# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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#
data_x

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H72 B Cl F2 N2 P2 Pt'
_chemical_formula_weight         982.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

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

_cell_length_a                   10.0654(11)
_cell_length_b                   36.749(4)
_cell_length_c                   13.9440(15)
_cell_angle_alpha                90.000(2)
_cell_angle_beta                 105.757(2)
_cell_angle_gamma                90.000(2)
_cell_volume                     4964.0(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2016
_exptl_absorpt_coefficient_mu    2.982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.308
_exptl_absorpt_correction_T_max  0.679
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            32550
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         27.61
_reflns_number_total             11457
_reflns_number_gt                6050
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0500P)²+7.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11457
_refine_ls_number_parameters     708
_refine_ls_number_restraints     2052
_refine_ls_R_factor_all          0.1274
_refine_ls_R_factor_gt           0.0635
_refine_ls_wR_factor_ref         0.1551
_refine_ls_wR_factor_gt          0.1313
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      0.974
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.53580(3) 0.341215(8) 0.29196(2) 0.09394(14) Uani 1 1 d . A .
P1 P 0.6658(3) 0.37906(7) 0.41501(18) 0.1192(7) Uani 1 1 d D . .
P2 P 0.4221(2) 0.30273(6) 0.16697(18) 0.1101(7) Uani 1 1 d D . .
Cl1 Cl 0.4655(3) 0.30371(8) 0.40643(19) 0.1597(11) Uani 1 1 d . . .
F1 F 1.0084(4) 0.53032(11) -0.3236(3) 0.1024(12) Uani 1 1 d . . .
F2 F 0.7958(4) 0.50964(13) -0.4052(3) 0.1163(14) Uani 1 1 d . . .
B1 B 0.8960(8) 0.5106(2) -0.3144(5) 0.078(2) Uani 1 1 d . . .
N1 N 0.8367(5) 0.52783(15) -0.2340(4) 0.0718(13) Uani 1 1 d . . .
N2 N 0.9388(5) 0.47133(15) -0.2795(3) 0.0731(13) Uani 1 1 d . . .
C1 C 1.0516(8) 0.4568(2) -0.4141(5) 0.109(3) Uani 1 1 d . . .
H1A H 1.1061 0.4793 -0.4018 0.164 Uiso 1 1 calc R . .
H1B H 0.9708 0.4603 -0.4712 0.164 Uiso 1 1 calc R . .
H1C H 1.1084 0.4370 -0.4284 0.164 Uiso 1 1 calc R . .
C2 C 1.0051(7) 0.4474(2) -0.3238(5) 0.0872(19) Uani 1 1 d . . .
C3 C 1.0174(8) 0.4146(2) -0.2726(6) 0.101(2) Uani 1 1 d . . .
H3A H 1.0616 0.3934 -0.2878 0.121 Uiso 1 1 calc R . .
C4 C 0.9550(7) 0.4178(2) -0.1959(5) 0.0890(19) Uani 1 1 d . . .
C5 C 0.9491(10) 0.3878(2) -0.1246(7) 0.127(3) Uani 1 1 d . . .
H5A H 0.9620 0.3643 -0.1543 0.191 Uiso 1 1 calc R . .
H5B H 0.8591 0.3881 -0.1102 0.191 Uiso 1 1 calc R . .
H5C H 1.0223 0.3913 -0.0626 0.191 Uiso 1 1 calc R . .
C6 C 0.9051(6) 0.45378(17) -0.2000(4) 0.0700(15) Uani 1 1 d . . .
C7 C 0.8360(5) 0.47232(17) -0.1405(4) 0.0680(15) Uani 1 1 d . . .
C8 C 0.8049(5) 0.50935(18) -0.1545(4) 0.0688(15) Uani 1 1 d . . .
C9 C 0.7457(6) 0.5347(2) -0.1025(5) 0.0852(18) Uani 1 1 d . . .
C10 C 0.6939(9) 0.5288(2) -0.0109(6) 0.110(2) Uani 1 1 d . . .
H10A H 0.6378 0.5496 -0.0021 0.165 Uiso 1 1 calc R . .
H10B H 0.7728 0.5262 0.0480 0.165 Uiso 1 1 calc R . .
H10C H 0.6377 0.5066 -0.0197 0.165 Uiso 1 1 calc R . .
C11 C 0.7416(7) 0.5669(2) -0.1519(6) 0.098(2) Uani 1 1 d . . .
H11A H 0.7065 0.5891 -0.1340 0.117 Uiso 1 1 calc R . .
C12 C 0.7962(7) 0.5623(2) -0.2319(5) 0.0857(19) Uani 1 1 d . . .
C13 C 0.8098(8) 0.5899(2) -0.3070(6) 0.119(3) Uani 1 1 d . . .
H13A H 0.7984 0.5779 -0.3716 0.178 Uiso 1 1 calc R . .
H13B H 0.9013 0.6011 -0.2857 0.178 Uiso 1 1 calc R . .
H13C H 0.7387 0.6086 -0.3131 0.178 Uiso 1 1 calc R . .
C14 C 0.7876(6) 0.45156(16) -0.0642(4) 0.0666(14) Uani 1 1 d . . .
C15 C 0.8622(7) 0.44888(19) 0.0338(5) 0.0859(19) Uani 1 1 d . . .
H15A H 0.9488 0.4609 0.0553 0.103 Uiso 1 1 calc R . .
C16 C 0.8153(7) 0.42958(19) 0.1005(5) 0.090(2) Uani 1 1 d . . .
H16A H 0.8687 0.4290 0.1681 0.108 Uiso 1 1 calc R . .
C17 C 0.6910(7) 0.41060(17) 0.0730(5) 0.0773(16) Uani 1 1 d . . .
C18 C 0.6619(6) 0.43433(18) -0.0926(5) 0.0811(18) Uani 1 1 d . . .
H18A H 0.6064 0.4365 -0.1593 0.097 Uiso 1 1 calc R . .
C19 C 0.6155(7) 0.41394(19) -0.0253(5) 0.090(2) Uani 1 1 d . . .
H19A H 0.5291 0.4019 -0.0472 0.108 Uiso 1 1 calc R . .
C20 C 0.6420(7) 0.3896(2) 0.1417(5) 0.092(2) Uani 1 1 d . A .
C21 C 0.5997(7) 0.37160(18) 0.1974(5) 0.0842(18) Uani 1 1 d . . .
C22 C 0.8515(11) 0.3730(3) 0.4260(12) 0.138(3) Uani 0.687(5) 1 d PDU A 1
H22A H 0.8708 0.3807 0.3631 0.166 Uiso 0.687(5) 1 calc PR A 1
H22B H 0.9059 0.3887 0.4802 0.166 Uiso 0.687(5) 1 calc PR A 1
C23 C 0.8962(14) 0.3336(4) 0.4476(15) 0.147(4) Uani 0.687(5) 1 d PDU A 1
H23A H 0.8405 0.3172 0.3957 0.177 Uiso 0.687(5) 1 calc PR A 1
H23B H 0.8858 0.3259 0.5133 0.177 Uiso 0.687(5) 1 calc PR A 1
C24 C 1.0484(14) 0.3328(4) 0.4473(14) 0.154(4) Uani 0.687(5) 1 d PDU A 1
H24A H 1.0614 0.3413 0.3831 0.184 Uiso 0.687(5) 1 calc PR A 1
H24B H 1.1072 0.3473 0.5025 0.184 Uiso 0.687(5) 1 calc PR A 1
C25 C 1.0750(18) 0.2925(4) 0.4623(15) 0.178(6) Uani 0.687(5) 1 d PDU A 1
H25A H 1.1571 0.2859 0.4412 0.267 Uiso 0.687(5) 1 calc PR A 1
H25B H 0.9951 0.2789 0.4226 0.267 Uiso 0.687(5) 1 calc PR A 1
H25C H 1.0902 0.2865 0.5330 0.267 Uiso 0.687(5) 1 calc PR A 1
C26 C 0.6904(12) 0.4275(3) 0.3971(11) 0.125(3) Uani 0.687(5) 1 d PDU A 1
H26A H 0.7393 0.4386 0.4617 0.150 Uiso 0.687(5) 1 calc PR A 1
H26B H 0.7488 0.4307 0.3509 0.150 Uiso 0.687(5) 1 calc PR A 1
C27 C 0.5540(11) 0.4471(3) 0.3552(11) 0.128(3) Uani 0.687(5) 1 d PDU A 1
H27A H 0.4999 0.4462 0.4048 0.154 Uiso 0.687(5) 1 calc PR A 1
H27B H 0.5006 0.4343 0.2946 0.154 Uiso 0.687(5) 1 calc PR A 1
C28 C 0.5723(17) 0.4871(3) 0.3289(10) 0.119(3) Uani 0.687(5) 1 d PDU A 1
H28A H 0.4813 0.4993 0.3149 0.143 Uiso 0.687(5) 1 calc PR A 1
H28B H 0.6340 0.4991 0.3879 0.143 Uiso 0.687(5) 1 calc PR A 1
C29 C 0.631(2) 0.4930(5) 0.2403(12) 0.142(5) Uani 0.687(5) 1 d PDU A 1
H29A H 0.6573 0.5186 0.2378 0.213 Uiso 0.687(5) 1 calc PR A 1
H29B H 0.5611 0.4867 0.1786 0.213 Uiso 0.687(5) 1 calc PR A 1
H29C H 0.7125 0.4776 0.2474 0.213 Uiso 0.687(5) 1 calc PR A 1
C30 C 0.6605(12) 0.3772(4) 0.5452(8) 0.131(3) Uani 0.687(5) 1 d PDU A 1
H30A H 0.6840 0.3524 0.5721 0.157 Uiso 0.687(5) 1 calc PR A 1
H30B H 0.7285 0.3944 0.5859 0.157 Uiso 0.687(5) 1 calc PR A 1
C31 C 0.5148(12) 0.3873(4) 0.5499(10) 0.128(3) Uani 0.687(5) 1 d PDU A 1
H31A H 0.4460 0.3737 0.4980 0.154 Uiso 0.687(5) 1 calc PR A 1
H31B H 0.4991 0.4136 0.5363 0.154 Uiso 0.687(5) 1 calc PR A 1
C32 C 0.4956(14) 0.3784(5) 0.6525(10) 0.151(4) Uani 0.687(5) 1 d PDU A 1
H32A H 0.4974 0.3516 0.6607 0.181 Uiso 0.687(5) 1 calc PR A 1
H32B H 0.5751 0.3884 0.7040 0.181 Uiso 0.687(5) 1 calc PR A 1
C33 C 0.3641(16) 0.3927(5) 0.6716(14) 0.158(5) Uani 0.687(5) 1 d PDU A 1
H33A H 0.3729 0.3923 0.7433 0.237 Uiso 0.687(5) 1 calc PR A 1
H33B H 0.2862 0.3774 0.6369 0.237 Uiso 0.687(5) 1 calc PR A 1
H33C H 0.3481 0.4177 0.6469 0.237 Uiso 0.687(5) 1 calc PR A 1
C34 C 0.5016(18) 0.2576(4) 0.173(2) 0.171(4) Uani 0.687(5) 1 d PDU A 1
H34A H 0.4690 0.2426 0.2210 0.206 Uiso 0.687(5) 1 calc PR A 1
H34B H 0.4679 0.2459 0.1067 0.206 Uiso 0.687(5) 1 calc PR A 1
C35 C 0.6586(17) 0.2567(5) 0.2028(15) 0.177(4) Uani 0.687(5) 1 d PDU A 1
H35A H 0.6968 0.2737 0.2585 0.213 Uiso 0.687(5) 1 calc PR A 1
H35B H 0.6946 0.2634 0.1458 0.213 Uiso 0.687(5) 1 calc PR A 1
C36 C 0.696(2) 0.2173(5) 0.235(2) 0.200(5) Uani 0.687(5) 1 d PDU A 1
H36A H 0.6890 0.2128 0.3032 0.240 Uiso 0.687(5) 1 calc PR A 1
H36B H 0.6371 0.1999 0.1884 0.240 Uiso 0.687(5) 1 calc PR A 1
C37 C 0.845(2) 0.2151(7) 0.230(2) 0.246(8) Uani 0.687(5) 1 d PDU A 1
H37A H 0.8826 0.1910 0.2532 0.369 Uiso 0.687(5) 1 calc PR A 1
H37B H 0.8999 0.2338 0.2733 0.369 Uiso 0.687(5) 1 calc PR A 1
H37C H 0.8488 0.2189 0.1616 0.369 Uiso 0.687(5) 1 calc PR A 1
C38 C 0.408(4) 0.3190(7) 0.0398(9) 0.155(3) Uani 0.687(5) 1 d PDU A 1
H38A H 0.3827 0.3450 0.0374 0.186 Uiso 0.687(5) 1 calc PR A 1
H38B H 0.5018 0.3177 0.0297 0.186 Uiso 0.687(5) 1 calc PR A 1
C39 C 0.3099(18) 0.3006(5) -0.0493(13) 0.165(4) Uani 0.687(5) 1 d PDU A 1
H39A H 0.2148 0.3005 -0.0419 0.198 Uiso 0.687(5) 1 calc PR A 1
H39B H 0.3388 0.2752 -0.0558 0.198 Uiso 0.687(5) 1 calc PR A 1
C40 C 0.316(2) 0.3230(6) -0.1406(12) 0.173(4) Uani 0.687(5) 1 d PDU A 1
H40A H 0.2964 0.3490 -0.1321 0.207 Uiso 0.687(5) 1 calc PR A 1
H40B H 0.4078 0.3208 -0.1538 0.207 Uiso 0.687(5) 1 calc PR A 1
C41 C 0.2038(19) 0.3056(5) -0.2236(14) 0.199(6) Uani 0.687(5) 1 d PDU A 1
H41A H 0.2377 0.3023 -0.2826 0.298 Uiso 0.687(5) 1 calc PR A 1
H41B H 0.1224 0.3214 -0.2403 0.298 Uiso 0.687(5) 1 calc PR A 1
H41C H 0.1789 0.2819 -0.2013 0.298 Uiso 0.687(5) 1 calc PR A 1
C42 C 0.2441(15) 0.2920(7) 0.165(3) 0.155(3) Uani 0.687(5) 1 d PDU A 1
H42A H 0.2041 0.2757 0.1085 0.186 Uiso 0.687(5) 1 calc PR A 1
H42B H 0.2444 0.2788 0.2273 0.186 Uiso 0.687(5) 1 calc PR A 1
C43 C 0.1532(18) 0.3255(6) 0.1569(16) 0.163(4) Uani 0.687(5) 1 d PDU A 1
H43A H 0.1558 0.3387 0.0956 0.195 Uiso 0.687(5) 1 calc PR A 1
H43B H 0.1949 0.3416 0.2140 0.195 Uiso 0.687(5) 1 calc PR A 1
C44 C 0.0019(18) 0.3195(8) 0.1542(14) 0.187(5) Uani 0.687(5) 1 d PDU A 1
H44A H -0.0027 0.3014 0.2057 0.224 Uiso 0.687(5) 1 calc PR A 1
H44B H -0.0364 0.3426 0.1714 0.224 Uiso 0.687(5) 1 calc PR A 1
C45 C -0.087(2) 0.3064(7) 0.0546(14) 0.213(7) Uani 0.687(5) 1 d PDU A 1
H45A H -0.1848 0.3079 0.0540 0.319 Uiso 0.687(5) 1 calc PR A 1
H45B H -0.0640 0.2812 0.0438 0.319 Uiso 0.687(5) 1 calc PR A 1
H45C H -0.0712 0.3218 0.0014 0.319 Uiso 0.687(5) 1 calc PR A 1
C22B C 0.805(2) 0.3486(8) 0.484(2) 0.146(4) Uani 0.313(5) 1 d PDU A 2
H22C H 0.8468 0.3581 0.5514 0.175 Uiso 0.313(5) 1 calc PR A 2
H22D H 0.7677 0.3240 0.4895 0.175 Uiso 0.313(5) 1 calc PR A 2
C23B C 0.913(3) 0.3467(11) 0.426(3) 0.147(5) Uani 0.313(5) 1 d PDU A 2
H23C H 0.9480 0.3709 0.4134 0.176 Uiso 0.313(5) 1 calc PR A 2
H23D H 0.8811 0.3329 0.3625 0.176 Uiso 0.313(5) 1 calc PR A 2
C24B C 1.014(3) 0.3254(11) 0.507(3) 0.162(5) Uani 0.313(5) 1 d PDU A 2
H24C H 1.0387 0.3413 0.5668 0.194 Uiso 0.313(5) 1 calc PR A 2
H24D H 0.9624 0.3046 0.5244 0.194 Uiso 0.313(5) 1 calc PR A 2
C25B C 1.149(3) 0.3100(11) 0.496(3) 0.167(8) Uani 0.313(5) 1 d PDU A 2
H25D H 1.1714 0.2875 0.5346 0.251 Uiso 0.313(5) 1 calc PR A 2
H25E H 1.2233 0.3278 0.5204 0.251 Uiso 0.313(5) 1 calc PR A 2
H25F H 1.1399 0.3049 0.4255 0.251 Uiso 0.313(5) 1 calc PR A 2
C26B C 0.598(3) 0.4246(4) 0.369(2) 0.133(4) Uani 0.313(5) 1 d PDU A 2
H26C H 0.5865 0.4242 0.2967 0.160 Uiso 0.313(5) 1 calc PR A 2
H26D H 0.5032 0.4255 0.3779 0.160 Uiso 0.313(5) 1 calc PR A 2
C27B C 0.661(3) 0.4614(6) 0.405(2) 0.138(4) Uani 0.313(5) 1 d PDU A 2
H27C H 0.7469 0.4636 0.3832 0.165 Uiso 0.313(5) 1 calc PR A 2
H27D H 0.6895 0.4609 0.4786 0.165 Uiso 0.313(5) 1 calc PR A 2
C28B C 0.577(4) 0.4959(8) 0.372(2) 0.133(5) Uani 0.313(5) 1 d PDU A 2
H28C H 0.4781 0.4919 0.3672 0.159 Uiso 0.313(5) 1 calc PR A 2
H28D H 0.6120 0.5163 0.4188 0.159 Uiso 0.313(5) 1 calc PR A 2
C29B C 0.602(5) 0.5025(12) 0.271(3) 0.147(9) Uani 0.313(5) 1 d PDU A 2
H29D H 0.5127 0.5060 0.2213 0.220 Uiso 0.313(5) 1 calc PR A 2
H29E H 0.6492 0.4815 0.2525 0.220 Uiso 0.313(5) 1 calc PR A 2
H29F H 0.6584 0.5243 0.2740 0.220 Uiso 0.313(5) 1 calc PR A 2
C30B C 0.575(4) 0.3720(9) 0.5126(19) 0.138(4) Uani 0.313(5) 1 d PDU A 2
H30C H 0.4755 0.3698 0.4787 0.166 Uiso 0.313(5) 1 calc PR A 2
H30D H 0.6055 0.3482 0.5443 0.166 Uiso 0.313(5) 1 calc PR A 2
C31B C 0.590(4) 0.3998(8) 0.596(2) 0.140(4) Uani 0.313(5) 1 d PDU A 2
H31C H 0.5275 0.4205 0.5712 0.168 Uiso 0.313(5) 1 calc PR A 2
H31D H 0.6861 0.4092 0.6150 0.168 Uiso 0.313(5) 1 calc PR A 2
C32B C 0.557(3) 0.3835(10) 0.687(2) 0.150(5) Uani 0.313(5) 1 d PDU A 2
H32C H 0.5414 0.3569 0.6832 0.180 Uiso 0.313(5) 1 calc PR A 2
H32D H 0.6234 0.3903 0.7513 0.180 Uiso 0.313(5) 1 calc PR A 2
C33B C 0.426(3) 0.4061(10) 0.661(3) 0.151(8) Uani 0.313(5) 1 d PDU A 2
H33D H 0.3737 0.4016 0.7095 0.227 Uiso 0.313(5) 1 calc PR A 2
H33E H 0.3694 0.3992 0.5941 0.227 Uiso 0.313(5) 1 calc PR A 2
H33F H 0.4496 0.4319 0.6612 0.227 Uiso 0.313(5) 1 calc PR A 2
C34B C 0.507(4) 0.2582(7) 0.195(4) 0.172(4) Uani 0.313(5) 1 d PDU A 2
H34C H 0.5378 0.2543 0.2676 0.206 Uiso 0.313(5) 1 calc PR A 2
H34D H 0.4422 0.2386 0.1645 0.206 Uiso 0.313(5) 1 calc PR A 2
C35B C 0.632(4) 0.2574(12) 0.152(3) 0.175(5) Uani 0.313(5) 1 d PDU A 2
H35C H 0.6813 0.2809 0.1676 0.210 Uiso 0.313(5) 1 calc PR A 2
H35D H 0.5980 0.2555 0.0786 0.210 Uiso 0.313(5) 1 calc PR A 2
C36B C 0.734(5) 0.2267(12) 0.190(3) 0.178(6) Uani 0.313(5) 1 d PDU A 2
H36C H 0.8179 0.2309 0.1669 0.214 Uiso 0.313(5) 1 calc PR A 2
H36D H 0.6926 0.2034 0.1611 0.214 Uiso 0.313(5) 1 calc PR A 2
C37B C 0.777(5) 0.2235(12) 0.304(3) 0.193(9) Uani 0.313(5) 1 d PDU A 2
H37D H 0.8735 0.2310 0.3299 0.290 Uiso 0.313(5) 1 calc PR A 2
H37E H 0.7663 0.1983 0.3229 0.290 Uiso 0.313(5) 1 calc PR A 2
H37F H 0.7180 0.2394 0.3313 0.290 Uiso 0.313(5) 1 calc PR A 2
C38B C 0.413(10) 0.3194(13) 0.0410(17) 0.163(4) Uani 0.313(5) 1 d PDU A 2
H38C H 0.3406 0.3383 0.0219 0.195 Uiso 0.313(5) 1 calc PR A 2
H38D H 0.5023 0.3306 0.0407 0.195 Uiso 0.313(5) 1 calc PR A 2
C39B C 0.380(4) 0.2886(11) -0.035(3) 0.170(4) Uani 0.313(5) 1 d PDU A 2
H39C H 0.2969 0.2757 -0.0279 0.204 Uiso 0.313(5) 1 calc PR A 2
H39D H 0.4577 0.2710 -0.0183 0.204 Uiso 0.313(5) 1 calc PR A 2
C40B C 0.356(4) 0.3005(11) -0.143(3) 0.174(5) Uani 0.313(5) 1 d PDU A 2
H40C H 0.4415 0.3113 -0.1529 0.208 Uiso 0.313(5) 1 calc PR A 2
H40D H 0.3299 0.2793 -0.1878 0.208 Uiso 0.313(5) 1 calc PR A 2
C41B C 0.241(4) 0.3285(11) -0.165(4) 0.179(8) Uani 0.313(5) 1 d PDU A 2
H41D H 0.2801 0.3530 -0.1517 0.268 Uiso 0.313(5) 1 calc PR A 2
H41E H 0.1793 0.3240 -0.1222 0.268 Uiso 0.313(5) 1 calc PR A 2
H41F H 0.1877 0.3267 -0.2350 0.268 Uiso 0.313(5) 1 calc PR A 2
C42B C 0.249(3) 0.2902(18) 0.174(7) 0.162(4) Uani 0.313(5) 1 d PDU A 2
H42C H 0.2271 0.2658 0.1436 0.195 Uiso 0.313(5) 1 calc PR A 2
H42D H 0.2510 0.2882 0.2449 0.195 Uiso 0.313(5) 1 calc PR A 2
C43B C 0.133(4) 0.3160(12) 0.124(4) 0.163(5) Uani 0.313(5) 1 d PDU A 2
H43C H 0.1335 0.3206 0.0537 0.195 Uiso 0.313(5) 1 calc PR A 2
H43D H 0.1425 0.3395 0.1595 0.195 Uiso 0.313(5) 1 calc PR A 2
C44B C 0.002(4) 0.2964(9) 0.128(4) 0.167(5) Uani 0.313(5) 1 d PDU A 2
H44C H 0.0105 0.2844 0.1928 0.200 Uiso 0.313(5) 1 calc PR A 2
H44D H -0.0302 0.2787 0.0730 0.200 Uiso 0.313(5) 1 calc PR A 2
C45B C -0.090(4) 0.3303(10) 0.114(3) 0.150(8) Uani 0.313(5) 1 d PDU A 2
H45D H -0.1505 0.3288 0.1581 0.225 Uiso 0.313(5) 1 calc PR A 2
H45E H -0.1456 0.3317 0.0446 0.225 Uiso 0.313(5) 1 calc PR A 2
H45F H -0.0316 0.3520 0.1304 0.225 Uiso 0.313(5) 1 calc PR A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C21 1.964(7) . ?
Pt1 P2 2.294(2) . ?
Pt1 P1 2.318(3) . ?
Pt1 Cl1 2.358(2) . ?
P1 C26 1.825(10) . ?
P1 C30 1.832(10) . ?
P1 C22B 1.846(14) . ?
P1 C22 1.847(10) . ?
P1 C30B 1.851(14) . ?
P1 C26B 1.855(14) . ?
P2 C42B 1.827(14) . ?
P2 C42 1.828(11) . ?
P2 C34 1.835(11) . ?
P2 C38B 1.839(14) . ?
P2 C34B 1.840(14) . ?
P2 C38 1.841(11) . ?
F1 B1 1.378(8) . ?
F2 B1 1.388(8) . ?
B1 N1 1.543(9) . ?
B1 N2 1.545(9) . ?
N1 C12 1.335(8) . ?
N1 C8 1.408(7) . ?
N2 C2 1.350(8) . ?
N2 C6 1.402(7) . ?
C1 C2 1.498(9) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.391(10) . ?
C3 C4 1.383(10) . ?
C3 H3A 0.9500 . ?
C4 C6 1.411(9) . ?
C4 C5 1.496(10) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.396(8) . ?
C7 C8 1.398(8) . ?
C7 C14 1.494(8) . ?
C8 C9 1.410(9) . ?
C9 C11 1.362(9) . ?
C9 C10 1.520(9) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.380(10) . ?
C11 H11A 0.9500 . ?
C12 C13 1.489(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C18 1.373(8) . ?
C14 C15 1.373(8) . ?
C15 C16 1.352(8) . ?
C15 H15A 0.9500 . ?
C16 C17 1.392(8) . ?
C16 H16A 0.9500 . ?
C17 C19 1.381(8) . ?
C17 C20 1.419(9) . ?
C18 C19 1.377(8) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
C20 C21 1.184(8) . ?
C22 C23 1.523(8) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.534(8) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.509(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.519(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.536(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.524(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.531(7) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.531(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.513(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.522(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.530(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.517(8) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.520(8) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.530(8) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.522(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.517(8) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.529(8) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.513(8) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C22B C23B 1.519(8) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C23B C24B 1.526(8) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C24B C25B 1.518(8) . ?
C24B H24C 0.9900 . ?
C24B H24D 0.9900 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26B C27B 1.519(8) . ?
C26B H26C 0.9900 . ?
C26B H26D 0.9900 . ?
C27B C28B 1.524(8) . ?
C27B H27C 0.9900 . ?
C27B H27D 0.9900 . ?
C28B C29B 1.519(8) . ?
C28B H28C 0.9900 . ?
C28B H28D 0.9900 . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C30B C31B 1.522(8) . ?
C30B H30C 0.9900 . ?
C30B H30D 0.9900 . ?
C31B C32B 1.525(8) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C32B C33B 1.521(8) . ?
C32B H32C 0.9900 . ?
C32B H32D 0.9900 . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34B C35B 1.524(8) . ?
C34B H34C 0.9900 . ?
C34B H34D 0.9900 . ?
C35B C36B 1.526(8) . ?
C35B H35C 0.9900 . ?
C35B H35D 0.9900 . ?
C36B C37B 1.530(8) . ?
C36B H36C 0.9900 . ?
C36B H36D 0.9900 . ?
C37B H37D 0.9800 . ?
C37B H37E 0.9800 . ?
C37B H37F 0.9800 . ?
C38B C39B 1.522(8) . ?
C38B H38C 0.9900 . ?
C38B H38D 0.9900 . ?
C39B C40B 1.525(8) . ?
C39B H39C 0.9900 . ?
C39B H39D 0.9900 . ?
C40B C41B 1.522(8) . ?
C40B H40C 0.9900 . ?
C40B H40D 0.9900 . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C42B C43B 1.518(8) . ?
C42B H42C 0.9900 . ?
C42B H42D 0.9900 . ?
C43B C44B 1.524(8) . ?
C43B H43C 0.9900 . ?
C43B H43D 0.9900 . ?
C44B C45B 1.526(8) . ?
C44B H44C 0.9900 . ?
C44B H44D 0.9900 . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?

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
C21 Pt1 P2 91.6(2) . . ?
C21 Pt1 P1 86.2(2) . . ?
P2 Pt1 P1 175.70(8) . . ?
C21 Pt1 Cl1 178.2(2) . . ?
P2 Pt1 Cl1 88.54(9) . . ?
P1 Pt1 Cl1 93.58(10) . . ?
C26 P1 C30 102.4(7) . . ?
C26 P1 C22B 123.5(11) . . ?
C30 P1 C22B 71.7(10) . . ?
C26 P1 C22 87.6(6) . . ?
C30 P1 C22 102.4(6) . . ?
C22B P1 C22 43.5(10) . . ?
C26 P1 C30B 110.4(11) . . ?
C30 P1 C30B 27.5(10) . . ?
C22B P1 C30B 89.5(16) . . ?
C22 P1 C30B 127.7(13) . . ?
C26 P1 C26B 28.7(9) . . ?
C30 P1 C26B 105.4(12) . . ?
C22B P1 C26B 152.1(14) . . ?
C22 P1 C26B 114.1(11) . . ?
C30B P1 C26B 99.7(17) . . ?
C26 P1 Pt1 123.7(5) . . ?
C30 P1 Pt1 123.3(5) . . ?
C22B P1 Pt1 102.4(11) . . ?
C22 P1 Pt1 110.1(5) . . ?
C30B P1 Pt1 99.7(9) . . ?
C26B P1 Pt1 101.9(9) . . ?
C42B P2 C42 4(3) . . ?
C42B P2 C34 100(2) . . ?
C42 P2 C34 102.7(10) . . ?
C42B P2 C38B 109(4) . . ?
C42 P2 C38B 105(3) . . ?
C34 P2 C38B 105(2) . . ?
C42B P2 C34B 99(2) . . ?
C42 P2 C34B 102.2(16) . . ?
C34 P2 C34B 9(2) . . ?
C38B P2 C34B 113(3) . . ?
C42B P2 C38 108(3) . . ?
C42 P2 C38 103.9(17) . . ?
C34 P2 C38 104.8(15) . . ?
C38B P2 C38 2(4) . . ?
C34B P2 C38 114(2) . . ?
C42B P2 Pt1 114(3) . . ?
C42 P2 Pt1 115.3(15) . . ?
C34 P2 Pt1 113.7(8) . . ?
C38B P2 Pt1 113.9(15) . . ?
C34B P2 Pt1 106.3(18) . . ?
C38 P2 Pt1 115.1(6) . . ?
F1 B1 F2 109.9(6) . . ?
F1 B1 N1 109.9(6) . . ?
F2 B1 N1 110.1(6) . . ?
F1 B1 N2 110.8(6) . . ?
F2 B1 N2 109.6(6) . . ?
N1 B1 N2 106.5(5) . . ?
C12 N1 C8 107.8(5) . . ?
C12 N1 B1 125.9(6) . . ?
C8 N1 B1 126.1(6) . . ?
C2 N2 C6 108.6(5) . . ?
C2 N2 B1 126.4(5) . . ?
C6 N2 B1 124.9(5) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N2 C2 C3 108.4(6) . . ?
N2 C2 C1 122.8(7) . . ?
C3 C2 C1 128.8(7) . . ?
C4 C3 C2 109.1(7) . . ?
C4 C3 H3A 125.5 . . ?
C2 C3 H3A 125.5 . . ?
C3 C4 C6 106.2(6) . . ?
C3 C4 C5 124.0(7) . . ?
C6 C4 C5 129.7(7) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 N2 120.8(6) . . ?
C7 C6 C4 131.6(6) . . ?
N2 C6 C4 107.7(5) . . ?
C6 C7 C8 121.4(5) . . ?
C6 C7 C14 119.0(6) . . ?
C8 C7 C14 119.5(5) . . ?
C7 C8 N1 119.3(5) . . ?
C7 C8 C9 133.0(6) . . ?
N1 C8 C9 107.7(6) . . ?
C11 C9 C8 105.7(6) . . ?
C11 C9 C10 125.5(7) . . ?
C8 C9 C10 128.8(7) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 C12 109.9(7) . . ?
C9 C11 H11A 125.0 . . ?
C12 C11 H11A 125.0 . . ?
N1 C12 C11 108.8(6) . . ?
N1 C12 C13 122.9(7) . . ?
C11 C12 C13 128.3(8) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C18 C14 C15 117.7(5) . . ?
C18 C14 C7 119.0(5) . . ?
C15 C14 C7 123.3(5) . . ?
C16 C15 C14 121.6(6) . . ?
C16 C15 H15A 119.2 . . ?
C14 C15 H15A 119.2 . . ?
C15 C16 C17 121.9(6) . . ?
C15 C16 H16A 119.0 . . ?
C17 C16 H16A 119.0 . . ?
C19 C17 C16 116.1(6) . . ?
C19 C17 C20 121.3(6) . . ?
C16 C17 C20 122.5(6) . . ?
C14 C18 C19 120.8(6) . . ?
C14 C18 H18A 119.6 . . ?
C19 C18 H18A 119.6 . . ?
C18 C19 C17 121.8(6) . . ?
C18 C19 H19A 119.1 . . ?
C17 C19 H19A 119.1 . . ?
C21 C20 C17 178.6(8) . . ?
C20 C21 Pt1 178.1(6) . . ?
C23 C22 P1 111.7(8) . . ?
C23 C22 H22A 109.3 . . ?
P1 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
P1 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C22 C23 C24 105.0(11) . . ?
C22 C23 H23A 110.7 . . ?
C24 C23 H23A 110.7 . . ?
C22 C23 H23B 110.7 . . ?
C24 C23 H23B 110.7 . . ?
H23A C23 H23B 108.8 . . ?
C25 C24 C23 99.0(12) . . ?
C25 C24 H24A 112.0 . . ?
C23 C24 H24A 112.0 . . ?
C25 C24 H24B 112.0 . . ?
C23 C24 H24B 112.0 . . ?
H24A C24 H24B 109.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 P1 111.9(8) . . ?
C27 C26 H26A 109.2 . . ?
P1 C26 H26A 109.2 . . ?
C27 C26 H26B 109.2 . . ?
P1 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C26 C27 C28 113.0(11) . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27A 109.0 . . ?
C26 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C29 C28 C27 115.4(12) . . ?
C29 C28 H28A 108.4 . . ?
C27 C28 H28A 108.4 . . ?
C29 C28 H28B 108.4 . . ?
C27 C28 H28B 108.4 . . ?
H28A C28 H28B 107.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 P1 108.6(8) . . ?
C31 C30 H30A 110.0 . . ?
P1 C30 H30A 110.0 . . ?
C31 C30 H30B 110.0 . . ?
P1 C30 H30B 110.0 . . ?
H30A C30 H30B 108.4 . . ?
C30 C31 C32 110.7(10) . . ?
C30 C31 H31A 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C33 C32 C31 115.4(12) . . ?
C33 C32 H32A 108.4 . . ?
C31 C32 H32A 108.4 . . ?
C33 C32 H32B 108.4 . . ?
C31 C32 H32B 108.4 . . ?
H32A C32 H32B 107.5 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 P2 116.1(13) . . ?
C35 C34 H34A 108.3 . . ?
P2 C34 H34A 108.3 . . ?
C35 C34 H34B 108.3 . . ?
P2 C34 H34B 108.3 . . ?
H34A C34 H34B 107.4 . . ?
C34 C35 C36 104.9(14) . . ?
C34 C35 H35A 110.8 . . ?
C36 C35 H35A 110.8 . . ?
C34 C35 H35B 110.8 . . ?
C36 C35 H35B 110.8 . . ?
H35A C35 H35B 108.8 . . ?
C37 C36 C35 102.1(17) . . ?
C37 C36 H36A 111.3 . . ?
C35 C36 H36A 111.3 . . ?
C37 C36 H36B 111.3 . . ?
C35 C36 H36B 111.3 . . ?
H36A C36 H36B 109.2 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 P2 120.4(14) . . ?
C39 C38 H38A 107.2 . . ?
P2 C38 H38A 107.2 . . ?
C39 C38 H38B 107.2 . . ?
P2 C38 H38B 107.2 . . ?
H38A C38 H38B 106.9 . . ?
C38 C39 C40 106.1(12) . . ?
C38 C39 H39A 110.5 . . ?
C40 C39 H39A 110.5 . . ?
C38 C39 H39B 110.5 . . ?
C40 C39 H39B 110.5 . . ?
H39A C39 H39B 108.7 . . ?
C41 C40 C39 102.5(15) . . ?
C41 C40 H40A 111.3 . . ?
C39 C40 H40A 111.3 . . ?
C41 C40 H40B 111.3 . . ?
C39 C40 H40B 111.3 . . ?
H40A C40 H40B 109.2 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 P2 113.3(14) . . ?
C43 C42 H42A 108.9 . . ?
P2 C42 H42A 108.9 . . ?
C43 C42 H42B 108.9 . . ?
P2 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C42 C43 C44 117.5(17) . . ?
C42 C43 H43A 107.9 . . ?
C44 C43 H43A 107.9 . . ?
C42 C43 H43B 107.9 . . ?
C44 C43 H43B 107.9 . . ?
H43A C43 H43B 107.2 . . ?
C45 C44 C43 114.1(17) . . ?
C45 C44 H44A 108.7 . . ?
C43 C44 H44A 108.7 . . ?
C45 C44 H44B 108.7 . . ?
C43 C44 H44B 108.7 . . ?
H44A C44 H44B 107.6 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C23B C22B P1 107.7(18) . . ?
C23B C22B H22C 110.2 . . ?
P1 C22B H22C 110.2 . . ?
C23B C22B H22D 110.2 . . ?
P1 C22B H22D 110.2 . . ?
H22C C22B H22D 108.5 . . ?
C22B C23B C24B 93.2(19) . . ?
C22B C23B H23C 113.1 . . ?
C24B C23B H23C 113.1 . . ?
C22B C23B H23D 113.1 . . ?
C24B C23B H23D 113.1 . . ?
H23C C23B H23D 110.5 . . ?
C25B C24B C23B 123(3) . . ?
C25B C24B H24C 106.5 . . ?
C23B C24B H24C 106.5 . . ?
C25B C24B H24D 106.5 . . ?
C23B C24B H24D 106.5 . . ?
H24C C24B H24D 106.5 . . ?
C24B C25B H25D 109.5 . . ?
C24B C25B H25E 109.5 . . ?
H25D C25B H25E 109.5 . . ?
C24B C25B H25F 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C27B C26B P1 127(2) . . ?
C27B C26B H26C 105.5 . . ?
P1 C26B H26C 105.5 . . ?
C27B C26B H26D 105.5 . . ?
P1 C26B H26D 105.5 . . ?
H26C C26B H26D 106.0 . . ?
C26B C27B C28B 119(2) . . ?
C26B C27B H27C 107.5 . . ?
C28B C27B H27C 107.5 . . ?
C26B C27B H27D 107.5 . . ?
C28B C27B H27D 107.5 . . ?
H27C C27B H27D 107.0 . . ?
C29B C28B C27B 101(3) . . ?
C29B C28B H28C 111.6 . . ?
C27B C28B H28C 111.6 . . ?
C29B C28B H28D 111.6 . . ?
C27B C28B H28D 111.6 . . ?
H28C C28B H28D 109.4 . . ?
C28B C29B H29D 109.5 . . ?
C28B C29B H29E 109.5 . . ?
H29D C29B H29E 109.5 . . ?
C28B C29B H29F 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C31B C30B P1 120.0(19) . . ?
C31B C30B H30C 107.3 . . ?
P1 C30B H30C 107.3 . . ?
C31B C30B H30D 107.3 . . ?
P1 C30B H30D 107.3 . . ?
H30C C30B H30D 106.9 . . ?
C30B C31B C32B 112(2) . . ?
C30B C31B H31C 109.2 . . ?
C32B C31B H31C 109.2 . . ?
C30B C31B H31D 109.2 . . ?
C32B C31B H31D 109.2 . . ?
H31C C31B H31D 107.9 . . ?
C33B C32B C31B 87(3) . . ?
C33B C32B H32C 114.1 . . ?
C31B C32B H32C 114.1 . . ?
C33B C32B H32D 114.1 . . ?
C31B C32B H32D 114.1 . . ?
H32C C32B H32D 111.3 . . ?
C32B C33B H33D 109.5 . . ?
C32B C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
C32B C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
C35B C34B P2 109(2) . . ?
C35B C34B H34C 109.9 . . ?
P2 C34B H34C 109.9 . . ?
C35B C34B H34D 109.9 . . ?
P2 C34B H34D 109.9 . . ?
H34C C34B H34D 108.3 . . ?
C34B C35B C36B 115(3) . . ?
C34B C35B H35C 108.4 . . ?
C36B C35B H35C 108.4 . . ?
C34B C35B H35D 108.4 . . ?
C36B C35B H35D 108.4 . . ?
H35C C35B H35D 107.5 . . ?
C35B C36B C37B 113(4) . . ?
C35B C36B H36C 109.0 . . ?
C37B C36B H36C 109.0 . . ?
C35B C36B H36D 109.0 . . ?
C37B C36B H36D 109.0 . . ?
H36C C36B H36D 107.8 . . ?
C36B C37B H37D 109.5 . . ?
C36B C37B H37E 109.5 . . ?
H37D C37B H37E 109.5 . . ?
C36B C37B H37F 109.5 . . ?
H37D C37B H37F 109.5 . . ?
H37E C37B H37F 109.5 . . ?
C39B C38B P2 111(2) . . ?
C39B C38B H38C 109.4 . . ?
P2 C38B H38C 109.4 . . ?
C39B C38B H38D 109.4 . . ?
P2 C38B H38D 109.4 . . ?
H38C C38B H38D 108.0 . . ?
C38B C39B C40B 115(3) . . ?
C38B C39B H39C 108.6 . . ?
C40B C39B H39C 108.6 . . ?
C38B C39B H39D 108.6 . . ?
C40B C39B H39D 108.6 . . ?
H39C C39B H39D 107.6 . . ?
C41B C40B C39B 108(3) . . ?
C41B C40B H40C 110.2 . . ?
C39B C40B H40C 110.2 . . ?
C41B C40B H40D 110.2 . . ?
C39B C40B H40D 110.2 . . ?
H40C C40B H40D 108.5 . . ?
C40B C41B H41D 109.5 . . ?
C40B C41B H41E 109.5 . . ?
H41D C41B H41E 109.5 . . ?
C40B C41B H41F 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
C43B C42B P2 116(3) . . ?
C43B C42B H42C 108.2 . . ?
P2 C42B H42C 108.2 . . ?
C43B C42B H42D 108.2 . . ?
P2 C42B H42D 108.2 . . ?
H42C C42B H42D 107.4 . . ?
C42B C43B C44B 105(3) . . ?
C42B C43B H43C 110.8 . . ?
C44B C43B H43C 110.8 . . ?
C42B C43B H43D 110.8 . . ?
C44B C43B H43D 110.8 . . ?
H43C C43B H43D 108.9 . . ?
C43B C44B C45B 96(3) . . ?
C43B C44B H44C 112.5 . . ?
C45B C44B H44C 112.5 . . ?
C43B C44B H44D 112.5 . . ?
C45B C44B H44D 112.5 . . ?
H44C C44B H44D 110.0 . . ?
C44B C45B H45D 109.5 . . ?
C44B C45B H45E 109.5 . . ?
H45D C45B H45E 109.5 . . ?
C44B C45B H45F 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.61
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.513
_refine_diff_density_min         -1.184
_refine_diff_density_rms         0.077
_database_code_depnum_ccdc_archive 'CCDC 973944'
