# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2009

#######################################################################
#
#                 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_KG067
_database_code_depnum_ccdc_archive 'CCDC 750130'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_formula_moiety         'C36 H66 Cl4 P2 Pt Zr, C6 H6'
_chemical_formula_sum            'C42 H72 Cl4 P2 Pt Zr'
_chemical_formula_weight         1067.05

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'
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'
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1 '
_symmetry_space_group_name_Hall  '-P 1 '

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

_cell_length_a                   9.9917(6)
_cell_length_b                   11.4166(7)
_cell_length_c                   21.0484(13)
_cell_angle_alpha                80.8930(10)
_cell_angle_beta                 78.9090(10)
_cell_angle_gamma                86.6100(10)
_cell_volume                     2325.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    167(2)
_cell_measurement_reflns_used    8657
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      28.36


_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080
_exptl_absorpt_coefficient_mu    3.555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5706852
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_process_details   'SadAbs-2008/1 (Bruker, 2008)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      167(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            62295
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.00
_diffrn_reflns_theta_max         28.36
_reflns_number_total             11584
_reflns_number_gt                11069
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Smart-NT v. 5.63'
_computing_cell_refinement       'Saint-NT v. 7.23'
_computing_data_reduction        'Saint-NT v. 7.23'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP in ShelxTL-97'
_computing_publication_material  'XP in ShelxTL-97'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0355P)^2^+4.9600P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11584
_refine_ls_number_parameters     506
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0551
_refine_ls_wR_factor_ref         0.1160
_refine_ls_wR_factor_gt          0.1148
_refine_ls_goodness_of_fit_ref   1.466
_refine_ls_restrained_S_all      1.461
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C11 C 0.6606(5) 0.4310(5) 0.3509(3) 0.0280(11) Uani 1 1 d . . .
H11A H 0.6471 0.4763 0.3089 0.034 Uiso 1 1 calc R . .
C12 C 0.5597(6) 0.3311(5) 0.3652(3) 0.0354(12) Uani 1 1 d . . .
H12A H 0.5640 0.2854 0.4078 0.042 Uiso 1 1 calc R . .
H12B H 0.5841 0.2785 0.3326 0.042 Uiso 1 1 calc R . .
C13 C 0.4148(6) 0.3805(6) 0.3645(3) 0.0394(14) Uani 1 1 d . . .
H13A H 0.4084 0.4202 0.3209 0.047 Uiso 1 1 calc R . .
H13B H 0.3518 0.3158 0.3757 0.047 Uiso 1 1 calc R . .
C14 C 0.3751(6) 0.4678(6) 0.4131(3) 0.0423(15) Uani 1 1 d . . .
H14A H 0.2848 0.5014 0.4100 0.051 Uiso 1 1 calc R . .
H14B H 0.3721 0.4261 0.4572 0.051 Uiso 1 1 calc R . .
C15 C 0.4757(7) 0.5664(6) 0.3999(4) 0.0502(17) Uani 1 1 d . . .
H15A H 0.4504 0.6184 0.4328 0.060 Uiso 1 1 calc R . .
H15B H 0.4719 0.6130 0.3575 0.060 Uiso 1 1 calc R . .
C16 C 0.6216(6) 0.5176(6) 0.4008(3) 0.0412(15) Uani 1 1 d . . .
H16A H 0.6279 0.4770 0.4443 0.049 Uiso 1 1 calc R . .
H16B H 0.6843 0.5825 0.3901 0.049 Uiso 1 1 calc R . .
C21 C 0.8915(6) 0.3034(5) 0.4138(3) 0.0291(11) Uani 1 1 d . . .
H21A H 0.9837 0.2706 0.4006 0.035 Uiso 1 1 calc R . .
C22 C 0.8063(7) 0.1964(5) 0.4473(3) 0.0367(13) Uani 1 1 d . . .
H22A H 0.7153 0.2230 0.4660 0.044 Uiso 1 1 calc R . .
H22B H 0.7982 0.1458 0.4154 0.044 Uiso 1 1 calc R . .
C23 C 0.8742(8) 0.1268(6) 0.5011(4) 0.0486(17) Uani 1 1 d . . .
H23A H 0.8194 0.0593 0.5225 0.058 Uiso 1 1 calc R . .
H23B H 0.9632 0.0968 0.4818 0.058 Uiso 1 1 calc R . .
C24 C 0.8908(9) 0.2037(7) 0.5517(4) 0.0541(19) Uani 1 1 d . . .
H24A H 0.8016 0.2276 0.5741 0.065 Uiso 1 1 calc R . .
H24B H 0.9384 0.1583 0.5840 0.065 Uiso 1 1 calc R . .
C25 C 0.9701(10) 0.3123(7) 0.5191(4) 0.063(2) Uani 1 1 d . . .
H25A H 1.0626 0.2883 0.5013 0.076 Uiso 1 1 calc R . .
H25B H 0.9745 0.3628 0.5516 0.076 Uiso 1 1 calc R . .
C26 C 0.9049(9) 0.3830(6) 0.4641(3) 0.0524(19) Uani 1 1 d . . .
H26A H 0.8154 0.4135 0.4823 0.063 Uiso 1 1 calc R . .
H26B H 0.9608 0.4499 0.4429 0.063 Uiso 1 1 calc R . .
C31 C 0.9409(5) 0.5125(4) 0.3125(3) 0.0261(10) Uani 1 1 d . . .
H31A H 0.9165 0.5605 0.3480 0.031 Uiso 1 1 calc R . .
C32 C 1.0943(6) 0.4857(5) 0.3038(3) 0.0386(14) Uani 1 1 d . . .
H32A H 1.1207 0.4348 0.2704 0.046 Uiso 1 1 calc R . .
H32B H 1.1158 0.4434 0.3445 0.046 Uiso 1 1 calc R . .
C33 C 1.1759(6) 0.5994(6) 0.2839(4) 0.0462(16) Uani 1 1 d . . .
H33A H 1.1559 0.6469 0.3191 0.055 Uiso 1 1 calc R . .
H33B H 1.2726 0.5788 0.2770 0.055 Uiso 1 1 calc R . .
C34 C 1.1413(7) 0.6716(6) 0.2218(4) 0.0472(16) Uani 1 1 d . . .
H34A H 1.1908 0.7448 0.2116 0.057 Uiso 1 1 calc R . .
H34B H 1.1687 0.6271 0.1855 0.057 Uiso 1 1 calc R . .
C35 C 0.9889(6) 0.6997(6) 0.2309(4) 0.0423(15) Uani 1 1 d . . .
H35A H 0.9634 0.7502 0.2646 0.051 Uiso 1 1 calc R . .
H35B H 0.9673 0.7428 0.1904 0.051 Uiso 1 1 calc R . .
C36 C 0.9070(6) 0.5874(5) 0.2503(3) 0.0353(12) Uani 1 1 d . . .
H36A H 0.9260 0.5406 0.2148 0.042 Uiso 1 1 calc R . .
H36B H 0.8104 0.6087 0.2575 0.042 Uiso 1 1 calc R . .
C41 C 0.6625(6) 0.0955(5) 0.1714(3) 0.0335(12) Uani 1 1 d . A .
H41A H 0.6120 0.1023 0.1353 0.040 Uiso 1 1 calc R . .
C42 C 0.5576(7) 0.0854(6) 0.2359(4) 0.0439(15) Uani 1 1 d . . .
H42A H 0.6052 0.0801 0.2724 0.053 Uiso 1 1 calc R . .
H42B H 0.4990 0.1562 0.2359 0.053 Uiso 1 1 calc R . .
C43 C 0.4706(7) -0.0232(6) 0.2449(4) 0.0523(18) Uani 1 1 d . . .
H43A H 0.4082 -0.0287 0.2866 0.063 Uiso 1 1 calc R . .
H43B H 0.4169 -0.0148 0.2105 0.063 Uiso 1 1 calc R . .
C44 C 0.5591(7) -0.1359(6) 0.2427(4) 0.0486(17) Uani 1 1 d . . .
H44A H 0.6053 -0.1489 0.2798 0.058 Uiso 1 1 calc R . .
H44B H 0.5019 -0.2031 0.2458 0.058 Uiso 1 1 calc R . .
C45 C 0.6641(6) -0.1274(5) 0.1796(3) 0.0391(14) Uani 1 1 d . . .
H45A H 0.6178 -0.1236 0.1428 0.047 Uiso 1 1 calc R . .
H45B H 0.7228 -0.1982 0.1807 0.047 Uiso 1 1 calc R . .
C46 C 0.7512(6) -0.0178(5) 0.1701(3) 0.0324(12) Uani 1 1 d . . .
H46A H 0.8046 -0.0253 0.2045 0.039 Uiso 1 1 calc R . .
H46B H 0.8139 -0.0131 0.1284 0.039 Uiso 1 1 calc R . .
C51 C 0.8932(8) 0.2248(6) 0.0845(3) 0.0434(15) Uani 1 1 d . A .
H51A H 0.9576 0.1603 0.0958 0.052 Uiso 1 1 calc R . .
C52 C 0.9772(10) 0.3375(7) 0.0656(4) 0.060(2) Uani 1 1 d . . .
H52A H 0.9208 0.4038 0.0500 0.072 Uiso 1 1 calc R . .
H52B H 1.0084 0.3559 0.1037 0.072 Uiso 1 1 calc R . .
C53 C 1.0998(10) 0.3189(8) 0.0120(4) 0.067(2) Uani 1 1 d . . .
H53A H 1.1522 0.3906 0.0002 0.081 Uiso 1 1 calc R . .
H53B H 1.1583 0.2551 0.0286 0.081 Uiso 1 1 calc R . .
C54 C 1.0554(11) 0.2889(8) -0.0479(4) 0.071(3) Uani 1 1 d . . .
H54A H 1.1350 0.2734 -0.0802 0.086 Uiso 1 1 calc R . .
H54B H 1.0041 0.3557 -0.0669 0.086 Uiso 1 1 calc R . .
C55 C 0.9670(11) 0.1801(8) -0.0296(4) 0.073(3) Uani 1 1 d . . .
H55A H 0.9354 0.1645 -0.0682 0.088 Uiso 1 1 calc R . .
H55B H 1.0219 0.1118 -0.0150 0.088 Uiso 1 1 calc R . .
C56 C 0.8445(9) 0.1956(7) 0.0240(3) 0.057(2) Uani 1 1 d . . .
H56A H 0.7934 0.1233 0.0356 0.069 Uiso 1 1 calc R . .
H56B H 0.7849 0.2594 0.0084 0.069 Uiso 1 1 calc R . .
C100 C 0.4482(12) 1.0362(11) 0.4440(6) 0.095(4) Uani 1 1 d D . .
H10A H 0.4128 1.0604 0.4061 0.115 Uiso 1 1 calc R . .
C101 C 0.5520(12) 0.9518(12) 0.4439(6) 0.099(4) Uani 1 1 d D . .
H10D H 0.5871 0.9198 0.4059 0.119 Uiso 1 1 calc R . .
C102 C 0.6044(11) 0.9142(11) 0.5001(7) 0.108(4) Uani 1 1 d D . .
H10E H 0.6740 0.8564 0.5004 0.130 Uiso 1 1 calc R . .
C110 C 0.5254(9) 0.8787(8) 0.0088(4) 0.076(3) Uani 1 1 d D . .
H11B H 0.5426 0.7971 0.0144 0.091 Uiso 1 1 calc R . .
C111 C 0.4219(9) 0.9274(9) 0.0512(4) 0.075(3) Uani 1 1 d D . .
H11E H 0.3698 0.8789 0.0857 0.090 Uiso 1 1 calc R . .
C112 C 0.3963(9) 1.0482(9) 0.0422(4) 0.076(3) Uani 1 1 d D . .
H11F H 0.3261 1.0811 0.0705 0.092 Uiso 1 1 calc R . .
C61A C 0.671(2) 0.3652(11) 0.1284(12) 0.031(4) Uani 0.33(2) 1 d PDU A 1
H61A H 0.7378 0.4124 0.0957 0.037 Uiso 0.33(2) 1 calc PR A 1
C62A C 0.560(4) 0.337(2) 0.093(2) 0.043(6) Uani 0.33(2) 1 d PDU A 1
H62A H 0.6018 0.3025 0.0542 0.051 Uiso 0.33(2) 1 calc PR A 1
H62B H 0.4990 0.2803 0.1212 0.051 Uiso 0.33(2) 1 calc PR A 1
C63A C 0.481(3) 0.450(2) 0.0727(11) 0.048(6) Uani 0.33(2) 1 d PDU A 1
H63A H 0.5373 0.4964 0.0357 0.058 Uiso 0.33(2) 1 calc PR A 1
H63B H 0.4011 0.4281 0.0578 0.058 Uiso 0.33(2) 1 calc PR A 1
C64A C 0.435(2) 0.528(2) 0.1252(12) 0.049(6) Uani 0.33(2) 1 d PDU A 1
H64A H 0.3633 0.4881 0.1581 0.059 Uiso 0.33(2) 1 calc PR A 1
H64B H 0.3957 0.6014 0.1057 0.059 Uiso 0.33(2) 1 calc PR A 1
C65A C 0.549(5) 0.555(5) 0.158(3) 0.044(6) Uani 0.33(2) 1 d PDU A 1
H65A H 0.5114 0.5956 0.1950 0.053 Uiso 0.33(2) 1 calc PR A 1
H65B H 0.6123 0.6076 0.1272 0.053 Uiso 0.33(2) 1 calc PR A 1
C66A C 0.625(2) 0.437(2) 0.1816(12) 0.036(4) Uani 0.33(2) 1 d PU A 1
H66A H 0.7034 0.4555 0.1986 0.044 Uiso 0.33(2) 1 calc PR A 1
H66B H 0.5643 0.3904 0.2170 0.044 Uiso 0.33(2) 1 calc PR A 1
C61B C 0.6293(10) 0.3484(8) 0.1524(6) 0.034(2) Uani 0.67(2) 1 d PDU A 2
H61B H 0.5644 0.3331 0.1939 0.041 Uiso 0.67(2) 1 calc PR A 2
C62B C 0.541(2) 0.3567(16) 0.1002(11) 0.053(5) Uani 0.67(2) 1 d PDU A 2
H62C H 0.5999 0.3695 0.0574 0.063 Uiso 0.67(2) 1 calc PR A 2
H62D H 0.4976 0.2815 0.1045 0.063 Uiso 0.67(2) 1 calc PR A 2
C63B C 0.4320(14) 0.4549(10) 0.1036(11) 0.071(5) Uani 0.67(2) 1 d PDU A 2
H63C H 0.3864 0.4588 0.0666 0.086 Uiso 0.67(2) 1 calc PR A 2
H63D H 0.3646 0.4356 0.1433 0.086 Uiso 0.67(2) 1 calc PR A 2
C64B C 0.4886(13) 0.5749(9) 0.1032(7) 0.052(3) Uani 0.67(2) 1 d PDU A 2
H64C H 0.5459 0.6002 0.0611 0.062 Uiso 0.67(2) 1 calc PR A 2
H64D H 0.4141 0.6328 0.1099 0.062 Uiso 0.67(2) 1 calc PR A 2
C65B C 0.571(3) 0.569(3) 0.1568(14) 0.058(5) Uani 0.67(2) 1 d PDU A 2
H65C H 0.6123 0.6446 0.1539 0.070 Uiso 0.67(2) 1 calc PR A 2
H65D H 0.5110 0.5530 0.1991 0.070 Uiso 0.67(2) 1 calc PR A 2
C66B C 0.6814(15) 0.4730(10) 0.1519(7) 0.047(3) Uani 0.67(2) 1 d PU A 2
H66D H 0.7288 0.4702 0.1883 0.056 Uiso 0.67(2) 1 calc PR A 2
H66E H 0.7469 0.4942 0.1118 0.056 Uiso 0.67(2) 1 calc PR A 2
Cl1 Cl 1.1927(2) 0.26779(19) 0.18431(13) 0.0743(7) Uani 1 1 d . A .
Cl2 Cl 1.17033(18) 0.12555(19) 0.34086(11) 0.0590(5) Uani 1 1 d . A .
Cl3 Cl 0.88578(17) -0.01738(14) 0.32693(8) 0.0435(3) Uani 1 1 d . A .
Cl4 Cl 1.10275(16) -0.00681(14) 0.17898(8) 0.0446(4) Uani 1 1 d . A .
P1 P 0.84162(13) 0.37662(11) 0.33683(7) 0.0239(3) Uani 1 1 d . . .
P2 P 0.76313(17) 0.22948(13) 0.15947(7) 0.0334(3) Uani 1 1 d D . .
Pt1 Pt 0.83982(2) 0.273526(17) 0.250080(10) 0.02455(6) Uani 1 1 d . A .
Zr2 Zr 1.03834(5) 0.12749(5) 0.25709(3) 0.03078(12) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C11 0.026(3) 0.031(3) 0.029(3) -0.010(2) -0.005(2) 0.004(2)
C12 0.032(3) 0.033(3) 0.043(3) -0.012(2) -0.008(2) 0.000(2)
C13 0.028(3) 0.052(4) 0.042(3) -0.016(3) -0.007(2) 0.000(3)
C14 0.026(3) 0.060(4) 0.043(3) -0.019(3) -0.005(2) 0.009(3)
C15 0.039(4) 0.051(4) 0.062(4) -0.030(3) 0.000(3) 0.012(3)
C16 0.033(3) 0.046(4) 0.048(4) -0.028(3) -0.001(3) 0.001(3)
C21 0.032(3) 0.027(3) 0.029(3) -0.003(2) -0.009(2) 0.002(2)
C22 0.047(3) 0.032(3) 0.031(3) -0.001(2) -0.011(3) -0.006(3)
C23 0.057(4) 0.036(3) 0.050(4) 0.010(3) -0.016(3) -0.002(3)
C24 0.069(5) 0.055(4) 0.039(4) 0.008(3) -0.026(4) 0.001(4)
C25 0.105(7) 0.050(4) 0.046(4) 0.001(3) -0.047(4) -0.018(4)
C26 0.096(6) 0.031(3) 0.040(4) -0.005(3) -0.035(4) -0.005(3)
C31 0.028(3) 0.021(2) 0.030(3) -0.003(2) -0.008(2) -0.0017(19)
C32 0.031(3) 0.030(3) 0.055(4) 0.001(3) -0.014(3) 0.000(2)
C33 0.029(3) 0.040(3) 0.067(5) 0.005(3) -0.013(3) -0.007(3)
C34 0.038(3) 0.038(3) 0.058(4) 0.005(3) -0.001(3) -0.003(3)
C35 0.039(3) 0.033(3) 0.051(4) 0.007(3) -0.009(3) -0.001(3)
C36 0.038(3) 0.034(3) 0.034(3) 0.002(2) -0.012(2) -0.003(2)
C41 0.043(3) 0.031(3) 0.030(3) -0.011(2) -0.009(2) 0.003(2)
C42 0.043(4) 0.032(3) 0.053(4) -0.013(3) 0.003(3) 0.004(3)
C43 0.038(4) 0.049(4) 0.068(5) -0.023(4) 0.006(3) -0.003(3)
C44 0.046(4) 0.035(3) 0.060(4) -0.008(3) 0.004(3) -0.007(3)
C45 0.036(3) 0.032(3) 0.052(4) -0.015(3) -0.011(3) 0.004(2)
C46 0.033(3) 0.029(3) 0.038(3) -0.013(2) -0.006(2) -0.001(2)
C51 0.067(4) 0.034(3) 0.029(3) -0.009(2) -0.003(3) -0.007(3)
C52 0.094(6) 0.046(4) 0.036(4) -0.009(3) 0.009(4) -0.022(4)
C53 0.090(6) 0.056(5) 0.046(4) -0.004(4) 0.014(4) -0.020(4)
C54 0.101(7) 0.063(5) 0.040(4) -0.012(4) 0.016(4) -0.002(5)
C55 0.117(8) 0.064(5) 0.037(4) -0.022(4) 0.005(4) -0.012(5)
C56 0.085(6) 0.061(5) 0.029(3) -0.015(3) -0.008(3) -0.010(4)
C100 0.075(7) 0.120(10) 0.088(8) 0.030(7) -0.032(6) -0.041(7)
C101 0.087(8) 0.129(11) 0.076(8) -0.006(7) 0.006(6) -0.050(8)
C102 0.065(7) 0.103(9) 0.147(13) 0.009(10) -0.012(8) -0.024(6)
C110 0.081(7) 0.086(7) 0.062(6) -0.016(5) -0.015(5) 0.003(5)
C111 0.065(6) 0.111(8) 0.048(5) -0.005(5) -0.010(4) -0.014(5)
C112 0.054(5) 0.127(9) 0.048(5) -0.023(5) -0.005(4) 0.007(5)
C61A 0.043(11) 0.025(8) 0.026(10) 0.002(6) -0.015(8) -0.007(7)
C62A 0.041(12) 0.049(14) 0.049(13) -0.025(10) -0.024(10) 0.013(10)
C63A 0.043(12) 0.065(13) 0.038(11) -0.007(9) -0.017(8) 0.013(10)
C64A 0.039(11) 0.041(12) 0.067(14) -0.011(10) -0.010(9) 0.012(9)
C65A 0.043(13) 0.031(11) 0.057(16) -0.012(10) 0.001(10) -0.007(8)
C66A 0.039(10) 0.036(10) 0.039(11) -0.013(8) -0.010(8) -0.004(7)
C61B 0.036(5) 0.031(4) 0.033(6) -0.001(4) -0.006(4) -0.001(4)
C62B 0.052(9) 0.039(6) 0.080(12) -0.027(7) -0.031(9) 0.008(6)
C63B 0.050(8) 0.038(6) 0.129(15) 0.004(8) -0.040(8) 0.004(5)
C64B 0.041(6) 0.033(5) 0.077(8) 0.001(5) -0.007(5) 0.005(4)
C65B 0.073(13) 0.038(8) 0.064(10) -0.013(8) -0.012(9) 0.017(8)
C66B 0.063(8) 0.028(5) 0.058(7) -0.015(5) -0.030(6) 0.008(4)
Cl1 0.0600(12) 0.0573(11) 0.0926(16) -0.0188(11) 0.0296(11) -0.0207(9)
Cl2 0.0412(9) 0.0737(12) 0.0756(13) -0.0376(10) -0.0296(9) 0.0199(8)
Cl3 0.0467(9) 0.0396(8) 0.0405(8) -0.0006(6) -0.0035(7) -0.0013(6)
Cl4 0.0383(8) 0.0436(8) 0.0522(9) -0.0238(7) 0.0030(7) 0.0037(6)
P1 0.0247(6) 0.0227(6) 0.0249(6) -0.0057(5) -0.0050(5) 0.0014(5)
P2 0.0489(9) 0.0257(7) 0.0281(7) -0.0082(6) -0.0101(6) 0.0004(6)
Pt1 0.02711(10) 0.02352(10) 0.02401(10) -0.00836(7) -0.00442(7) 0.00292(7)
Zr2 0.0245(3) 0.0300(3) 0.0384(3) -0.0119(2) -0.0032(2) 0.0046(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
C11 C12 1.523(8) . ?
C11 C16 1.537(7) . ?
C11 P1 1.861(5) . ?
C11 H11A 0.9800 . ?
C12 C13 1.524(8) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.521(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.511(10) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.532(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C21 C22 1.528(8) . ?
C21 C26 1.529(8) . ?
C21 P1 1.845(5) . ?
C21 H21A 0.9800 . ?
C22 C23 1.524(9) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.521(11) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.508(11) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.533(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C31 C32 1.526(8) . ?
C31 C36 1.530(7) . ?
C31 P1 1.841(5) . ?
C31 H31A 0.9800 . ?
C32 C33 1.532(8) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.520(10) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.519(9) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.519(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C41 C46 1.525(8) . ?
C41 C42 1.540(9) . ?
C41 P2 1.838(6) . ?
C41 H41A 0.9800 . ?
C42 C43 1.522(9) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.519(10) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.519(9) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.531(8) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C51 C52 1.534(9) . ?
C51 C56 1.537(9) . ?
C51 P2 1.847(7) . ?
C51 H51A 0.9800 . ?
C52 C53 1.527(11) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.508(12) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.523(12) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.521(11) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C100 C101 1.374(9) . ?
C100 C102 1.385(7) 2_676 ?
C100 H10A 0.9300 . ?
C101 C102 1.381(9) . ?
C101 H10D 0.9300 . ?
C102 C100 1.385(7) 2_676 ?
C102 H10E 0.9300 . ?
C110 C111 1.382(8) . ?
C110 C112 1.390(6) 2_675 ?
C110 H11B 0.9300 . ?
C111 C112 1.378(8) . ?
C111 H11E 0.9300 . ?
C112 C110 1.390(6) 2_675 ?
C112 H11F 0.9300 . ?
C61A C66A 1.48(3) . ?
C61A C62A 1.522(10) . ?
C61A P2 1.850(5) . ?
C61A H61A 0.9800 . ?
C62A C63A 1.515(10) . ?
C62A H62A 0.9700 . ?
C62A H62B 0.9700 . ?
C63A C64A 1.512(10) . ?
C63A H63A 0.9700 . ?
C63A H63B 0.9700 . ?
C64A C65A 1.513(10) . ?
C64A H64A 0.9700 . ?
C64A H64B 0.9700 . ?
C65A C66A 1.57(6) . ?
C65A H65A 0.9700 . ?
C65A H65B 0.9700 . ?
C66A H66A 0.9700 . ?
C66A H66B 0.9700 . ?
C61B C62B 1.523(9) . ?
C61B C66B 1.541(18) . ?
C61B P2 1.858(5) . ?
C61B H61B 0.9800 . ?
C62B C63B 1.518(9) . ?
C62B H62C 0.9700 . ?
C62B H62D 0.9700 . ?
C63B C64B 1.511(9) . ?
C63B H63C 0.9700 . ?
C63B H63D 0.9700 . ?
C64B C65B 1.510(9) . ?
C64B H64C 0.9700 . ?
C64B H64D 0.9700 . ?
C65B C66B 1.50(3) . ?
C65B H65C 0.9700 . ?
C65B H65D 0.9700 . ?
C66B H66D 0.9700 . ?
C66B H66E 0.9700 . ?
Cl1 Zr2 2.428(2) . ?
Cl2 Zr2 2.3933(19) . ?
Cl3 Zr2 2.4262(17) . ?
Cl4 Zr2 2.3963(15) . ?
P1 Pt1 2.3270(13) . ?
P2 Pt1 2.3214(15) . ?
Pt1 Zr2 2.5257(6) . ?

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
C12 C11 C16 110.5(5) . . ?
C12 C11 P1 113.0(4) . . ?
C16 C11 P1 116.4(4) . . ?
C12 C11 H11A 105.3 . . ?
C16 C11 H11A 105.3 . . ?
P1 C11 H11A 105.3 . . ?
C11 C12 C13 110.8(5) . . ?
C11 C12 H12A 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C12 110.9(5) . . ?
C14 C13 H13A 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 108.0 . . ?
C15 C14 C13 111.2(5) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 111.5(6) . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C11 109.8(5) . . ?
C15 C16 H16A 109.7 . . ?
C11 C16 H16A 109.7 . . ?
C15 C16 H16B 109.7 . . ?
C11 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
C22 C21 C26 109.8(5) . . ?
C22 C21 P1 113.9(4) . . ?
C26 C21 P1 117.0(4) . . ?
C22 C21 H21A 105.0 . . ?
C26 C21 H21A 105.0 . . ?
P1 C21 H21A 105.0 . . ?
C23 C22 C21 109.6(5) . . ?
C23 C22 H22A 109.7 . . ?
C21 C22 H22A 109.7 . . ?
C23 C22 H22B 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C24 C23 C22 111.4(6) . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C25 C24 C23 110.3(6) . . ?
C25 C24 H24A 109.6 . . ?
C23 C24 H24A 109.6 . . ?
C25 C24 H24B 109.6 . . ?
C23 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 111.9(6) . . ?
C24 C25 H25A 109.2 . . ?
C26 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
C26 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C21 C26 C25 110.1(6) . . ?
C21 C26 H26A 109.6 . . ?
C25 C26 H26A 109.6 . . ?
C21 C26 H26B 109.6 . . ?
C25 C26 H26B 109.6 . . ?
H26A C26 H26B 108.2 . . ?
C32 C31 C36 109.8(5) . . ?
C32 C31 P1 112.1(4) . . ?
C36 C31 P1 112.4(4) . . ?
C32 C31 H31A 107.4 . . ?
C36 C31 H31A 107.4 . . ?
P1 C31 H31A 107.4 . . ?
C31 C32 C33 111.6(5) . . ?
C31 C32 H32A 109.3 . . ?
C33 C32 H32A 109.3 . . ?
C31 C32 H32B 109.3 . . ?
C33 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C34 C33 C32 111.3(6) . . ?
C34 C33 H33A 109.4 . . ?
C32 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C35 C34 C33 110.0(6) . . ?
C35 C34 H34A 109.7 . . ?
C33 C34 H34A 109.7 . . ?
C35 C34 H34B 109.7 . . ?
C33 C34 H34B 109.7 . . ?
H34A C34 H34B 108.2 . . ?
C36 C35 C34 111.4(5) . . ?
C36 C35 H35A 109.3 . . ?
C34 C35 H35A 109.3 . . ?
C36 C35 H35B 109.3 . . ?
C34 C35 H35B 109.3 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C31 112.0(5) . . ?
C35 C36 H36A 109.2 . . ?
C31 C36 H36A 109.2 . . ?
C35 C36 H36B 109.2 . . ?
C31 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
C46 C41 C42 109.5(5) . . ?
C46 C41 P2 112.7(4) . . ?
C42 C41 P2 111.2(4) . . ?
C46 C41 H41A 107.7 . . ?
C42 C41 H41A 107.7 . . ?
P2 C41 H41A 107.7 . . ?
C43 C42 C41 111.5(5) . . ?
C43 C42 H42A 109.3 . . ?
C41 C42 H42A 109.3 . . ?
C43 C42 H42B 109.3 . . ?
C41 C42 H42B 109.3 . . ?
H42A C42 H42B 108.0 . . ?
C44 C43 C42 111.0(6) . . ?
C44 C43 H43A 109.4 . . ?
C42 C43 H43A 109.4 . . ?
C44 C43 H43B 109.4 . . ?
C42 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C43 110.9(6) . . ?
C45 C44 H44A 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 108.0 . . ?
C44 C45 C46 111.6(5) . . ?
C44 C45 H45A 109.3 . . ?
C46 C45 H45A 109.3 . . ?
C44 C45 H45B 109.3 . . ?
C46 C45 H45B 109.3 . . ?
H45A C45 H45B 108.0 . . ?
C41 C46 C45 111.2(5) . . ?
C41 C46 H46A 109.4 . . ?
C45 C46 H46A 109.4 . . ?
C41 C46 H46B 109.4 . . ?
C45 C46 H46B 109.4 . . ?
H46A C46 H46B 108.0 . . ?
C52 C51 C56 109.6(6) . . ?
C52 C51 P2 112.3(4) . . ?
C56 C51 P2 117.1(5) . . ?
C52 C51 H51A 105.6 . . ?
C56 C51 H51A 105.6 . . ?
P2 C51 H51A 105.6 . . ?
C53 C52 C51 109.8(6) . . ?
C53 C52 H52A 109.7 . . ?
C51 C52 H52A 109.7 . . ?
C53 C52 H52B 109.7 . . ?
C51 C52 H52B 109.7 . . ?
H52A C52 H52B 108.2 . . ?
C54 C53 C52 111.2(8) . . ?
C54 C53 H53A 109.4 . . ?
C52 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C52 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C53 C54 C55 110.2(7) . . ?
C53 C54 H54A 109.6 . . ?
C55 C54 H54A 109.6 . . ?
C53 C54 H54B 109.6 . . ?
C55 C54 H54B 109.6 . . ?
H54A C54 H54B 108.1 . . ?
C56 C55 C54 112.3(7) . . ?
C56 C55 H55A 109.1 . . ?
C54 C55 H55A 109.1 . . ?
C56 C55 H55B 109.1 . . ?
C54 C55 H55B 109.1 . . ?
H55A C55 H55B 107.9 . . ?
C55 C56 C51 109.6(7) . . ?
C55 C56 H56A 109.7 . . ?
C51 C56 H56A 109.7 . . ?
C55 C56 H56B 109.7 . . ?
C51 C56 H56B 109.7 . . ?
H56A C56 H56B 108.2 . . ?
C101 C100 C102 120.8(10) . 2_676 ?
C101 C100 H10A 119.6 . . ?
C102 C100 H10A 119.6 2_676 . ?
C100 C101 C102 120.2(10) . . ?
C100 C101 H10D 119.9 . . ?
C102 C101 H10D 119.9 . . ?
C101 C102 C100 119.0(11) . 2_676 ?
C101 C102 H10E 120.5 . . ?
C100 C102 H10E 120.5 2_676 . ?
C111 C110 C112 119.9(8) . 2_675 ?
C111 C110 H11B 120.1 . . ?
C112 C110 H11B 120.1 2_675 . ?
C112 C111 C110 119.6(8) . . ?
C112 C111 H11E 120.2 . . ?
C110 C111 H11E 120.2 . . ?
C111 C112 C110 120.5(8) . 2_675 ?
C111 C112 H11F 119.8 . . ?
C110 C112 H11F 119.8 2_675 . ?
C66A C61A C62A 115(2) . . ?
C66A C61A P2 109.7(15) . . ?
C62A C61A P2 111.9(12) . . ?
C66A C61A H61A 106.4 . . ?
C62A C61A H61A 106.4 . . ?
P2 C61A H61A 106.4 . . ?
C63A C62A C61A 110.0(18) . . ?
C63A C62A H62A 109.7 . . ?
C61A C62A H62A 109.7 . . ?
C63A C62A H62B 109.7 . . ?
C61A C62A H62B 109.7 . . ?
H62A C62A H62B 108.2 . . ?
C64A C63A C62A 116(2) . . ?
C64A C63A H63A 108.3 . . ?
C62A C63A H63A 108.3 . . ?
C64A C63A H63B 108.3 . . ?
C62A C63A H63B 108.3 . . ?
H63A C63A H63B 107.4 . . ?
C63A C64A C65A 113(3) . . ?
C63A C64A H64A 109.0 . . ?
C65A C64A H64A 109.0 . . ?
C63A C64A H64B 109.0 . . ?
C65A C64A H64B 109.0 . . ?
H64A C64A H64B 107.8 . . ?
C64A C65A C66A 109(3) . . ?
C64A C65A H65A 109.8 . . ?
C66A C65A H65A 109.8 . . ?
C64A C65A H65B 109.8 . . ?
C66A C65A H65B 109.8 . . ?
H65A C65A H65B 108.2 . . ?
C61A C66A C65A 112(3) . . ?
C61A C66A H66A 109.2 . . ?
C65A C66A H66A 109.2 . . ?
C61A C66A H66B 109.2 . . ?
C65A C66A H66B 109.2 . . ?
H66A C66A H66B 107.9 . . ?
C62B C61B C66B 108.3(12) . . ?
C62B C61B P2 121.0(7) . . ?
C66B C61B P2 113.0(8) . . ?
C62B C61B H61B 104.2 . . ?
C66B C61B H61B 104.2 . . ?
P2 C61B H61B 104.2 . . ?
C63B C62B C61B 114.2(10) . . ?
C63B C62B H62C 108.7 . . ?
C61B C62B H62C 108.7 . . ?
C63B C62B H62D 108.7 . . ?
C61B C62B H62D 108.7 . . ?
H62C C62B H62D 107.6 . . ?
C64B C63B C62B 112.9(12) . . ?
C64B C63B H63C 109.0 . . ?
C62B C63B H63C 109.0 . . ?
C64B C63B H63D 109.0 . . ?
C62B C63B H63D 109.0 . . ?
H63C C63B H63D 107.8 . . ?
C65B C64B C63B 110.2(15) . . ?
C65B C64B H64C 109.6 . . ?
C63B C64B H64C 109.6 . . ?
C65B C64B H64D 109.6 . . ?
C63B C64B H64D 109.6 . . ?
H64C C64B H64D 108.1 . . ?
C66B C65B C64B 112(2) . . ?
C66B C65B H65C 109.3 . . ?
C64B C65B H65C 109.3 . . ?
C66B C65B H65D 109.3 . . ?
C64B C65B H65D 109.3 . . ?
H65C C65B H65D 107.9 . . ?
C65B C66B C61B 114.2(13) . . ?
C65B C66B H66D 108.7 . . ?
C61B C66B H66D 108.7 . . ?
C65B C66B H66E 108.7 . . ?
C61B C66B H66E 108.7 . . ?
H66D C66B H66E 107.6 . . ?
C31 P1 C21 105.5(2) . . ?
C31 P1 C11 104.5(2) . . ?
C21 P1 C11 111.3(3) . . ?
C31 P1 Pt1 113.06(18) . . ?
C21 P1 Pt1 121.74(18) . . ?
C11 P1 Pt1 99.48(17) . . ?
C41 P2 C51 106.9(3) . . ?
C41 P2 C61A 112.7(7) . . ?
C51 P2 C61A 96.6(9) . . ?
C41 P2 C61B 101.4(4) . . ?
C51 P2 C61B 114.8(5) . . ?
C41 P2 Pt1 116.97(19) . . ?
C51 P2 Pt1 116.3(2) . . ?
C61A P2 Pt1 105.5(7) . . ?
C61B P2 Pt1 99.6(4) . . ?
P2 Pt1 P1 155.57(5) . . ?
P2 Pt1 Zr2 101.86(4) . . ?
P1 Pt1 Zr2 102.56(4) . . ?
Cl2 Zr2 Cl4 118.74(6) . . ?
Cl2 Zr2 Cl3 91.18(7) . . ?
Cl4 Zr2 Cl3 90.48(6) . . ?
Cl2 Zr2 Cl1 89.93(9) . . ?
Cl4 Zr2 Cl1 87.50(7) . . ?
Cl3 Zr2 Cl1 177.97(7) . . ?
Cl2 Zr2 Pt1 120.03(5) . . ?
Cl4 Zr2 Pt1 121.20(5) . . ?
Cl3 Zr2 Pt1 89.98(4) . . ?
Cl1 Zr2 Pt1 90.93(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C16 C11 C12 C13 57.5(7) . . . . ?
P1 C11 C12 C13 -170.1(4) . . . . ?
C11 C12 C13 C14 -56.6(7) . . . . ?
C12 C13 C14 C15 55.8(8) . . . . ?
C13 C14 C15 C16 -56.2(8) . . . . ?
C14 C15 C16 C11 56.6(8) . . . . ?
C12 C11 C16 C15 -57.0(7) . . . . ?
P1 C11 C16 C15 172.4(5) . . . . ?
C26 C21 C22 C23 -59.1(7) . . . . ?
P1 C21 C22 C23 167.5(5) . . . . ?
C21 C22 C23 C24 58.6(8) . . . . ?
C22 C23 C24 C25 -56.3(9) . . . . ?
C23 C24 C25 C26 55.2(10) . . . . ?
C22 C21 C26 C25 58.0(8) . . . . ?
P1 C21 C26 C25 -170.3(6) . . . . ?
C24 C25 C26 C21 -56.5(10) . . . . ?
C36 C31 C32 C33 54.7(7) . . . . ?
P1 C31 C32 C33 -179.6(5) . . . . ?
C31 C32 C33 C34 -56.6(8) . . . . ?
C32 C33 C34 C35 56.5(8) . . . . ?
C33 C34 C35 C36 -56.5(8) . . . . ?
C34 C35 C36 C31 56.6(8) . . . . ?
C32 C31 C36 C35 -54.8(7) . . . . ?
P1 C31 C36 C35 179.6(4) . . . . ?
C46 C41 C42 C43 -56.8(7) . . . . ?
P2 C41 C42 C43 178.0(5) . . . . ?
C41 C42 C43 C44 56.9(8) . . . . ?
C42 C43 C44 C45 -55.6(9) . . . . ?
C43 C44 C45 C46 55.4(8) . . . . ?
C42 C41 C46 C45 56.0(7) . . . . ?
P2 C41 C46 C45 -179.6(4) . . . . ?
C44 C45 C46 C41 -56.3(7) . . . . ?
C56 C51 C52 C53 -59.1(9) . . . . ?
P2 C51 C52 C53 168.9(6) . . . . ?
C51 C52 C53 C54 58.8(10) . . . . ?
C52 C53 C54 C55 -56.3(10) . . . . ?
C53 C54 C55 C56 55.8(11) . . . . ?
C54 C55 C56 C51 -56.8(10) . . . . ?
C52 C51 C56 C55 57.9(9) . . . . ?
P2 C51 C56 C55 -172.7(5) . . . . ?
C102 C100 C101 C102 0.7(19) 2_676 . . . ?
C100 C101 C102 C100 -0.7(18) . . . 2_676 ?
C112 C110 C111 C112 0.6(16) 2_675 . . . ?
C110 C111 C112 C110 -0.6(16) . . . 2_675 ?
C66A C61A C62A C63A 49(4) . . . . ?
P2 C61A C62A C63A 176(2) . . . . ?
C61A C62A C63A C64A -47(5) . . . . ?
C62A C63A C64A C65A 51(5) . . . . ?
C63A C64A C65A C66A -51(5) . . . . ?
C62A C61A C66A C65A -54(4) . . . . ?
P2 C61A C66A C65A 179(2) . . . . ?
C64A C65A C66A C61A 53(5) . . . . ?
C66B C61B C62B C63B -50(2) . . . . ?
P2 C61B C62B C63B 176.9(12) . . . . ?
C61B C62B C63B C64B 54(3) . . . . ?
C62B C63B C64B C65B -54(3) . . . . ?
C63B C64B C65B C66B 55(3) . . . . ?
C64B C65B C66B C61B -56(3) . . . . ?
C62B C61B C66B C65B 52.0(19) . . . . ?
P2 C61B C66B C65B -171.0(13) . . . . ?
C32 C31 P1 C21 58.2(5) . . . . ?
C36 C31 P1 C21 -177.5(4) . . . . ?
C32 C31 P1 C11 175.6(4) . . . . ?
C36 C31 P1 C11 -60.1(4) . . . . ?
C32 C31 P1 Pt1 -77.2(4) . . . . ?
C36 C31 P1 Pt1 47.1(4) . . . . ?
C22 C21 P1 C31 172.4(4) . . . . ?
C26 C21 P1 C31 42.5(6) . . . . ?
C22 C21 P1 C11 59.6(5) . . . . ?
C26 C21 P1 C11 -70.3(6) . . . . ?
C22 C21 P1 Pt1 -57.1(5) . . . . ?
C26 C21 P1 Pt1 173.0(4) . . . . ?
C12 C11 P1 C31 174.3(4) . . . . ?
C16 C11 P1 C31 -56.3(5) . . . . ?
C12 C11 P1 C21 -72.2(5) . . . . ?
C16 C11 P1 C21 57.2(5) . . . . ?
C12 C11 P1 Pt1 57.4(4) . . . . ?
C16 C11 P1 Pt1 -173.2(4) . . . . ?
C46 C41 P2 C51 52.1(5) . . . . ?
C42 C41 P2 C51 175.5(5) . . . . ?
C46 C41 P2 C61A 157.1(10) . . . . ?
C42 C41 P2 C61A -79.5(10) . . . . ?
C46 C41 P2 C61B 172.7(6) . . . . ?
C42 C41 P2 C61B -63.9(6) . . . . ?
C46 C41 P2 Pt1 -80.3(4) . . . . ?
C42 C41 P2 Pt1 43.1(5) . . . . ?
C52 C51 P2 C41 175.2(6) . . . . ?
C56 C51 P2 C41 47.1(6) . . . . ?
C52 C51 P2 C61A 59.0(9) . . . . ?
C56 C51 P2 C61A -69.1(8) . . . . ?
C52 C51 P2 C61B 63.6(7) . . . . ?
C56 C51 P2 C61B -64.5(7) . . . . ?
C52 C51 P2 Pt1 -52.0(6) . . . . ?
C56 C51 P2 Pt1 179.9(5) . . . . ?
C66A C61A P2 C41 105.8(17) . . . . ?
C62A C61A P2 C41 -24(3) . . . . ?
C66A C61A P2 C51 -142.8(18) . . . . ?
C62A C61A P2 C51 88(3) . . . . ?
C66A C61A P2 C61B 50(3) . . . . ?
C62A C61A P2 C61B -79(3) . . . . ?
C66A C61A P2 Pt1 -23(2) . . . . ?
C62A C61A P2 Pt1 -152(2) . . . . ?
C62B C61B P2 C41 -57.5(16) . . . . ?
C66B C61B P2 C41 171.7(10) . . . . ?
C62B C61B P2 C51 57.4(16) . . . . ?
C66B C61B P2 C51 -73.5(11) . . . . ?
C62B C61B P2 C61A 72(3) . . . . ?
C66B C61B P2 C61A -59(3) . . . . ?
C62B C61B P2 Pt1 -177.7(15) . . . . ?
C66B C61B P2 Pt1 51.4(11) . . . . ?
C41 P2 Pt1 P1 -105.2(2) . . . . ?
C51 P2 Pt1 P1 126.7(3) . . . . ?
C61A P2 Pt1 P1 21.0(9) . . . . ?
C61B P2 Pt1 P1 2.9(5) . . . . ?
C41 P2 Pt1 Zr2 77.0(2) . . . . ?
C51 P2 Pt1 Zr2 -51.0(2) . . . . ?
C61A P2 Pt1 Zr2 -156.7(9) . . . . ?
C61B P2 Pt1 Zr2 -174.9(4) . . . . ?
C31 P1 Pt1 P2 -84.9(2) . . . . ?
C21 P1 Pt1 P2 147.8(2) . . . . ?
C11 P1 Pt1 P2 25.4(2) . . . . ?
C31 P1 Pt1 Zr2 92.87(18) . . . . ?
C21 P1 Pt1 Zr2 -34.4(2) . . . . ?
C11 P1 Pt1 Zr2 -156.86(18) . . . . ?
P2 Pt1 Zr2 Cl2 179.08(8) . . . . ?
P1 Pt1 Zr2 Cl2 0.03(8) . . . . ?
P2 Pt1 Zr2 Cl4 0.98(7) . . . . ?
P1 Pt1 Zr2 Cl4 -178.07(6) . . . . ?
P2 Pt1 Zr2 Cl3 -89.57(6) . . . . ?
P1 Pt1 Zr2 Cl3 91.38(5) . . . . ?
P2 Pt1 Zr2 Cl1 88.62(8) . . . . ?
P1 Pt1 Zr2 Cl1 -90.43(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        28.36
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.222
_refine_diff_density_min         -2.625
_refine_diff_density_rms         0.149