6348 1.2207 0.7143 0.021 Uiso 1 1 calc R U . . .
C36 C 0.66073(14) 1.11119(15) 0.75836(13) 0.0147(5) Uani 1 1 d . . . . .
C37 C 0.67754(17) 1.07208(17) 0.95373(14) 0.0220(6) Uani 1 1 d . . . . .
H37A H 0.7317 1.0630 0.9632 0.033 Uiso 1 1 calc R U . . .
H37B H 0.6512 1.0200 0.9527 0.033 Uiso 1 1 calc R U . . .
H37C H 0.6594 1.1062 0.9900 0.033 Uiso 1 1 calc R U . . .
C38 C 0.61389(17) 1.32460(17) 0.81551(16) 0.0255(6) Uani 1 1 d . . . . .
H38A H 0.5888 1.3395 0.8565 0.038 Uiso 1 1 calc R U . . .
H38B H 0.5805 1.3361 0.7741 0.038 Uiso 1 1 calc R U . . .
H38C H 0.6603 1.3560 0.8143 0.038 Uiso 1 1 calc R U . . .
C39 C 0.66724(16) 1.06668(17) 0.69173(14) 0.0207(6) Uani 1 1 d . . . . .
H39A H 0.6897 1.0134 0.7015 0.031 Uiso 1 1 calc R U . . .
H39B H 0.6991 1.0976 0.6627 0.031 Uiso 1 1 calc R U . . .
H39C H 0.6172 1.0601 0.6676 0.031 Uiso 1 1 calc R U . . .
C40 C 0.67225(13) 0.77446(14) 0.83061(13) 0.0129(5) Uani 1 1 d . . . . .
C41 C 0.67254(14) 0.73409(15) 0.89388(14) 0.0155(5) Uani 1 1 d . . . . .
C42 C 0.65464(15) 0.65213(16) 0.89095(15) 0.0194(6) Uani 1 1 d . . . . .
H42 H 0.6536 0.6226 0.9327 0.023 Uiso 1 1 calc R U . . .
C43 C 0.63830(15) 0.61241(15) 0.82858(16) 0.0204(6) Uani 1 1 d . . . . .
C44 C 0.64100(14) 0.65551(16) 0.76752(15) 0.0200(6) Uani 1 1 d . . . . .
H44 H 0.6305 0.6281 0.7249 0.024 Uiso 1 1 calc R U . . .
C45 C 0.65869(14) 0.73756(16) 0.76686(14) 0.0162(5) Uani 1 1 d . . . . .
C46 C 0.68917(18) 0.77766(18) 0.96101(15) 0.0258(6) Uani 1 1 d . . . . .
H46A H 0.6892 0.7389 0.9991 0.039 Uiso 1 1 calc R U . . .
H46B H 0.6506 0.8189 0.9661 0.039 Uiso 1 1 calc R U . . .
H46C H 0.7386 0.8036 0.9617 0.039 Uiso 1 1 calc R U . . .
C47 C 0.61838(18) 0.52361(17) 0.82614(19) 0.0312(7) Uani 1 1 d . . . . .
H47A H 0.6645 0.4914 0.8265 0.047 Uiso 1 1 calc R U . . .
H47B H 0.5862 0.5122 0.7839 0.047 Uiso 1 1 calc R U . . .
H47C H 0.5916 0.5097 0.8664 0.047 Uiso 1 1 calc R U . . .
C48 C 0.66216(16) 0.78214(17) 0.69993(14) 0.0225(6) Uani 1 1 d . . . . .
H48A H 0.6127 0.8051 0.6856 0.034 Uiso 1 1 calc R U . . .
H48B H 0.6768 0.7446 0.6645 0.034 Uiso 1 1 calc R U . . .
H48C H 0.6993 0.8258 0.7061 0.034 Uiso 1 1 calc R U . . .
C49 C 0.50825(13) 0.98803(15) 0.76091(12) 0.0110(5) Uani 1 1 d . . . . .
C50 C 0.49264(14) 1.06915(15) 0.77503(14) 0.0144(5) Uani 1 1 d . . . . .
H50 H 0.5041 1.0900 0.8202 0.017 Uiso 1 1 calc R U . . .
C51 C 0.46034(15) 1.11945(16) 0.72318(14) 0.0187(5) Uani 1 1 d . . . . .
H51 H 0.4505 1.1745 0.7330 0.022 Uiso 1 1 calc R U . . .
C52 C 0.44242(16) 1.08939(18) 0.65718(15) 0.0232(6) Uani 1 1 d . . . . .
H52 H 0.4205 1.1238 0.6219 0.028 Uiso 1 1 calc R U . . .
C53 C 0.45667(16) 1.00907(18) 0.64297(14) 0.0215(6) Uani 1 1 d . . . . .
H53 H 0.4442 0.9885 0.5979 0.026 Uiso 1 1 calc R U . . .
C54 C 0.48920(14) 0.95814(16) 0.69439(13) 0.0162(5) Uani 1 1 d . . . . .
H54 H 0.4985 0.9030 0.6842 0.019 Uiso 1 1 calc R U . . .
Cl5 Cl 0.44754(6) 0.14778(6) 0.46861(5) 0.0500(2) Uani 1 1 d . . . . .
Cl6 Cl 0.60643(7) 0.16175(9) 0.51921(7) 0.0781(4) Uani 1 1 d . . . . .
C55 C 0.5279(2) 0.2106(2) 0.47787(18) 0.0417(9) Uani 1 1 d . . . . .
H55A H 0.5401 0.2288 0.4317 0.050 Uiso 1 1 calc R U . . .
H55B H 0.5163 0.2592 0.5047 0.050 Uiso 1 1 calc R U . . .


_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
Cu1 Cl1 2.1272(7) . ?
Cu1 P1 2.1828(7) . ?
Cu2 P1 2.2110(7) . ?
Cu2 Cl3 2.3105(7) . ?
Cu2 Cl2 2.3232(7) . ?
Cu3 P2 2.2052(7) . ?
Cu3 Cl2 2.3018(7) . ?
Cu3 Cl3 2.3933(7) . ?
Cu4 P2 2.1932(7) . ?
Cu4 Cl4 2.2949(7) . ?
Cu4 Cl4 2.3375(7) 3_677 ?
Cl4 Cu4 2.3375(7) 3_677 ?
P1 C1 1.837(3) . ?
P1 C22 1.844(3) . ?
P2 C28 1.837(2) . ?
P2 C49 1.843(2) . ?
N1 C1 1.357(3) . ?
N1 C2 1.388(3) . ?
N1 C4 1.444(3) . ?
N2 C1 1.349(3) . ?
N2 C3 1.386(3) . ?
N2 C13 1.441(3) . ?
N3 C28 1.360(3) . ?
N3 C29 1.386(3) . ?
N3 C31 1.449(3) . ?
N4 C28 1.352(3) . ?
N4 C30 1.383(3) . ?
N4 C40 1.449(3) . ?
C2 C3 1.345(4) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.395(4) . ?
C4 C9 1.395(4) . ?
C5 C6 1.390(4) . ?
C5 C10 1.499(4) . ?
C6 C7 1.396(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.392(4) . ?
C7 C11 1.512(4) . ?
C8 C9 1.382(4) . ?
C8 H8 0.9500 . ?
C9 C12 1.515(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.392(4) . ?
C13 C18 1.394(4) . ?
C14 C15 1.391(4) . ?
C14 C19 1.509(4) . ?
C15 C16 1.390(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.372(5) . ?
C16 C20 1.509(5) . ?
C17 C18 1.405(4) . ?
C17 H17 0.9500 . ?
C18 C21 1.505(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C27 1.399(4) . ?
C22 C23 1.397(4) . ?
C23 C24 1.396(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C29 C30 1.340(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.392(4) . ?
C31 C32 1.397(4) . ?
C32 C33 1.391(4) . ?
C32 C37 1.516(4) . ?
C33 C34 1.390(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.397(4) . ?
C34 C38 1.509(4) . ?
C35 C36 1.397(4) . ?
C35 H35 0.9500 . ?
C36 C39 1.505(4) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.386(4) . ?
C40 C41 1.401(4) . ?
C41 C42 1.392(4) . ?
C41 C46 1.500(4) . ?
C42 C43 1.389(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.391(4) . ?
C43 C47 1.510(4) . ?
C44 C45 1.393(4) . ?
C44 H44 0.9500 . ?
C45 C48 1.503(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C54 1.401(3) . ?
C49 C50 1.402(3) . ?
C50 C51 1.394(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.390(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.384(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.396(4) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
Cl5 C55 1.768(4) . ?
Cl6 C55 1.754(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?

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
Cl1 Cu1 P1 167.45(3) . . ?
P1 Cu2 Cl3 133.66(3) . . ?
P1 Cu2 Cl2 131.85(3) . . ?
Cl3 Cu2 Cl2 94.49(2) . . ?
P2 Cu3 Cl2 135.28(3) . . ?
P2 Cu3 Cl3 129.92(3) . . ?
Cl2 Cu3 Cl3 92.86(2) . . ?
P2 Cu4 Cl4 135.41(3) . . ?
P2 Cu4 Cl4 127.32(3) . 3_677 ?
Cl4 Cu4 Cl4 97.22(2) . 3_677 ?
Cu3 Cl2 Cu2 86.12(2) . . ?
Cu2 Cl3 Cu3 84.32(2) . . ?
Cu4 Cl4 Cu4 82.78(2) . 3_677 ?
C1 P1 C22 102.46(11) . . ?
C1 P1 Cu1 104.95(8) . . ?
C22 P1 Cu1 103.12(8) . . ?
C1 P1 Cu2 108.79(8) . . ?
C22 P1 Cu2 113.65(9) . . ?
Cu1 P1 Cu2 121.90(3) . . ?
C28 P2 C49 102.97(11) . . ?
C28 P2 Cu4 106.00(8) . . ?
C49 P2 Cu4 111.45(8) . . ?
C28 P2 Cu3 109.97(8) . . ?
C49 P2 Cu3 111.58(8) . . ?
Cu4 P2 Cu3 114.14(3) . . ?
C1 N1 C2 109.8(2) . . ?
C1 N1 C4 127.4(2) . . ?
C2 N1 C4 122.8(2) . . ?
C1 N2 C3 110.1(2) . . ?
C1 N2 C13 126.0(2) . . ?
C3 N2 C13 123.5(2) . . ?
C28 N3 C29 110.0(2) . . ?
C28 N3 C31 127.7(2) . . ?
C29 N3 C31 122.2(2) . . ?
C28 N4 C30 110.7(2) . . ?
C28 N4 C40 127.0(2) . . ?
C30 N4 C40 122.2(2) . . ?
N2 C1 N1 105.9(2) . . ?
N2 C1 P1 128.26(19) . . ?
N1 C1 P1 125.63(19) . . ?
C3 C2 N1 107.1(2) . . ?
C3 C2 H2 126.5 . . ?
N1 C2 H2 126.5 . . ?
C2 C3 N2 107.1(2) . . ?
C2 C3 H3 126.5 . . ?
N2 C3 H3 126.5 . . ?
C5 C4 C9 122.9(2) . . ?
C5 C4 N1 119.0(2) . . ?
C9 C4 N1 117.9(2) . . ?
C6 C5 C4 117.0(2) . . ?
C6 C5 C10 121.5(3) . . ?
C4 C5 C10 121.5(2) . . ?
C5 C6 C7 121.8(3) . . ?
C5 C6 H6 119.1 . . ?
C7 C6 H6 119.1 . . ?
C8 C7 C6 118.8(3) . . ?
C8 C7 C11 120.4(3) . . ?
C6 C7 C11 120.8(3) . . ?
C9 C8 C7 121.4(3) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C4 118.0(3) . . ?
C8 C9 C12 120.7(3) . . ?
C4 C9 C12 121.4(2) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 123.3(3) . . ?
C14 C13 N2 117.8(2) . . ?
C18 C13 N2 118.8(3) . . ?
C15 C14 C13 117.6(3) . . ?
C15 C14 C19 120.6(3) . . ?
C13 C14 C19 121.6(3) . . ?
C16 C15 C14 121.2(3) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 119.2(3) . . ?
C17 C16 C20 121.4(3) . . ?
C15 C16 C20 119.3(3) . . ?
C16 C17 C18 122.4(3) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C13 C18 C17 116.2(3) . . ?
C13 C18 C21 122.1(3) . . ?
C17 C18 C21 121.7(3) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C22 C23 118.5(2) . . ?
C27 C22 P1 120.6(2) . . ?
C23 C22 P1 120.48(19) . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 120.8(3) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C24 119.5(3) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 120.3(3) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C22 120.9(3) . . ?
C26 C27 H27 119.5 . . ?
C22 C27 H27 119.5 . . ?
N4 C28 N3 105.1(2) . . ?
N4 C28 P2 124.93(18) . . ?
N3 C28 P2 129.61(18) . . ?
C30 C29 N3 107.3(2) . . ?
C30 C29 H29 126.3 . . ?
N3 C29 H29 126.3 . . ?
C29 C30 N4 106.8(2) . . ?
C29 C30 H30 126.6 . . ?
N4 C30 H30 126.6 . . ?
C36 C31 C32 123.6(2) . . ?
C36 C31 N3 118.6(2) . . ?
C32 C31 N3 117.8(2) . . ?
C33 C32 C31 117.1(2) . . ?
C33 C32 C37 120.9(2) . . ?
C31 C32 C37 122.0(2) . . ?
C32 C33 C34 121.8(3) . . ?
C32 C33 H33 119.1 . . ?
C34 C33 H33 119.1 . . ?
C33 C34 C35 119.1(2) . . ?
C33 C34 C38 120.7(3) . . ?
C35 C34 C38 120.2(3) . . ?
C36 C35 C34 121.3(2) . . ?
C36 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
C31 C36 C35 117.1(2) . . ?
C31 C36 C39 122.9(2) . . ?
C35 C36 C39 119.9(2) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 C41 124.4(2) . . ?
C45 C40 N4 117.7(2) . . ?
C41 C40 N4 117.7(2) . . ?
C42 C41 C40 116.4(2) . . ?
C42 C41 C46 122.1(2) . . ?
C40 C41 C46 121.6(2) . . ?
C43 C42 C41 121.7(3) . . ?
C43 C42 H42 119.1 . . ?
C41 C42 H42 119.1 . . ?
C42 C43 C44 119.0(2) . . ?
C42 C43 C47 121.2(3) . . ?
C44 C43 C47 119.8(3) . . ?
C43 C44 C45 122.1(3) . . ?
C43 C44 H44 119.0 . . ?
C45 C44 H44 119.0 . . ?
C40 C45 C44 116.3(2) . . ?
C40 C45 C48 122.9(2) . . ?
C44 C45 C48 120.8(2) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C54 C49 C50 118.8(2) . . ?
C54 C49 P2 119.66(19) . . ?
C50 C49 P2 121.18(19) . . ?
C51 C50 C49 120.4(2) . . ?
C51 C50 H50 119.8 . . ?
C49 C50 H50 119.8 . . ?
C52 C51 C50 120.3(3) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C53 C52 C51 119.8(3) . . ?
C53 C52 H52 120.1 . . ?
C51 C52 H52 120.1 . . ?
C52 C53 C54 120.5(3) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C53 C54 C49 120.2(2) . . ?
C53 C54 H54 119.9 . . ?
C49 C54 H54 119.9 . . ?
Cl6 C55 Cl5 112.7(2) . . ?
Cl6 C55 H55A 109.1 . . ?
Cl5 C55 H55A 109.1 . . ?
Cl6 C55 H55B 109.1 . . ?
Cl5 C55 H55B 109.1 . . ?
H55A C55 H55B 107.8 . . ?

_refine_diff_density_max         0.963
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.098

_shelxl_version_number           2014/6

_database_code_depnum_ccdc_archive 'CCDC 1030195'
#######################################################################
#
#                 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_rad163_0m_a

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C108 H116 Ag8 Cl8 N8 P4, 2(C H2 Cl2)'
_chemical_formula_sum            'C110 H120 Ag8 Cl12 N8 P4'
_chemical_formula_weight         2966.37

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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                   17.9942(16)
_cell_length_b                   16.6328(15)
_cell_length_c                   19.7649(18)
_cell_angle_alpha                90
_cell_angle_beta                 94.399(2)
_cell_angle_gamma                90
_cell_volume                     5898.1(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9343
_cell_measurement_theta_min      2.86
_cell_measurement_theta_max      37.45

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_F_000             2952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.318
_exptl_crystal_size_mid          0.221
_exptl_crystal_size_min          0.114
_exptl_absorpt_coefficient_mu    1.674
_shelx_estimated_absorpt_T_min   0.618
_shelx_estimated_absorpt_T_max   0.832
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            83311
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.843
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             16516
_reflns_number_gt                13105
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16516
_refine_ls_number_parameters     652
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.1380
_refine_ls_wR_factor_gt          0.1212
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.004
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.46982(2) 0.39860(2) 0.66821(2) 0.02015(7) Uani 1 1 d . . . . .
Ag2 Ag 0.43142(2) 0.60850(2) 0.76163(2) 0.02543(7) Uani 1 1 d . . . . .
Ag3 Ag 0.50388(2) 0.79432(2) 0.79913(2) 0.02821(8) Uani 1 1 d . . . . .
Ag4 Ag 0.52648(2) 0.96475(2) 0.92868(2) 0.02615(7) Uani 1 1 d . . . . .
P1 P 0.40128(4) 0.46958(5) 0.74580(4) 0.01697(15) Uani 1 1 d . . . . .
P2 P 0.55143(4) 0.92645(4) 0.81772(4) 0.01560(14) Uani 1 1 d . . . . .
Cl1 Cl 0.55463(4) 0.32829(5) 0.60636(4) 0.02526(16) Uani 1 1 d . . . . .
Cl2 Cl 0.45088(5) 0.68809(5) 0.87268(4) 0.03315(19) Uani 1 1 d . . . . .
Cl3 Cl 0.45722(5) 0.72521(5) 0.68628(4) 0.02663(16) Uani 1 1 d . . . . .
Cl4 Cl 0.56911(5) 0.92569(5) 1.04726(4) 0.02975(18) Uani 1 1 d . . . . .
N1 N 0.27368(15) 0.45509(16) 0.65302(14) 0.0216(5) Uani 1 1 d . . . . .
N2 N 0.24344(15) 0.46898(18) 0.75572(15) 0.0251(6) Uani 1 1 d . . . . .
N3 N 0.69966(14) 0.86962(15) 0.82049(13) 0.0190(5) Uani 1 1 d . . . . .
N4 N 0.69571(14) 0.99947(15) 0.81467(14) 0.0204(5) Uani 1 1 d . . . . .
C1 C 0.30246(17) 0.46205(18) 0.71799(16) 0.0190(6) Uani 1 1 d . . . . .
C2 C 0.19656(19) 0.4581(2) 0.6505(2) 0.0329(8) Uani 1 1 d . . . . .
H2 H 0.1632 0.4550 0.6109 0.039 Uiso 1 1 calc R U . . .
C3 C 0.1780(2) 0.4664(3) 0.7142(2) 0.0360(9) Uani 1 1 d . . . . .
H3 H 0.1289 0.4699 0.7285 0.043 Uiso 1 1 calc R U . . .
C4 C 0.31551(18) 0.44604(19) 0.59351(16) 0.0210(6) Uani 1 1 d . . . . .
C5 C 0.33697(19) 0.5162(2) 0.55952(17) 0.0253(7) Uani 1 1 d . . . . .
C6 C 0.3771(2) 0.5049(2) 0.50279(17) 0.0294(7) Uani 1 1 d . . . . .
H6 H 0.3925 0.5507 0.4788 0.035 Uiso 1 1 calc R U . . .
C7 C 0.39543(19) 0.4294(2) 0.48005(18) 0.0299(7) Uani 1 1 d . . . . .
C8 C 0.37062(18) 0.3619(2) 0.51426(17) 0.0270(7) Uani 1 1 d . . . . .
H8 H 0.3816 0.3098 0.4981 0.032 Uiso 1 1 calc R U . . .
C9 C 0.33051(18) 0.3693(2) 0.57103(17) 0.0234(6) Uani 1 1 d . . . . .
C10 C 0.3160(3) 0.5988(2) 0.5834(2) 0.0350(9) Uani 1 1 d . . . . .
H10A H 0.3378 0.6074 0.6298 0.052 Uiso 1 1 calc R U . . .
H10B H 0.2616 0.6030 0.5826 0.052 Uiso 1 1 calc R U . . .
H10C H 0.3349 0.6396 0.5534 0.052 Uiso 1 1 calc R U . . .
C11 C 0.4432(2) 0.4193(3) 0.42085(19) 0.0422(10) Uani 1 1 d . . . . .
H11A H 0.4405 0.4682 0.3931 0.063 Uiso 1 1 calc R U . . .
H11B H 0.4249 0.3735 0.3931 0.063 Uiso 1 1 calc R U . . .
H11C H 0.4950 0.4096 0.4379 0.063 Uiso 1 1 calc R U . . .
C12 C 0.3031(2) 0.2964(2) 0.6073(2) 0.0334(8) Uani 1 1 d . . . . .
H12A H 0.3204 0.2991 0.6555 0.050 Uiso 1 1 calc R U . . .
H12B H 0.3227 0.2475 0.5874 0.050 Uiso 1 1 calc R U . . .
H12C H 0.2485 0.2951 0.6027 0.050 Uiso 1 1 calc R U . . .
C13 C 0.24714(18) 0.4888(2) 0.82739(18) 0.0275(7) Uani 1 1 d . . . . .
C14 C 0.25920(19) 0.5686(2) 0.84504(18) 0.0283(7) Uani 1 1 d . . . . .
C15 C 0.2673(2) 0.5866(3) 0.9142(2) 0.0363(9) Uani 1 1 d . . . . .
H15 H 0.2781 0.6403 0.9282 0.044 Uiso 1 1 calc R U . . .
C16 C 0.2600(2) 0.5270(3) 0.9630(2) 0.0412(10) Uani 1 1 d . . . . .
C17 C 0.2449(2) 0.4495(3) 0.9422(2) 0.0377(9) Uani 1 1 d . . . . .
H17 H 0.2390 0.4094 0.9757 0.045 Uiso 1 1 calc R U . . .
C18 C 0.23807(19) 0.4273(2) 0.8742(2) 0.0329(8) Uani 1 1 d . . . . .
C19 C 0.2592(2) 0.6356(2) 0.79341(19) 0.0322(8) Uani 1 1 d . . . . .
H19A H 0.2795 0.6155 0.7520 0.048 Uiso 1 1 calc R U . . .
H19B H 0.2902 0.6800 0.8120 0.048 Uiso 1 1 calc R U . . .
H19C H 0.2081 0.6546 0.7828 0.048 Uiso 1 1 calc R U . . .
C20 C 0.2698(3) 0.5484(4) 1.0373(2) 0.0610(15) Uani 1 1 d . . . . .
H20A H 0.2431 0.5092 1.0635 0.092 Uiso 1 1 calc R U . . .
H20B H 0.2497 0.6023 1.0441 0.092 Uiso 1 1 calc R U . . .
H20C H 0.3229 0.5474 1.0525 0.092 Uiso 1 1 calc R U . . .
C21 C 0.2194(2) 0.3430(3) 0.8532(2) 0.0442(10) Uani 1 1 d . . . . .
H21A H 0.1654 0.3383 0.8428 0.066 Uiso 1 1 calc R U . . .
H21B H 0.2352 0.3062 0.8902 0.066 Uiso 1 1 calc R U . . .
H21C H 0.2452 0.3294 0.8128 0.066 Uiso 1 1 calc R U . . .
C22 C 0.41022(16) 0.41253(18) 0.82525(15) 0.0176(5) Uani 1 1 d . . . . .
C23 C 0.43188(18) 0.4508(2) 0.88665(16) 0.0232(6) Uani 1 1 d . . . . .
H23 H 0.4358 0.5078 0.8883 0.028 Uiso 1 1 calc R U . . .
C24 C 0.4477(2) 0.4060(2) 0.94515(18) 0.0301(7) Uani 1 1 d . . . . .
H24 H 0.4621 0.4326 0.9866 0.036 Uiso 1 1 calc R U . . .
C25 C 0.4427(2) 0.3228(3) 0.9438(2) 0.0363(9) Uani 1 1 d . . . . .
H25 H 0.4550 0.2925 0.9838 0.044 Uiso 1 1 calc R U . . .
C26 C 0.4197(2) 0.2845(2) 0.8839(2) 0.0321(8) Uani 1 1 d . . . . .
H26 H 0.4146 0.2277 0.8832 0.038 Uiso 1 1 calc R U . . .
C27 C 0.40398(19) 0.3285(2) 0.82444(18) 0.0261(7) Uani 1 1 d . . . . .
H27 H 0.3890 0.3015 0.7833 0.031 Uiso 1 1 calc R U . . .
C28 C 0.65216(16) 0.93334(17) 0.81461(15) 0.0164(5) Uani 1 1 d . . . . .
C29 C 0.77254(18) 0.8963(2) 0.8245(2) 0.0264(7) Uani 1 1 d . . . . .
H29 H 0.8160 0.8637 0.8293 0.032 Uiso 1 1 calc R U . . .
C30 C 0.77053(17) 0.9771(2) 0.82030(19) 0.0251(7) Uani 1 1 d . . . . .
H30 H 0.8122 1.0122 0.8211 0.030 Uiso 1 1 calc R U . . .
C31 C 0.67873(17) 0.78636(17) 0.82106(15) 0.0178(6) Uani 1 1 d . . . . .
C32 C 0.66254(16) 0.74720(19) 0.75902(16) 0.0201(6) Uani 1 1 d . . . . .
C33 C 0.64058(17) 0.66708(19) 0.76156(17) 0.0230(6) Uani 1 1 d . . . . .
H33 H 0.6287 0.6392 0.7202 0.028 Uiso 1 1 calc R U . . .
C34 C 0.63536(17) 0.62651(19) 0.82227(18) 0.0244(7) Uani 1 1 d . . . . .
C35 C 0.65446(18) 0.66678(19) 0.88275(17) 0.0238(6) Uani 1 1 d . . . . .
H35 H 0.6523 0.6389 0.9245 0.029 Uiso 1 1 calc R U . . .
C36 C 0.67676(17) 0.74736(18) 0.88375(16) 0.0203(6) Uani 1 1 d . . . . .
C37 C 0.6669(2) 0.7896(2) 0.69245(16) 0.0257(7) Uani 1 1 d . . . . .
H37A H 0.6583 0.7509 0.6553 0.039 Uiso 1 1 calc R U . . .
H37B H 0.7163 0.8138 0.6907 0.039 Uiso 1 1 calc R U . . .
H37C H 0.6288 0.8318 0.6879 0.039 Uiso 1 1 calc R U . . .
C38 C 0.6100(2) 0.5405(2) 0.8227(2) 0.0324(8) Uani 1 1 d . . . . .
H38A H 0.5789 0.5291 0.7809 0.049 Uiso 1 1 calc R U . . .
H38B H 0.5809 0.5313 0.8620 0.049 Uiso 1 1 calc R U . . .
H38C H 0.6535 0.5049 0.8255 0.049 Uiso 1 1 calc R U . . .
C39 C 0.6975(2) 0.7906(2) 0.94933(18) 0.0326(8) Uani 1 1 d . . . . .
H39A H 0.6932 0.7536 0.9874 0.049 Uiso 1 1 calc R U . . .
H39B H 0.6638 0.8363 0.9537 0.049 Uiso 1 1 calc R U . . .
H39C H 0.7489 0.8100 0.9496 0.049 Uiso 1 1 calc R U . . .
C40 C 0.67207(16) 1.08253(18) 0.81481(16) 0.0186(6) Uani 1 1 d . . . . .
C41 C 0.66122(16) 1.12331(19) 0.75282(16) 0.0196(6) Uani 1 1 d . . . . .
C42 C 0.63925(17) 1.20362(18) 0.75562(17) 0.0216(6) Uani 1 1 d . . . . .
H42 H 0.6309 1.2330 0.7145 0.026 Uiso 1 1 calc R U . . .
C43 C 0.62923(17) 1.24213(19) 0.81714(18) 0.0235(6) Uani 1 1 d . . . . .
C44 C 0.64198(18) 1.19876(19) 0.87740(18) 0.0237(6) Uani 1 1 d . . . . .
H44 H 0.6350 1.2246 0.9193 0.028 Uiso 1 1 calc R U . . .
C45 C 0.66465(17) 1.11883(18) 0.87777(16) 0.0195(6) Uani 1 1 d . . . . .
C46 C 0.6693(2) 1.0828(2) 0.68587(17) 0.0267(7) Uani 1 1 d . . . . .
H46A H 0.6270 1.0464 0.6756 0.040 Uiso 1 1 calc R U . . .
H46B H 0.7158 1.0520 0.6882 0.040 Uiso 1 1 calc R U . . .
H46C H 0.6702 1.1235 0.6501 0.040 Uiso 1 1 calc R U . . .
C47 C 0.6074(2) 1.3289(2) 0.8180(2) 0.0311(8) Uani 1 1 d . . . . .
H47A H 0.5798 1.3395 0.8579 0.047 Uiso 1 1 calc R U . . .
H47B H 0.5759 1.3416 0.7768 0.047 Uiso 1 1 calc R U . . .
H47C H 0.6523 1.3624 0.8200 0.047 Uiso 1 1 calc R U . . .
C48 C 0.6824(2) 1.0756(2) 0.94366(18) 0.0282(7) Uani 1 1 d . . . . .
H48A H 0.7363 1.0774 0.9555 0.042 Uiso 1 1 calc R U . . .
H48B H 0.6662 1.0195 0.9390 0.042 Uiso 1 1 calc R U . . .
H48C H 0.6564 1.1017 0.9795 0.042 Uiso 1 1 calc R U . . .
C49 C 0.51307(15) 0.99782(17) 0.75373(15) 0.0161(5) Uani 1 1 d . . . . .
C50 C 0.49447(16) 1.07612(18) 0.77139(16) 0.0199(6) Uani 1 1 d . . . . .
H50 H 0.5050 1.0942 0.8167 0.024 Uiso 1 1 calc R U . . .
C51 C 0.46046(19) 1.1280(2) 0.72285(18) 0.0265(7) Uani 1 1 d . . . . .
H51 H 0.4491 1.1817 0.7349 0.032 Uiso 1 1 calc R U . . .
C52 C 0.4433(2) 1.1013(2) 0.65706(19) 0.0314(8) Uani 1 1 d . . . . .
H52 H 0.4201 1.1366 0.6241 0.038 Uiso 1 1 calc R U . . .
C53 C 0.4601(2) 1.0231(2) 0.63931(18) 0.0315(8) Uani 1 1 d . . . . .
H53 H 0.4480 1.0048 0.5943 0.038 Uiso 1 1 calc R U . . .
C54 C 0.49459(18) 0.9713(2) 0.68741(16) 0.0225(6) Uani 1 1 d . . . . .
H54 H 0.5056 0.9177 0.6751 0.027 Uiso 1 1 calc R U . . .
Cl5 Cl 0.42278(6) 0.13339(7) 0.46993(5) 0.0404(2) Uani 1 1 d . . . . .
Cl6 Cl 0.58336(7) 0.12697(9) 0.50317(8) 0.0629(4) Uani 1 1 d . . . . .
C55 C 0.5075(2) 0.1888(3) 0.4778(2) 0.0392(9) Uani 1 1 d . . . . .
H55A H 0.5159 0.2140 0.4337 0.047 Uiso 1 1 calc R U . . .
H55B H 0.5035 0.2323 0.5115 0.047 Uiso 1 1 calc R U . . .


_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
Ag1 Cl1 2.3405(8) . ?
Ag1 P1 2.3573(8) . ?
Ag2 P1 2.3884(8) . ?
Ag2 Cl3 2.5115(8) . ?
Ag2 Cl2 2.5643(9) . ?
Ag3 P2 2.3766(8) . ?
Ag3 Cl2 2.5215(9) . ?
Ag3 Cl3 2.5912(9) . ?
Ag4 P2 2.3596(8) . ?
Ag4 Cl4 2.4957(9) . ?
Ag4 Cl4 2.5752(9) 3_677 ?
Ag4 Ag4 3.2626(5) 3_677 ?
P1 C1 1.825(3) . ?
P1 C22 1.831(3) . ?
P2 C28 1.822(3) . ?
P2 C49 1.831(3) . ?
Cl4 Ag4 2.5751(9) 3_677 ?
N1 C1 1.352(4) . ?
N1 C2 1.386(4) . ?
N1 C4 1.452(4) . ?
N2 C1 1.349(4) . ?
N2 C3 1.383(4) . ?
N2 C13 1.451(4) . ?
N3 C28 1.361(4) . ?
N3 C29 1.381(4) . ?
N3 C31 1.435(4) . ?
N4 C28 1.351(4) . ?
N4 C30 1.393(4) . ?
N4 C40 1.446(4) . ?
C2 C3 1.335(5) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C9 1.384(5) . ?
C4 C5 1.414(4) . ?
C5 C6 1.392(5) . ?
C5 C10 1.511(5) . ?
C6 C7 1.381(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.401(5) . ?
C7 C11 1.513(5) . ?
C8 C9 1.385(5) . ?
C8 H8 0.9500 . ?
C9 C12 1.512(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.384(5) . ?
C13 C18 1.398(5) . ?
C14 C15 1.396(5) . ?
C14 C19 1.511(5) . ?
C15 C16 1.397(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.374(7) . ?
C16 C20 1.506(6) . ?
C17 C18 1.391(6) . ?
C17 H17 0.9500 . ?
C18 C21 1.493(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.399(4) . ?
C22 C27 1.402(4) . ?
C23 C24 1.387(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.386(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.379(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.396(5) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C29 C30 1.347(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.399(4) . ?
C31 C36 1.401(4) . ?
C32 C33 1.392(5) . ?
C32 C37 1.500(4) . ?
C33 C34 1.386(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.390(5) . ?
C34 C38 1.503(4) . ?
C35 C36 1.399(4) . ?
C35 H35 0.9500 . ?
C36 C39 1.504(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.399(4) . ?
C40 C41 1.401(4) . ?
C41 C42 1.395(4) . ?
C41 C46 1.502(5) . ?
C42 C43 1.398(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.396(5) . ?
C43 C47 1.496(4) . ?
C44 C45 1.391(4) . ?
C44 H44 0.9500 . ?
C45 C48 1.500(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.396(4) . ?
C49 C54 1.399(4) . ?
C50 C51 1.396(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.386(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.387(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.393(5) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
Cl5 C55 1.778(4) . ?
Cl6 C55 1.752(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?

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
Cl1 Ag1 P1 169.98(3) . . ?
P1 Ag2 Cl3 136.10(3) . . ?
P1 Ag2 Cl2 128.77(3) . . ?
Cl3 Ag2 Cl2 95.12(3) . . ?
P2 Ag3 Cl2 134.95(3) . . ?
P2 Ag3 Cl3 129.23(3) . . ?
Cl2 Ag3 Cl3 94.21(3) . . ?
P2 Ag4 Cl4 137.39(3) . . ?
P2 Ag4 Cl4 122.69(3) . 3_677 ?
Cl4 Ag4 Cl4 99.92(3) . 3_677 ?
P2 Ag4 Ag4 171.57(2) . 3_677 ?
Cl4 Ag4 Ag4 51.03(2) . 3_677 ?
Cl4 Ag4 Ag4 48.893(19) 3_677 3_677 ?
C1 P1 C22 104.02(14) . . ?
C1 P1 Ag1 108.42(10) . . ?
C22 P1 Ag1 106.40(10) . . ?
C1 P1 Ag2 108.19(10) . . ?
C22 P1 Ag2 112.64(10) . . ?
Ag1 P1 Ag2 116.41(3) . . ?
C28 P2 C49 105.03(13) . . ?
C28 P2 Ag4 105.97(10) . . ?
C49 P2 Ag4 112.24(10) . . ?
C28 P2 Ag3 113.59(10) . . ?
C49 P2 Ag3 112.37(10) . . ?
Ag4 P2 Ag3 107.54(3) . . ?
Ag3 Cl2 Ag2 84.32(3) . . ?
Ag2 Cl3 Ag3 83.97(3) . . ?
Ag4 Cl4 Ag4 80.08(3) . 3_677 ?
C1 N1 C2 109.9(3) . . ?
C1 N1 C4 126.4(3) . . ?
C2 N1 C4 123.7(3) . . ?
C1 N2 C3 109.9(3) . . ?
C1 N2 C13 125.5(3) . . ?
C3 N2 C13 124.0(3) . . ?
C28 N3 C29 110.0(3) . . ?
C28 N3 C31 126.1(3) . . ?
C29 N3 C31 123.9(3) . . ?
C28 N4 C30 109.9(3) . . ?
C28 N4 C40 127.4(3) . . ?
C30 N4 C40 122.5(3) . . ?
N2 C1 N1 105.8(3) . . ?
N2 C1 P1 128.2(2) . . ?
N1 C1 P1 125.8(2) . . ?
C3 C2 N1 107.0(3) . . ?
C3 C2 H2 126.5 . . ?
N1 C2 H2 126.5 . . ?
C2 C3 N2 107.4(3) . . ?
C2 C3 H3 126.3 . . ?
N2 C3 H3 126.3 . . ?
C9 C4 C5 122.7(3) . . ?
C9 C4 N1 118.8(3) . . ?
C5 C4 N1 118.5(3) . . ?
C6 C5 C4 116.7(3) . . ?
C6 C5 C10 122.2(3) . . ?
C4 C5 C10 121.2(3) . . ?
C7 C6 C5 122.4(3) . . ?
C7 C6 H6 118.8 . . ?
C5 C6 H6 118.8 . . ?
C6 C7 C8 118.5(3) . . ?
C6 C7 C11 121.1(4) . . ?
C8 C7 C11 120.3(4) . . ?
C9 C8 C7 121.7(3) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C4 117.9(3) . . ?
C8 C9 C12 121.5(3) . . ?
C4 C9 C12 120.6(3) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 124.0(3) . . ?
C14 C13 N2 117.3(3) . . ?
C18 C13 N2 118.7(3) . . ?
C13 C14 C15 117.1(4) . . ?
C13 C14 C19 123.0(3) . . ?
C15 C14 C19 119.8(4) . . ?
C16 C15 C14 121.1(4) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C17 C16 C15 119.1(4) . . ?
C17 C16 C20 121.2(4) . . ?
C15 C16 C20 119.7(5) . . ?
C16 C17 C18 122.6(4) . . ?
C16 C17 H17 118.7 . . ?
C18 C17 H17 118.7 . . ?
C17 C18 C13 116.1(4) . . ?
C17 C18 C21 121.3(4) . . ?
C13 C18 C21 122.6(4) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C27 118.7(3) . . ?
C23 C22 P1 120.5(2) . . ?
C27 C22 P1 120.3(2) . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C23 120.8(4) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C24 119.5(3) . . ?
C26 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
C25 C26 C27 120.6(3) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C26 C27 C22 120.1(3) . . ?
C26 C27 H27 119.9 . . ?
C22 C27 H27 119.9 . . ?
N4 C28 N3 105.9(2) . . ?
N4 C28 P2 129.0(2) . . ?
N3 C28 P2 124.6(2) . . ?
C30 C29 N3 107.2(3) . . ?
C30 C29 H29 126.4 . . ?
N3 C29 H29 126.4 . . ?
C29 C30 N4 107.0(3) . . ?
C29 C30 H30 126.5 . . ?
N4 C30 H30 126.5 . . ?
C32 C31 C36 122.8(3) . . ?
C32 C31 N3 118.6(3) . . ?
C36 C31 N3 118.6(3) . . ?
C33 C32 C31 117.0(3) . . ?
C33 C32 C37 121.0(3) . . ?
C31 C32 C37 121.9(3) . . ?
C34 C33 C32 122.4(3) . . ?
C34 C33 H33 118.8 . . ?
C32 C33 H33 118.8 . . ?
C33 C34 C35 118.8(3) . . ?
C33 C34 C38 120.6(3) . . ?
C35 C34 C38 120.6(3) . . ?
C34 C35 C36 121.7(3) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 H35 119.1 . . ?
C35 C36 C31 117.2(3) . . ?
C35 C36 C39 121.5(3) . . ?
C31 C36 C39 121.3(3) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 C41 123.5(3) . . ?
C45 C40 N4 117.5(3) . . ?
C41 C40 N4 118.8(3) . . ?
C42 C41 C40 116.7(3) . . ?
C42 C41 C46 120.7(3) . . ?
C40 C41 C46 122.5(3) . . ?
C41 C42 C43 121.9(3) . . ?
C41 C42 H42 119.0 . . ?
C43 C42 H42 119.0 . . ?
C44 C43 C42 118.8(3) . . ?
C44 C43 C47 120.9(3) . . ?
C42 C43 C47 120.3(3) . . ?
C45 C44 C43 121.8(3) . . ?
C45 C44 H44 119.1 . . ?
C43 C44 H44 119.1 . . ?
C44 C45 C40 117.1(3) . . ?
C44 C45 C48 120.4(3) . . ?
C40 C45 C48 122.5(3) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 118.9(3) . . ?
C50 C49 P2 121.2(2) . . ?
C54 C49 P2 119.5(2) . . ?
C51 C50 C49 120.4(3) . . ?
C51 C50 H50 119.8 . . ?
C49 C50 H50 119.8 . . ?
C52 C51 C50 120.0(3) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C53 120.1(3) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 C54 120.1(3) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 C49 120.4(3) . . ?
C53 C54 H54 119.8 . . ?
C49 C54 H54 119.8 . . ?
Cl6 C55 Cl5 111.4(2) . . ?
Cl6 C55 H55A 109.4 . . ?
Cl5 C55 H55A 109.4 . . ?
Cl6 C55 H55B 109.4 . . ?
Cl5 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?

_refine_diff_density_max         1.910
_refine_diff_density_min         -1.369
_refine_diff_density_rms         0.125

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 1030196'
#######################################################################
#
#                 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_rad162_0m_a

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H29 Au2 Cl2 N2 P'
_chemical_formula_sum            'C27 H29 Au2 Cl2 N2 P'
_chemical_formula_weight         877.32

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'
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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                   14.2115(11)
_cell_length_b                   11.7065(9)
_cell_length_c                   16.6136(13)
_cell_angle_alpha                90
_cell_angle_beta                 98.0400(19)
_cell_angle_gamma                90
_cell_volume                     2736.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9926
_cell_measurement_theta_min      3.03
_cell_measurement_theta_max      39.63

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.129
_exptl_crystal_F_000             1648
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    10.981
_shelx_estimated_absorpt_T_min   0.170
_shelx_estimated_absorpt_T_max   0.610
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.416
_exptl_absorpt_correction_T_max  0.747
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48639
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.027
_diffrn_reflns_theta_max         33.141
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10423
_reflns_number_gt                8500
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10423
_refine_ls_number_parameters     313
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0905
_refine_ls_wR_factor_gt          0.0838
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.72675(2) 0.53227(2) 0.88525(2) 0.01283(4) Uani 1 1 d . . . . .
Au2 Au 0.76997(2) 0.23140(2) 0.83499(2) 0.01265(4) Uani 1 1 d . . . . .
P P 0.71419(8) 0.40096(9) 0.78642(6) 0.01156(18) Uani 1 1 d . . . . .
Cl1 Cl 0.73580(8) 0.65319(10) 0.99494(7) 0.0227(2) Uani 1 1 d . . . . .
Cl2 Cl 0.83102(8) 0.05910(9) 0.88373(6) 0.0190(2) Uani 1 1 d . . . . .
N1 N 0.8687(3) 0.5035(3) 0.7210(2) 0.0133(6) Uani 1 1 d . . . . .
N2 N 0.7889(3) 0.3903(3) 0.6333(2) 0.0142(6) Uani 1 1 d . . . . .
C1 C 0.7902(3) 0.4363(3) 0.7086(2) 0.0109(7) Uani 1 1 d . . . . .
C2 C 0.9158(3) 0.4993(4) 0.6535(3) 0.0175(8) Uani 1 1 d . . . . .
H2 H 0.9727 0.5387 0.6468 0.021 Uiso 1 1 calc R U . . .
C3 C 0.8665(3) 0.4294(4) 0.5992(3) 0.0194(8) Uani 1 1 d . . . . .
H3 H 0.8819 0.4102 0.5470 0.023 Uiso 1 1 calc R U . . .
C4 C 0.8962(3) 0.5800(3) 0.7891(2) 0.0126(7) Uani 1 1 d . . . . .
C5 C 0.8566(3) 0.6900(4) 0.7841(3) 0.0170(8) Uani 1 1 d . . . . .
C6 C 0.8825(3) 0.7621(4) 0.8500(3) 0.0175(8) Uani 1 1 d . . . . .
H6 H 0.8579 0.8377 0.8486 0.021 Uiso 1 1 calc R U . . .
C7 C 0.9440(3) 0.7256(4) 0.9185(3) 0.0172(8) Uani 1 1 d . . . . .
C8 C 0.9849(3) 0.6173(4) 0.9186(3) 0.0162(8) Uani 1 1 d . . . . .
H8 H 1.0292 0.5941 0.9638 0.019 Uiso 1 1 calc R U . . .
C9 C 0.9618(3) 0.5420(3) 0.8529(3) 0.0148(8) Uani 1 1 d . . . . .
C10 C 0.7878(4) 0.7282(4) 0.7122(3) 0.0219(9) Uani 1 1 d . . . . .
H10A H 0.7740 0.8097 0.7176 0.033 Uiso 1 1 calc R U . . .
H10B H 0.7287 0.6843 0.7099 0.033 Uiso 1 1 calc R U . . .
H10C H 0.8156 0.7156 0.6622 0.033 Uiso 1 1 calc R U . . .
C11 C 0.9609(3) 0.8015(4) 0.9928(3) 0.0205(9) Uani 1 1 d . . . . .
H11A H 0.9128 0.7855 1.0282 0.031 Uiso 1 1 calc R U . . .
H11B H 0.9565 0.8818 0.9759 0.031 Uiso 1 1 calc R U . . .
H11C H 1.0242 0.7864 1.0224 0.031 Uiso 1 1 calc R U . . .
C12 C 1.0068(3) 0.4257(4) 0.8526(3) 0.0225(9) Uani 1 1 d . . . . .
H12A H 0.9586 0.3669 0.8567 0.034 Uiso 1 1 calc R U . . .
H12B H 1.0573 0.4192 0.8991 0.034 Uiso 1 1 calc R U . . .
H12C H 1.0339 0.4153 0.8021 0.034 Uiso 1 1 calc R U . . .
C13 C 0.7142(3) 0.3245(4) 0.5855(2) 0.0153(8) Uani 1 1 d . . . . .
C14 C 0.6478(3) 0.3879(4) 0.5340(3) 0.0187(8) Uani 1 1 d . . . . .
C15 C 0.5791(3) 0.3262(5) 0.4835(3) 0.0267(10) Uani 1 1 d . . . . .
H15 H 0.5325 0.3666 0.4479 0.032 Uiso 1 1 calc R U . . .
C16 C 0.5768(3) 0.2072(5) 0.4837(3) 0.0255(10) Uani 1 1 d . . . . .
C17 C 0.6447(3) 0.1489(4) 0.5356(3) 0.0214(9) Uani 1 1 d . . . . .
H17 H 0.6425 0.0678 0.5368 0.026 Uiso 1 1 calc R U . . .
C18 C 0.7168(3) 0.2061(4) 0.5867(3) 0.0162(8) Uani 1 1 d . . . . .
C19 C 0.6498(4) 0.5157(4) 0.5328(3) 0.0288(11) Uani 1 1 d . . . . .
H19A H 0.5954 0.5442 0.4955 0.043 Uiso 1 1 calc R U . . .
H19B H 0.7089 0.5417 0.5145 0.043 Uiso 1 1 calc R U . . .
H19C H 0.6466 0.5449 0.5876 0.043 Uiso 1 1 calc R U . . .
C20 C 0.5010(4) 0.1440(5) 0.4280(3) 0.0350(14) Uani 1 1 d . . . . .
H20A H 0.5196 0.0638 0.4242 0.052 Uiso 1 1 calc R U . . .
H20B H 0.4937 0.1787 0.3739 0.052 Uiso 1 1 calc R U . . .
H20C H 0.4406 0.1485 0.4499 0.052 Uiso 1 1 calc R U . . .
C21 C 0.7898(3) 0.1373(4) 0.6394(3) 0.0232(9) Uani 1 1 d . . . . .
H21A H 0.8474 0.1832 0.6535 0.035 Uiso 1 1 calc R U . . .
H21B H 0.8050 0.0687 0.6100 0.035 Uiso 1 1 calc R U . . .
H21C H 0.7647 0.1151 0.6892 0.035 Uiso 1 1 calc R U . . .
C22 C 0.5932(3) 0.3902(4) 0.7326(2) 0.0151(7) Uani 1 1 d . . . . .
C23 C 0.5551(3) 0.2862(4) 0.7049(3) 0.0184(8) Uani 1 1 d . . . . .
H23 H 0.5942 0.2200 0.7098 0.022 Uiso 1 1 calc R U . . .
C24 C 0.4604(3) 0.2769(4) 0.6698(3) 0.0237(10) Uani 1 1 d . . . . .
H24 H 0.4353 0.2054 0.6501 0.028 Uiso 1 1 calc R U . . .
C25 C 0.4033(3) 0.3731(5) 0.6638(3) 0.0256(10) Uani 1 1 d . . . . .
H25 H 0.3383 0.3670 0.6410 0.031 Uiso 1 1 calc R U . . .
C26 C 0.4400(3) 0.4786(4) 0.6910(3) 0.0233(9) Uani 1 1 d . . . . .
H26 H 0.4003 0.5443 0.6867 0.028 Uiso 1 1 calc R U . . .
C27 C 0.5351(3) 0.4875(4) 0.7244(3) 0.0181(8) Uani 1 1 d . . . . .
H27 H 0.5608 0.5598 0.7418 0.022 Uiso 1 1 calc R U . . .


_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
Au1 P 2.2380(10) . ?
Au1 Cl1 2.2969(10) . ?
Au2 P 2.2452(10) . ?
Au2 Cl2 2.2979(10) . ?
P C22 1.828(4) . ?
P C1 1.843(4) . ?
N1 C1 1.358(5) . ?
N1 C2 1.385(5) . ?
N1 C4 1.453(5) . ?
N2 C1 1.360(5) . ?
N2 C3 1.386(5) . ?
N2 C13 1.455(5) . ?
C2 C3 1.341(6) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C9 1.383(6) . ?
C4 C5 1.404(6) . ?
C5 C6 1.392(6) . ?
C5 C10 1.501(6) . ?
C6 C7 1.401(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.395(6) . ?
C7 C11 1.512(6) . ?
C8 C9 1.406(6) . ?
C8 H8 0.9500 . ?
C9 C12 1.505(6) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.386(6) . ?
C13 C14 1.397(6) . ?
C14 C15 1.396(7) . ?
C14 C19 1.496(7) . ?
C15 C16 1.393(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(7) . ?
C16 C20 1.511(7) . ?
C17 C18 1.406(6) . ?
C17 H17 0.9500 . ?
C18 C21 1.495(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.384(6) . ?
C22 C27 1.402(6) . ?
C23 C24 1.395(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.392(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.392(6) . ?
C26 H26 0.9500 . ?
C27 H27 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
P Au1 Cl1 174.41(4) . . ?
P Au2 Cl2 178.44(4) . . ?
C22 P C1 106.03(18) . . ?
C22 P Au1 112.28(14) . . ?
C1 P Au1 111.47(13) . . ?
C22 P Au2 112.04(14) . . ?
C1 P Au2 103.78(13) . . ?
Au1 P Au2 110.83(4) . . ?
C1 N1 C2 109.7(3) . . ?
C1 N1 C4 126.9(3) . . ?
C2 N1 C4 123.1(4) . . ?
C1 N2 C3 109.7(4) . . ?
C1 N2 C13 128.8(3) . . ?
C3 N2 C13 120.9(3) . . ?
N1 C1 N2 105.8(3) . . ?
N1 C1 P 125.0(3) . . ?
N2 C1 P 128.5(3) . . ?
C3 C2 N1 107.5(4) . . ?
C3 C2 H2 126.2 . . ?
N1 C2 H2 126.2 . . ?
C2 C3 N2 107.3(4) . . ?
C2 C3 H3 126.4 . . ?
N2 C3 H3 126.4 . . ?
C9 C4 C5 124.3(4) . . ?
C9 C4 N1 118.5(4) . . ?
C5 C4 N1 117.2(4) . . ?
C6 C5 C4 116.7(4) . . ?
C6 C5 C10 121.1(4) . . ?
C4 C5 C10 122.2(4) . . ?
C5 C6 C7 121.4(4) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C8 C7 C6 119.4(4) . . ?
C8 C7 C11 121.0(4) . . ?
C6 C7 C11 119.5(4) . . ?
C7 C8 C9 121.1(4) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
C4 C9 C8 116.9(4) . . ?
C4 C9 C12 122.0(4) . . ?
C8 C9 C12 121.0(4) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 123.7(4) . . ?
C18 C13 N2 120.4(4) . . ?
C14 C13 N2 115.6(4) . . ?
C15 C14 C13 116.6(5) . . ?
C15 C14 C19 121.6(4) . . ?
C13 C14 C19 121.8(4) . . ?
C16 C15 C14 122.1(5) . . ?
C16 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C17 C16 C15 118.7(4) . . ?
C17 C16 C20 121.0(5) . . ?
C15 C16 C20 120.2(5) . . ?
C16 C17 C18 121.9(5) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.1 . . ?
C13 C18 C17 116.8(4) . . ?
C13 C18 C21 124.2(4) . . ?
C17 C18 C21 119.0(4) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C27 119.0(4) . . ?
C23 C22 P 121.4(3) . . ?
C27 C22 P 119.5(3) . . ?
C22 C23 C24 121.1(4) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C25 C24 C23 119.3(4) . . ?
C25 C24 H24 120.4 . . ?
C23 C24 H24 120.4 . . ?
C24 C25 C26 120.6(4) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C27 C26 C25 119.7(4) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 C22 120.2(4) . . ?
C26 C27 H27 119.9 . . ?
C22 C27 H27 119.9 . . ?

_refine_diff_density_max         2.617
_refine_diff_density_min         -1.299
_refine_diff_density_rms         0.247

_shelxl_version_number           2014-3

_database_code_depnum_ccdc_archive 'CCDC 1030197'
#######################################################################
#
#                 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_rad160_0m_a

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C108 H116 Br8 Cu8 N8 P4, 2(C H2 Cl2)'
_chemical_formula_sum            'C110 H120 Br8 Cl4 Cu8 N8 P4'
_chemical_formula_weight         2967.41

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'
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'
Cu Cu 0.3201 1.2651 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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                   17.9154(14)
_cell_length_b                   16.5873(13)
_cell_length_c                   19.6521(16)
_cell_angle_alpha                90
_cell_angle_beta                 94.218(2)
_cell_angle_gamma                90
_cell_volume                     5824.2(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9576
_cell_measurement_theta_min      2.85
_cell_measurement_theta_max      33.85

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_F_000             2952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.283
_exptl_crystal_size_mid          0.227
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    4.371
_shelx_estimated_absorpt_T_min   0.371
_shelx_estimated_absorpt_T_max   0.845
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.493
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   SADABS
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            73695
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_av_R_equivalents  0.0981
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.727
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14448
_reflns_number_gt                10867
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1100P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14448
_refine_ls_number_parameters     652
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0560
_refine_ls_wR_factor_ref         0.1695
_refine_ls_wR_factor_gt          0.1451
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.46758(3) -0.07571(3) 0.67551(3) 0.01755(14) Uani 1 1 d . . . . .
Cu2 Cu 0.43410(3) 0.12143(3) 0.77435(3) 0.01776(14) Uani 1 1 d . . . . .
Cu3 Cu 0.50372(3) 0.29799(3) 0.80861(3) 0.01671(13) Uani 1 1 d . . . . .
Cu4 Cu 0.52133(3) 0.46708(3) 0.93037(3) 0.01616(13) Uani 1 1 d . . . . .
Br1 Br 0.53995(3) -0.16374(3) 0.62315(3) 0.02244(12) Uani 1 1 d . . . . .
Br2 Br 0.45697(3) 0.19455(3) 0.88159(2) 0.02139(12) Uani 1 1 d . . . . .
Br3 Br 0.45340(3) 0.23516(3) 0.69952(2) 0.01924(12) Uani 1 1 d . . . . .
Br4 Br 0.55526(3) 0.41674(3) 1.04369(2) 0.02103(12) Uani 1 1 d . . . . .
P1 P 0.40836(6) -0.00665(7) 0.74954(6) 0.0128(2) Uani 1 1 d . . . . .
P2 P 0.54474(6) 0.42210(6) 0.82877(6) 0.0118(2) Uani 1 1 d . . . . .
N1 N 0.2817(2) -0.0270(2) 0.6542(2) 0.0180(8) Uani 1 1 d . . . . .
N2 N 0.2490(2) -0.0107(3) 0.7569(2) 0.0199(8) Uani 1 1 d . . . . .
N3 N 0.6929(2) 0.3620(2) 0.8290(2) 0.0164(8) Uani 1 1 d . . . . .
N4 N 0.6923(2) 0.4920(2) 0.8252(2) 0.0160(8) Uani 1 1 d . . . . .
C1 C 0.3094(3) -0.0166(3) 0.7195(2) 0.0145(9) Uani 1 1 d . . . . .
C2 C 0.2046(3) -0.0260(4) 0.6507(3) 0.0272(12) Uani 1 1 d . . . . .
H2 H 0.1720 -0.0316 0.6106 0.033 Uiso 1 1 calc R U . . .
C3 C 0.1841(3) -0.0156(4) 0.7143(3) 0.0275(12) Uani 1 1 d . . . . .
H3 H 0.1343 -0.0122 0.7277 0.033 Uiso 1 1 calc R U . . .
C4 C 0.3237(3) -0.0414(3) 0.5953(2) 0.0157(9) Uani 1 1 d . . . . .
C5 C 0.3466(3) 0.0245(3) 0.5570(2) 0.0198(10) Uani 1 1 d . . . . .
C6 C 0.3838(3) 0.0079(3) 0.4997(3) 0.0245(11) Uani 1 1 d . . . . .
H6 H 0.4008 0.0513 0.4734 0.029 Uiso 1 1 calc R U . . .
C7 C 0.3969(3) -0.0709(3) 0.4794(3) 0.0233(11) Uani 1 1 d . . . . .
C8 C 0.3714(3) -0.1336(3) 0.5175(3) 0.0215(10) Uani 1 1 d . . . . .
H8 H 0.3794 -0.1874 0.5032 0.026 Uiso 1 1 calc R U . . .
C9 C 0.3348(3) -0.1205(3) 0.5757(3) 0.0202(10) Uani 1 1 d . . . . .
C10 C 0.3299(3) 0.1095(3) 0.5776(3) 0.0297(12) Uani 1 1 d . . . . .
H10A H 0.3468 0.1471 0.5435 0.045 Uiso 1 1 calc R U . . .
H10B H 0.3560 0.1212 0.6221 0.045 Uiso 1 1 calc R U . . .
H10C H 0.2758 0.1158 0.5808 0.045 Uiso 1 1 calc R U . . .
C11 C 0.4414(3) -0.0875(4) 0.4182(3) 0.0346(14) Uani 1 1 d . . . . .
H11A H 0.4946 -0.0922 0.4331 0.052 Uiso 1 1 calc R U . . .
H11B H 0.4343 -0.0431 0.3854 0.052 Uiso 1 1 calc R U . . .
H11C H 0.4241 -0.1380 0.3964 0.052 Uiso 1 1 calc R U . . .
C12 C 0.3072(3) -0.1899(3) 0.6169(3) 0.0280(12) Uani 1 1 d . . . . .
H12A H 0.2529 -0.1956 0.6077 0.042 Uiso 1 1 calc R U . . .
H12B H 0.3188 -0.1794 0.6656 0.042 Uiso 1 1 calc R U . . .
H12C H 0.3319 -0.2398 0.6041 0.042 Uiso 1 1 calc R U . . .
C13 C 0.2511(3) 0.0090(3) 0.8289(2) 0.0195(10) Uani 1 1 d . . . . .
C14 C 0.2617(3) 0.0899(3) 0.8468(3) 0.0238(11) Uani 1 1 d . . . . .
C15 C 0.2665(3) 0.1072(4) 0.9161(3) 0.0296(12) Uani 1 1 d . . . . .
H15 H 0.2767 0.1609 0.9307 0.036 Uiso 1 1 calc R U . . .
C16 C 0.2567(3) 0.0481(4) 0.9644(3) 0.0309(13) Uani 1 1 d . . . . .
C17 C 0.2427(3) -0.0298(4) 0.9435(3) 0.0309(13) Uani 1 1 d . . . . .
H17 H 0.2347 -0.0696 0.9769 0.037 Uiso 1 1 calc R U . . .
C18 C 0.2396(3) -0.0530(3) 0.8747(3) 0.0249(11) Uani 1 1 d . . . . .
C19 C 0.2641(3) 0.1553(3) 0.7944(3) 0.0265(11) Uani 1 1 d . . . . .
H19A H 0.2130 0.1728 0.7804 0.040 Uiso 1 1 calc R U . . .
H19B H 0.2881 0.1349 0.7546 0.040 Uiso 1 1 calc R U . . .
H19C H 0.2928 0.2012 0.8140 0.040 Uiso 1 1 calc R U . . .
C20 C 0.2631(5) 0.0697(5) 1.0390(3) 0.056(2) Uani 1 1 d . . . . .
H20A H 0.2377 0.0286 1.0648 0.083 Uiso 1 1 calc R U . . .
H20B H 0.2397 0.1223 1.0454 0.083 Uiso 1 1 calc R U . . .
H20C H 0.3160 0.0721 1.0555 0.083 Uiso 1 1 calc R U . . .
C21 C 0.2229(3) -0.1374(4) 0.8522(3) 0.0354(14) Uani 1 1 d . . . . .
H21A H 0.1705 -0.1414 0.8346 0.053 Uiso 1 1 calc R U . . .
H21B H 0.2321 -0.1741 0.8910 0.053 Uiso 1 1 calc R U . . .
H21C H 0.2554 -0.1523 0.8161 0.053 Uiso 1 1 calc R U . . .
C22 C 0.4156(2) -0.0730(3) 0.8251(2) 0.0152(9) Uani 1 1 d . . . . .
C23 C 0.4118(3) -0.1571(3) 0.8167(3) 0.0202(10) Uani 1 1 d . . . . .
H23 H 0.4006 -0.1796 0.7727 0.024 Uiso 1 1 calc R U . . .
C24 C 0.4245(3) -0.2074(3) 0.8732(3) 0.0277(12) Uani 1 1 d . . . . .
H24 H 0.4197 -0.2641 0.8677 0.033 Uiso 1 1 calc R U . . .
C25 C 0.4441(3) -0.1758(3) 0.9371(3) 0.0279(12) Uani 1 1 d . . . . .
H25 H 0.4548 -0.2106 0.9749 0.033 Uiso 1 1 calc R U . . .
C26 C 0.4480(3) -0.0927(3) 0.9457(3) 0.0263(11) Uani 1 1 d . . . . .
H26 H 0.4602 -0.0707 0.9898 0.032 Uiso 1 1 calc R U . . .
C27 C 0.4340(3) -0.0414(3) 0.8896(2) 0.0188(10) Uani 1 1 d . . . . .
H27 H 0.4370 0.0154 0.8958 0.023 Uiso 1 1 calc R U . . .
C28 C 0.6462(2) 0.4269(3) 0.8251(2) 0.0133(9) Uani 1 1 d . . . . .
C29 C 0.7669(3) 0.3864(3) 0.8318(3) 0.0207(10) Uani 1 1 d . . . . .
H29 H 0.8099 0.3526 0.8350 0.025 Uiso 1 1 calc R U . . .
C30 C 0.7661(3) 0.4676(3) 0.8291(3) 0.0225(10) Uani 1 1 d . . . . .
H30 H 0.8087 0.5018 0.8298 0.027 Uiso 1 1 calc R U . . .
C31 C 0.6716(3) 0.2780(3) 0.8272(2) 0.0150(9) Uani 1 1 d . . . . .
C32 C 0.6727(3) 0.2356(3) 0.8885(3) 0.0185(9) Uani 1 1 d . . . . .
C33 C 0.6547(3) 0.1545(3) 0.8850(3) 0.0196(10) Uani 1 1 d . . . . .
H33 H 0.6551 0.1242 0.9260 0.023 Uiso 1 1 calc R U . . .
C34 C 0.6362(3) 0.1161(3) 0.8233(3) 0.0206(10) Uani 1 1 d . . . . .
C35 C 0.6386(3) 0.1600(3) 0.7636(3) 0.0188(10) Uani 1 1 d . . . . .
H35 H 0.6273 0.1337 0.7212 0.023 Uiso 1 1 calc R U . . .
C36 C 0.6571(3) 0.2418(3) 0.7637(3) 0.0174(9) Uani 1 1 d . . . . .
C37 C 0.6922(3) 0.2772(3) 0.9554(3) 0.0270(11) Uani 1 1 d . . . . .
H37A H 0.7424 0.3006 0.9552 0.040 Uiso 1 1 calc R U . . .
H37B H 0.6911 0.2380 0.9927 0.040 Uiso 1 1 calc R U . . .
H37C H 0.6557 0.3200 0.9619 0.040 Uiso 1 1 calc R U . . .
C38 C 0.6149(3) 0.0283(3) 0.8204(3) 0.0289(12) Uani 1 1 d . . . . .
H38A H 0.6598 -0.0046 0.8168 0.043 Uiso 1 1 calc R U . . .
H38B H 0.5799 0.0187 0.7805 0.043 Uiso 1 1 calc R U . . .
H38C H 0.5909 0.0136 0.8619 0.043 Uiso 1 1 calc R U . . .
C39 C 0.6605(3) 0.2870(3) 0.6980(3) 0.0252(11) Uani 1 1 d . . . . .
H39A H 0.6271 0.3338 0.6979 0.038 Uiso 1 1 calc R U . . .
H39B H 0.6448 0.2515 0.6597 0.038 Uiso 1 1 calc R U . . .
H39C H 0.7119 0.3053 0.6933 0.038 Uiso 1 1 calc R U . . .
C40 C 0.6709(3) 0.5763(3) 0.8239(3) 0.0180(10) Uani 1 1 d . . . . .
C41 C 0.6625(3) 0.6148(3) 0.7611(2) 0.0169(9) Uani 1 1 d . . . . .
C42 C 0.6435(3) 0.6960(3) 0.7618(3) 0.0192(10) Uani 1 1 d . . . . .
H42 H 0.6373 0.7242 0.7197 0.023 Uiso 1 1 calc R U . . .
C43 C 0.6333(3) 0.7374(3) 0.8218(3) 0.0209(10) Uani 1 1 d . . . . .
C44 C 0.6436(3) 0.6957(3) 0.8837(3) 0.0210(10) Uani 1 1 d . . . . .
H44 H 0.6371 0.7235 0.9251 0.025 Uiso 1 1 calc R U . . .
C45 C 0.6632(3) 0.6149(3) 0.8860(3) 0.0179(9) Uani 1 1 d . . . . .
C46 C 0.6703(3) 0.5723(3) 0.6943(3) 0.0234(11) Uani 1 1 d . . . . .
H46A H 0.6211 0.5530 0.6760 0.035 Uiso 1 1 calc R U . . .
H46B H 0.7043 0.5263 0.7016 0.035 Uiso 1 1 calc R U . . .
H46C H 0.6905 0.6098 0.6618 0.035 Uiso 1 1 calc R U . . .
C47 C 0.6140(3) 0.8256(3) 0.8208(3) 0.0285(12) Uani 1 1 d . . . . .
H47A H 0.6595 0.8574 0.8166 0.043 Uiso 1 1 calc R U . . .
H47B H 0.5918 0.8400 0.8632 0.043 Uiso 1 1 calc R U . . .
H47C H 0.5781 0.8368 0.7819 0.043 Uiso 1 1 calc R U . . .
C48 C 0.6770(3) 0.5724(3) 0.9536(3) 0.0249(11) Uani 1 1 d . . . . .
H48A H 0.6506 0.5206 0.9520 0.037 Uiso 1 1 calc R U . . .
H48B H 0.6586 0.6059 0.9899 0.037 Uiso 1 1 calc R U . . .
H48C H 0.7308 0.5630 0.9629 0.037 Uiso 1 1 calc R U . . .
C49 C 0.5101(2) 0.4920(3) 0.7611(2) 0.0116(8) Uani 1 1 d . . . . .
C50 C 0.4946(3) 0.5727(3) 0.7750(2) 0.0147(9) Uani 1 1 d . . . . .
H50 H 0.5057 0.5934 0.8197 0.018 Uiso 1 1 calc R U . . .
C51 C 0.4630(3) 0.6229(3) 0.7241(3) 0.0196(10) Uani 1 1 d . . . . .
H51 H 0.4531 0.6777 0.7342 0.024 Uiso 1 1 calc R U . . .
C52 C 0.4461(3) 0.5939(3) 0.6592(3) 0.0227(10) Uani 1 1 d . . . . .
H52 H 0.4248 0.6289 0.6248 0.027 Uiso 1 1 calc R U . . .
C53 C 0.4599(3) 0.5131(3) 0.6436(2) 0.0221(10) Uani 1 1 d . . . . .
H53 H 0.4475 0.4927 0.5990 0.027 Uiso 1 1 calc R U . . .
C54 C 0.4924(3) 0.4632(3) 0.6948(2) 0.0164(9) Uani 1 1 d . . . . .
H54 H 0.5027 0.4086 0.6844 0.020 Uiso 1 1 calc R U . . .
Cl1 Cl 0.09183(13) 0.86198(17) 1.01610(13) 0.0769(7) Uani 1 1 d . . . . .
Cl2 Cl -0.06600(11) 0.86146(12) 0.96965(9) 0.0506(4) Uani 1 1 d . . . . .
C55 C 0.0172(4) 0.8059(4) 0.9792(3) 0.0469(17) Uani 1 1 d . . . . .
H55A H 0.0093 0.7582 1.0080 0.056 Uiso 1 1 calc R U . . .
H55B H 0.0300 0.7865 0.9339 0.056 Uiso 1 1 calc R U . . .


_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
Cu1 P1 2.1867(13) . ?
Cu1 Br1 2.2512(8) . ?
Cu2 P1 2.2205(13) . ?
Cu2 Br3 2.4323(7) . ?
Cu2 Br2 2.4400(8) . ?
Cu3 P2 2.2117(12) . ?
Cu3 Br2 2.4248(7) . ?
Cu3 Br3 2.4922(7) . ?
Cu4 P2 2.2006(13) . ?
Cu4 Br4 2.4140(7) . ?
Cu4 Br4 2.4412(7) 3_667 ?
Br4 Cu4 2.4412(7) 3_667 ?
P1 C1 1.834(5) . ?
P1 C22 1.846(5) . ?
P2 C28 1.827(5) . ?
P2 C49 1.838(4) . ?
N1 C1 1.353(6) . ?
N1 C2 1.378(6) . ?
N1 C4 1.445(6) . ?
N2 C1 1.357(6) . ?
N2 C3 1.385(7) . ?
N2 C13 1.450(6) . ?
N3 C28 1.363(6) . ?
N3 C29 1.385(6) . ?
N3 C31 1.443(6) . ?
N4 C28 1.358(6) . ?
N4 C30 1.379(6) . ?
N4 C40 1.451(6) . ?
C2 C3 1.340(8) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C9 1.386(7) . ?
C4 C5 1.405(7) . ?
C5 C6 1.379(7) . ?
C5 C10 1.504(7) . ?
C6 C7 1.392(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.379(7) . ?
C7 C11 1.517(7) . ?
C8 C9 1.377(7) . ?
C8 H8 0.9500 . ?
C9 C12 1.511(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.392(7) . ?
C13 C14 1.397(7) . ?
C14 C15 1.388(7) . ?
C14 C19 1.498(8) . ?
C15 C16 1.385(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.374(9) . ?
C16 C20 1.506(8) . ?
C17 C18 1.402(8) . ?
C17 H17 0.9500 . ?
C18 C21 1.493(8) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C27 1.389(7) . ?
C22 C23 1.405(6) . ?
C23 C24 1.394(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.382(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.401(7) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C29 C30 1.348(7) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.392(7) . ?
C31 C32 1.395(7) . ?
C32 C33 1.383(7) . ?
C32 C37 1.503(7) . ?
C33 C34 1.387(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(7) . ?
C34 C38 1.506(6) . ?
C35 C36 1.396(7) . ?
C35 H35 0.9500 . ?
C36 C39 1.499(7) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.388(7) . ?
C40 C45 1.394(7) . ?
C41 C42 1.389(7) . ?
C41 C46 1.505(7) . ?
C42 C43 1.389(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.399(7) . ?
C43 C47 1.503(7) . ?
C44 C45 1.385(7) . ?
C44 H44 0.9500 . ?
C45 C48 1.509(7) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.398(6) . ?
C49 C54 1.402(6) . ?
C50 C51 1.389(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.376(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.401(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.396(6) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
Cl1 C55 1.743(7) . ?
Cl2 C55 1.750(8) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?

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 Cu1 Br1 165.42(4) . . ?
P1 Cu2 Br3 130.22(4) . . ?
P1 Cu2 Br2 133.17(4) . . ?
Br3 Cu2 Br2 96.57(3) . . ?
P2 Cu3 Br2 132.64(4) . . ?
P2 Cu3 Br3 129.62(4) . . ?
Br2 Cu3 Br3 95.40(2) . . ?
P2 Cu4 Br4 131.91(4) . . ?
P2 Cu4 Br4 127.21(4) . 3_667 ?
Br4 Cu4 Br4 100.82(3) . 3_667 ?
Cu3 Br2 Cu2 83.35(2) . . ?
Cu2 Br3 Cu3 82.11(2) . . ?
Cu4 Br4 Cu4 79.18(3) . 3_667 ?
C1 P1 C22 102.4(2) . . ?
C1 P1 Cu1 104.06(15) . . ?
C22 P1 Cu1 102.35(16) . . ?
C1 P1 Cu2 109.71(15) . . ?
C22 P1 Cu2 113.13(15) . . ?
Cu1 P1 Cu2 122.97(6) . . ?
C28 P2 C49 103.2(2) . . ?
C28 P2 Cu4 106.10(15) . . ?
C49 P2 Cu4 111.47(15) . . ?
C28 P2 Cu3 110.64(15) . . ?
C49 P2 Cu3 111.57(15) . . ?
Cu4 P2 Cu3 113.27(5) . . ?
C1 N1 C2 110.0(4) . . ?
C1 N1 C4 127.2(4) . . ?
C2 N1 C4 122.8(4) . . ?
C1 N2 C3 109.7(4) . . ?
C1 N2 C13 125.5(4) . . ?
C3 N2 C13 124.3(4) . . ?
C28 N3 C29 110.7(4) . . ?
C28 N3 C31 127.0(4) . . ?
C29 N3 C31 122.3(4) . . ?
C28 N4 C30 110.3(4) . . ?
C28 N4 C40 127.3(4) . . ?
C30 N4 C40 122.3(4) . . ?
N1 C1 N2 105.8(4) . . ?
N1 C1 P1 126.6(4) . . ?
N2 C1 P1 127.6(3) . . ?
C3 C2 N1 107.4(5) . . ?
C3 C2 H2 126.3 . . ?
N1 C2 H2 126.3 . . ?
C2 C3 N2 107.2(5) . . ?
C2 C3 H3 126.4 . . ?
N2 C3 H3 126.4 . . ?
C9 C4 C5 122.3(5) . . ?
C9 C4 N1 118.2(4) . . ?
C5 C4 N1 119.4(4) . . ?
C6 C5 C4 117.5(5) . . ?
C6 C5 C10 121.7(5) . . ?
C4 C5 C10 120.9(5) . . ?
C5 C6 C7 121.6(5) . . ?
C5 C6 H6 119.2 . . ?
C7 C6 H6 119.2 . . ?
C8 C7 C6 118.9(5) . . ?
C8 C7 C11 120.5(5) . . ?
C6 C7 C11 120.5(5) . . ?
C9 C8 C7 122.0(5) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C8 C9 C4 117.8(5) . . ?
C8 C9 C12 121.3(5) . . ?
C4 C9 C12 120.9(5) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 124.8(5) . . ?
C18 C13 N2 118.0(5) . . ?
C14 C13 N2 117.1(5) . . ?
C15 C14 C13 116.3(5) . . ?
C15 C14 C19 121.4(5) . . ?
C13 C14 C19 122.3(5) . . ?
C16 C15 C14 121.7(6) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C17 C16 C15 119.3(5) . . ?
C17 C16 C20 121.0(6) . . ?
C15 C16 C20 119.7(6) . . ?
C16 C17 C18 122.7(5) . . ?
C16 C17 H17 118.6 . . ?
C18 C17 H17 118.6 . . ?
C13 C18 C17 115.1(5) . . ?
C13 C18 C21 122.5(5) . . ?
C17 C18 C21 122.4(5) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C22 C23 119.3(4) . . ?
C27 C22 P1 120.4(3) . . ?
C23 C22 P1 119.8(4) . . ?
C24 C23 C22 119.8(5) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C25 C24 C23 120.7(5) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 C26 119.7(5) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C27 120.1(5) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C22 C27 C26 120.3(5) . . ?
C22 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
N4 C28 N3 104.9(4) . . ?
N4 C28 P2 129.9(3) . . ?
N3 C28 P2 124.8(3) . . ?
C30 C29 N3 106.4(4) . . ?
C30 C29 H29 126.8 . . ?
N3 C29 H29 126.8 . . ?
C29 C30 N4 107.6(4) . . ?
C29 C30 H30 126.2 . . ?
N4 C30 H30 126.2 . . ?
C36 C31 C32 123.1(4) . . ?
C36 C31 N3 118.0(4) . . ?
C32 C31 N3 118.7(4) . . ?
C33 C32 C31 117.3(5) . . ?
C33 C32 C37 121.9(5) . . ?
C31 C32 C37 120.8(4) . . ?
C32 C33 C34 122.0(5) . . ?
C32 C33 H33 119.0 . . ?
C34 C33 H33 119.0 . . ?
C35 C34 C33 118.6(4) . . ?
C35 C34 C38 120.0(5) . . ?
C33 C34 C38 121.4(5) . . ?
C34 C35 C36 122.1(4) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C31 C36 C35 116.7(4) . . ?
C31 C36 C39 122.7(4) . . ?
C35 C36 C39 120.6(4) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C45 123.8(4) . . ?
C41 C40 N4 118.1(4) . . ?
C45 C40 N4 118.0(4) . . ?
C40 C41 C42 116.5(4) . . ?
C40 C41 C46 123.3(4) . . ?
C42 C41 C46 120.1(4) . . ?
C43 C42 C41 122.4(5) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C42 C43 C44 118.5(4) . . ?
C42 C43 C47 120.9(5) . . ?
C44 C43 C47 120.6(5) . . ?
C45 C44 C43 121.6(5) . . ?
C45 C44 H44 119.2 . . ?
C43 C44 H44 119.2 . . ?
C44 C45 C40 117.2(4) . . ?
C44 C45 C48 120.4(5) . . ?
C40 C45 C48 122.4(4) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 118.3(4) . . ?
C50 C49 P2 121.6(3) . . ?
C54 C49 P2 119.9(3) . . ?
C51 C50 C49 120.6(4) . . ?
C51 C50 H50 119.7 . . ?
C49 C50 H50 119.7 . . ?
C52 C51 C50 120.5(5) . . ?
C52 C51 H51 119.7 . . ?
C50 C51 H51 119.7 . . ?
C51 C52 C53 120.5(4) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C54 C53 C52 118.7(5) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
C53 C54 C49 121.4(4) . . ?
C53 C54 H54 119.3 . . ?
C49 C54 H54 119.3 . . ?
Cl1 C55 Cl2 112.7(4) . . ?
Cl1 C55 H55A 109.1 . . ?
Cl2 C55 H55A 109.1 . . ?
Cl1 C55 H55B 109.1 . . ?
Cl2 C55 H55B 109.1 . . ?
H55A C55 H55B 107.8 . . ?

_refine_diff_density_max         2.285
_refine_diff_density_min         -1.425
_refine_diff_density_rms         0.227

_shelxl_version_number           2014/6

_database_code_depnum_ccdc_archive 'CCDC 1030198'
