#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:48:03 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178668 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/79/4077955.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4077955
loop_
_publ_author_name
'Braunschweig, Holger'
'Friedrich, Maria'
'Radacki, Krzysztof'
'Wolf, Justin'
_publ_section_title
;
 Synthesis and Reactivity of Palladium- and Platinum-Bridged
 Heterobimetallic [3]Trochrocenophanes
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              3027
_journal_paper_doi               10.1021/om201119v
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C36 H54 Cl2 Cr P2 Pt'
_chemical_formula_sum            'C36 H54 Cl2 Cr P2 Pt'
_chemical_formula_weight         866.72
_chemical_name_common
;
?
;
_chemical_name_systematic
; 
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.951(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.131(3)
_cell_length_b                   18.699(2)
_cell_length_c                   17.4977(18)
_cell_measurement_reflns_used    3352
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.86
_cell_measurement_theta_min      2.18
_cell_volume                     7332.4(14)
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0700
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6921
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.08
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    4.365
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3488
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_platon_squeeze_details
;
The solven (benzene) molecule was haavily disordered and could be modeled 
only with 3 molecules of rigid geometry (AFIX 173) and apple amound of
constraints/restraints on ADPs. For this reason squeeze was used.
;
_refine_diff_density_max         0.780
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6921
_refine_ls_number_restraints     567
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0289P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0754
_reflns_number_gt                4554
_reflns_number_total             6921
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om201119v_si_002.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        7332.3(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4077955
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.236455(8) 0.495447(11) 0.136312(14) 0.02417(7) Uani 1 1 d . A .
Cl1 Cl 0.14792(6) 0.55671(8) 0.03627(10) 0.0421(4) Uani 1 1 d . . .
Cl2 Cl 0.27913(6) 0.56400(8) 0.07008(10) 0.0450(4) Uani 1 1 d . . .
P1 P 0.18065(6) 0.43891(8) 0.18311(9) 0.0237(3) Uani 1 1 d . . .
P2 P 0.33001(5) 0.45011(7) 0.22538(9) 0.0207(3) Uani 1 1 d . . .
C1_1 C 0.1077(2) 0.4102(3) 0.0873(3) 0.0252(13) Uani 1 1 d . A .
H1_1 H 0.0845 0.4550 0.0600 0.030 Uiso 1 1 calc R . .
C2_1 C 0.0703(2) 0.3655(3) 0.1143(4) 0.0306(14) Uani 1 1 d . . .
H2A_1 H 0.0902 0.3189 0.1386 0.037 Uiso 1 1 calc R A .
H2B_1 H 0.0674 0.3907 0.1617 0.037 Uiso 1 1 calc R . .
C3_1 C 0.0086(2) 0.3529(4) 0.0354(4) 0.0409(16) Uani 1 1 d . A .
H3A_1 H -0.0126 0.3991 0.0146 0.049 Uiso 1 1 calc R . .
H3B_1 H -0.0142 0.3221 0.0536 0.049 Uiso 1 1 calc R . .
C4_1 C 0.0114(2) 0.3174(4) -0.0401(4) 0.0510(19) Uani 1 1 d . . .
H4A_1 H -0.0294 0.3130 -0.0925 0.061 Uiso 1 1 calc R A .
H4B_1 H 0.0280 0.2686 -0.0217 0.061 Uiso 1 1 calc R . .
C5_1 C 0.0505(2) 0.3605(4) -0.0661(4) 0.052(2) Uani 1 1 d . A .
H5A_1 H 0.0539 0.3343 -0.1124 0.062 Uiso 1 1 calc R . .
H5B_1 H 0.0314 0.4072 -0.0913 0.062 Uiso 1 1 calc R . .
C6_1 C 0.1124(2) 0.3727(3) 0.0148(3) 0.0351(15) Uani 1 1 d . . .
H6A_1 H 0.1329 0.3262 0.0372 0.042 Uiso 1 1 calc R A .
H6B_1 H 0.1364 0.4021 -0.0025 0.042 Uiso 1 1 calc R . .
C1_2 C 0.1581(5) 0.4947(5) 0.2453(7) 0.0281(14) Uani 0.561(14) 1 d PDU A 1
H1_2 H 0.1387 0.4617 0.2680 0.034 Uiso 0.561(14) 1 calc PR A 1
C2_2 C 0.2129(4) 0.5248(7) 0.3281(7) 0.033(3) Uani 0.561(14) 1 d PDU A 1
H2A_2 H 0.2342 0.5580 0.3098 0.040 Uiso 0.561(14) 1 calc PR A 1
H2B_2 H 0.2404 0.4852 0.3622 0.040 Uiso 0.561(14) 1 calc PR A 1
C3_2 C 0.1954(5) 0.5643(7) 0.3876(6) 0.048(3) Uani 0.561(14) 1 d PDU A 1
H3A_2 H 0.1784 0.5299 0.4117 0.058 Uiso 0.561(14) 1 calc PR A 1
H3B_2 H 0.2315 0.5858 0.4386 0.058 Uiso 0.561(14) 1 calc PR A 1
C4_2 C 0.1501(5) 0.6227(6) 0.3367(8) 0.035(2) Uani 0.561(14) 1 d PDU A 1
H4A_2 H 0.1687 0.6601 0.3189 0.042 Uiso 0.561(14) 1 calc PR A 1
H4B_2 H 0.1377 0.6450 0.3760 0.042 Uiso 0.561(14) 1 calc PR A 1
C5_2 C 0.0954(4) 0.5931(7) 0.2541(7) 0.036(3) Uani 0.561(14) 1 d PDU A 1
H5A_2 H 0.0682 0.6330 0.2201 0.043 Uiso 0.561(14) 1 calc PR A 1
H5B_2 H 0.0739 0.5603 0.2723 0.043 Uiso 0.561(14) 1 calc PR A 1
C6_2 C 0.1125(5) 0.5531(7) 0.1944(5) 0.038(3) Uani 0.561(14) 1 d PDU A 1
H6A_2 H 0.0763 0.5314 0.1439 0.046 Uiso 0.561(14) 1 calc PR A 1
H6B_2 H 0.1291 0.5873 0.1697 0.046 Uiso 0.561(14) 1 calc PR A 1
C1_12 C 0.1620(6) 0.4977(7) 0.2556(11) 0.0281(14) Uani 0.439(14) 1 d PDU A 2
H1_12 H 0.1614 0.4651 0.3004 0.034 Uiso 0.439(14) 1 calc PR A 2
C2_12 C 0.2108(5) 0.5525(8) 0.3083(11) 0.033(3) Uani 0.439(14) 1 d PDU A 2
H2A_12 H 0.2491 0.5273 0.3457 0.040 Uiso 0.439(14) 1 calc PR A 2
H2B_12 H 0.2151 0.5837 0.2663 0.040 Uiso 0.439(14) 1 calc PR A 2
C3_12 C 0.1974(5) 0.5984(9) 0.3676(9) 0.048(3) Uani 0.439(14) 1 d PDU A 2
H3A_12 H 0.2001 0.5685 0.4163 0.058 Uiso 0.439(14) 1 calc PR A 2
H3B_12 H 0.2278 0.6366 0.3949 0.058 Uiso 0.439(14) 1 calc PR A 2
C4_12 C 0.1359(6) 0.6321(7) 0.3166(11) 0.035(2) Uani 0.439(14) 1 d PDU A 2
H4A_12 H 0.1350 0.6676 0.2739 0.042 Uiso 0.439(14) 1 calc PR A 2
H4B_12 H 0.1277 0.6576 0.3587 0.042 Uiso 0.439(14) 1 calc PR A 2
C5_12 C 0.0876(5) 0.5763(9) 0.2660(11) 0.036(3) Uani 0.439(14) 1 d PDU A 2
H5A_12 H 0.0486 0.6004 0.2303 0.043 Uiso 0.439(14) 1 calc PR A 2
H5B_12 H 0.0853 0.5441 0.3091 0.043 Uiso 0.439(14) 1 calc PR A 2
C6_12 C 0.1007(5) 0.5323(8) 0.2045(9) 0.038(3) Uani 0.439(14) 1 d PDU A 2
H6A_12 H 0.0700 0.4946 0.1753 0.046 Uiso 0.439(14) 1 calc PR A 2
H6B_12 H 0.0986 0.5636 0.1574 0.046 Uiso 0.439(14) 1 calc PR A 2
C1_3 C 0.3595(3) 0.3983(4) 0.1658(5) 0.0242(16) Uani 0.740(6) 1 d PDU A 1
H1_3 H 0.3940 0.3701 0.2125 0.029 Uiso 0.740(6) 1 calc PR A 1
C2_3 C 0.3135(3) 0.3437(5) 0.1042(6) 0.0298(14) Uani 0.740(6) 1 d PDU A 1
H2A_3 H 0.2772 0.3691 0.0588 0.036 Uiso 0.740(6) 1 calc PR A 1
H2B_3 H 0.3022 0.3130 0.1393 0.036 Uiso 0.740(6) 1 calc PR A 1
C3_3 C 0.3370(3) 0.2970(3) 0.0577(5) 0.040(2) Uani 0.740(6) 1 d PDU A 1
H3A_3 H 0.3686 0.2652 0.1021 0.048 Uiso 0.740(6) 1 calc PR A 1
H3B_3 H 0.3042 0.2665 0.0131 0.048 Uiso 0.740(6) 1 calc PR A 1
C4_3 C 0.3621(3) 0.3408(3) 0.0114(4) 0.044(2) Uani 0.740(6) 1 d PDU A 1
H4A_3 H 0.3293 0.3673 -0.0390 0.053 Uiso 0.740(6) 1 calc PR A 1
H4B_3 H 0.3801 0.3083 -0.0131 0.053 Uiso 0.740(6) 1 calc PR A 1
C5_3 C 0.4091(3) 0.3934(3) 0.0751(5) 0.0321(19) Uani 0.740(6) 1 d PDU A 1
H5A_3 H 0.4231 0.4229 0.0423 0.039 Uiso 0.740(6) 1 calc PR A 1
H5B_3 H 0.4438 0.3668 0.1222 0.039 Uiso 0.740(6) 1 calc PR A 1
C6_3 C 0.3837(3) 0.4419(3) 0.1178(4) 0.032(2) Uani 0.740(6) 1 d PDU A 1
H6A_3 H 0.4153 0.4745 0.1607 0.039 Uiso 0.740(6) 1 calc PR A 1
H6B_3 H 0.3512 0.4715 0.0711 0.039 Uiso 0.740(6) 1 calc PR A 1
C1_13 C 0.3544(8) 0.4041(12) 0.1521(15) 0.0242(16) Uani 0.260(6) 1 d PDU A 2
H1_13 H 0.3448 0.4401 0.1044 0.029 Uiso 0.260(6) 1 calc PR A 2
C2_13 C 0.3165(7) 0.3400(14) 0.1008(17) 0.0298(14) Uani 0.260(6) 1 d PDU A 2
H2A_13 H 0.2738 0.3532 0.0713 0.036 Uiso 0.260(6) 1 calc PR A 2
H2B_13 H 0.3238 0.3006 0.1430 0.036 Uiso 0.260(6) 1 calc PR A 2
C3_13 C 0.3303(7) 0.3142(12) 0.0308(12) 0.040(2) Uani 0.260(6) 1 d PDU A 2
H3A_13 H 0.3171 0.3508 -0.0166 0.048 Uiso 0.260(6) 1 calc PR A 2
H3B_13 H 0.3076 0.2697 0.0031 0.048 Uiso 0.260(6) 1 calc PR A 2
C4_13 C 0.3966(8) 0.2998(9) 0.0709(12) 0.048(7) Uani 0.260(6) 1 d PDU A 2
H4A_13 H 0.4086 0.2586 0.1121 0.058 Uiso 0.260(6) 1 calc PR A 2
H4B_13 H 0.4043 0.2871 0.0227 0.058 Uiso 0.260(6) 1 calc PR A 2
C5_13 C 0.4342(6) 0.3645(10) 0.1211(12) 0.0321(19) Uani 0.260(6) 1 d PDU A 2
H5A_13 H 0.4263 0.4037 0.0784 0.039 Uiso 0.260(6) 1 calc PR A 2
H5B_13 H 0.4770 0.3518 0.1503 0.039 Uiso 0.260(6) 1 calc PR A 2
C6_13 C 0.4206(7) 0.3902(9) 0.1913(10) 0.038(6) Uani 0.260(6) 1 d PDU A 2
H6A_13 H 0.4342 0.3537 0.2389 0.046 Uiso 0.260(6) 1 calc PR A 2
H6B_13 H 0.4431 0.4348 0.2187 0.046 Uiso 0.260(6) 1 calc PR A 2
C1_4 C 0.3828(2) 0.5247(3) 0.2748(4) 0.0249(13) Uani 1 1 d . A .
H1_4 H 0.3867 0.5454 0.2253 0.030 Uiso 1 1 calc R . .
C2_4 C 0.3625(3) 0.5859(3) 0.3102(4) 0.0413(16) Uani 1 1 d . . .
H2A_4 H 0.3214 0.6003 0.2644 0.050 Uiso 1 1 calc R A .
H2B_4 H 0.3619 0.5698 0.3636 0.050 Uiso 1 1 calc R . .
C3_4 C 0.4041(3) 0.6494(3) 0.3341(4) 0.0478(18) Uani 1 1 d . A .
H3A_4 H 0.3907 0.6883 0.3582 0.057 Uiso 1 1 calc R . .
H3B_4 H 0.4024 0.6675 0.2796 0.057 Uiso 1 1 calc R . .
C4_4 C 0.4686(3) 0.6293(3) 0.4032(4) 0.0473(18) Uani 1 1 d . . .
H4A_4 H 0.4950 0.6705 0.4129 0.057 Uiso 1 1 calc R A .
H4B_4 H 0.4714 0.6181 0.4605 0.057 Uiso 1 1 calc R . .
C5_4 C 0.4896(2) 0.5652(3) 0.3734(4) 0.0391(16) Uani 1 1 d . A .
H5A_4 H 0.4928 0.5787 0.3213 0.047 Uiso 1 1 calc R . .
H5B_4 H 0.5298 0.5507 0.4221 0.047 Uiso 1 1 calc R . .
C6_4 C 0.4472(2) 0.5027(3) 0.3487(4) 0.0355(14) Uani 1 1 d . . .
H6A_4 H 0.4467 0.4862 0.4021 0.043 Uiso 1 1 calc R A .
H6B_4 H 0.4611 0.4626 0.3271 0.043 Uiso 1 1 calc R . .
Cr1A Cr 0.2964(6) 0.3209(6) 0.3508(6) 0.0185(5) Uani 0.400(4) 1 d PDU A 1
C1_5 C 0.2081(8) 0.3542(11) 0.2476(9) 0.0180(12) Uani 0.400(4) 1 d PDU A 1
C2_5 C 0.2063(6) 0.3331(6) 0.3253(9) 0.0228(18) Uani 0.400(4) 1 d PDU A 1
H2_5 H 0.1955 0.3632 0.3585 0.027 Uiso 0.400(4) 1 calc PR A 1
C4_5 C 0.2342(5) 0.2346(5) 0.2778(8) 0.038(4) Uani 0.400(4) 1 d PDU A 1
H4_5 H 0.2457 0.1872 0.2738 0.046 Uiso 0.400(4) 1 calc PR A 1
C3_5 C 0.2228(5) 0.2610(6) 0.3442(7) 0.033(4) Uani 0.400(4) 1 d PDU A 1
H3_5 H 0.2259 0.2344 0.3927 0.039 Uiso 0.400(4) 1 calc PR A 1
C5_5 C 0.2253(6) 0.2909(6) 0.2194(7) 0.0209(17) Uani 0.400(4) 1 d PDU A 1
H5_5 H 0.2300 0.2879 0.1691 0.025 Uiso 0.400(4) 1 calc PR A 1
C1_6 C 0.3498(10) 0.3873(6) 0.3186(14) 0.0156(12) Uani 0.400(4) 1 d PDU A 1
C2_6 C 0.3663(5) 0.3151(6) 0.3206(6) 0.0148(17) Uani 0.400(4) 1 d PDU A 1
H2_6 H 0.3712 0.3002 0.2728 0.018 Uiso 0.400(4) 1 calc PR A 1
C3_6 C 0.3764(5) 0.2626(5) 0.3838(6) 0.023(3) Uani 0.400(4) 1 d PDU A 1
H3_6 H 0.3886 0.2175 0.3736 0.027 Uiso 0.400(4) 1 calc PR A 1
C4_6 C 0.3715(5) 0.2659(4) 0.4599(6) 0.023(3) Uani 0.400(4) 1 d PDU A 1
H4_6 H 0.3794 0.2228 0.4928 0.028 Uiso 0.400(4) 1 calc PR A 1
C5_6 C 0.3565(5) 0.3245(5) 0.4928(5) 0.022(3) Uani 0.400(4) 1 d PDU A 1
H5_6 H 0.3532 0.3163 0.5437 0.026 Uiso 0.400(4) 1 calc PR A 1
C6_6 C 0.3457(5) 0.3949(5) 0.4597(6) 0.028(4) Uani 0.400(4) 1 d PDU A 1
H6_6 H 0.3408 0.4289 0.4959 0.033 Uiso 0.400(4) 1 calc PR A 1
C7_6 C 0.3408(7) 0.4228(5) 0.3821(8) 0.0187(14) Uani 0.400(4) 1 d PDU A 1
H7_6 H 0.3301 0.4719 0.3707 0.022 Uiso 0.400(4) 1 calc PR A 1
Cr1B Cr 0.2939(4) 0.3183(4) 0.3381(4) 0.0185(5) Uani 0.600(4) 1 d PDU A 2
C1_15 C 0.3487(7) 0.3968(5) 0.3223(11) 0.0156(12) Uani 0.600(4) 1 d PDU A 2
C2_15 C 0.3785(3) 0.3286(4) 0.3451(5) 0.0148(17) Uani 0.600(4) 1 d PDU A 2
H2_15 H 0.3886 0.3019 0.3085 0.018 Uiso 0.600(4) 1 calc PR A 2
C3_15 C 0.3679(3) 0.3620(4) 0.4619(4) 0.022(2) Uani 0.600(4) 1 d PDU A 2
H3_15 H 0.3694 0.3616 0.5173 0.027 Uiso 0.600(4) 1 calc PR A 2
C4_15 C 0.3902(3) 0.3075(4) 0.4294(5) 0.023(2) Uani 0.600(4) 1 d PDU A 2
H4_15 H 0.4096 0.2647 0.4596 0.028 Uiso 0.600(4) 1 calc PR A 2
C5_15 C 0.3434(5) 0.4163(4) 0.3977(6) 0.0187(14) Uani 0.600(4) 1 d PDU A 2
H5_15 H 0.3260 0.4592 0.4029 0.022 Uiso 0.600(4) 1 calc PR A 2
C1_16 C 0.2065(6) 0.3581(9) 0.2467(6) 0.0180(12) Uani 0.600(4) 1 d PDU A 2
C2_16 C 0.2126(4) 0.3509(4) 0.3315(7) 0.0228(18) Uani 0.600(4) 1 d PDU A 2
H2_16 H 0.1979 0.3896 0.3499 0.027 Uiso 0.600(4) 1 calc PR A 2
C3_16 C 0.2375(3) 0.2941(4) 0.3917(5) 0.024(2) Uani 0.600(4) 1 d PDU A 2
H3_16 H 0.2372 0.2999 0.4454 0.029 Uiso 0.600(4) 1 calc PR A 2
C4_16 C 0.2628(3) 0.2299(4) 0.3852(4) 0.028(2) Uani 0.600(4) 1 d PDU A 2
H4_16 H 0.2777 0.1988 0.4351 0.034 Uiso 0.600(4) 1 calc PR A 2
C5_16 C 0.2688(3) 0.2063(3) 0.3152(5) 0.026(2) Uani 0.600(4) 1 d PDU A 2
H5_16 H 0.2879 0.1613 0.3233 0.031 Uiso 0.600(4) 1 calc PR A 2
C6_16 C 0.2500(3) 0.2408(4) 0.2338(4) 0.024(2) Uani 0.600(4) 1 d PDU A 2
H6_16 H 0.2566 0.2147 0.1931 0.029 Uiso 0.600(4) 1 calc PR A 2
C7_16 C 0.2231(4) 0.3077(4) 0.2030(5) 0.0209(17) Uani 0.600(4) 1 d PDU A 2
H7_16 H 0.2149 0.3209 0.1453 0.025 Uiso 0.600(4) 1 calc PR A 2
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'
Cr Cr 0.3209 0.6236 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
P1 Pt1 P2 104.02(5)
P1 Pt1 Cl2 170.21(5)
P2 Pt1 Cl2 85.78(5)
P1 Pt1 Cl1 85.81(5)
P2 Pt1 Cl1 170.02(5)
Cl2 Pt1 Cl1 84.40(5)
C1_16 P1 Pt1 120.7(4)
C1_2 P1 Pt1 114.6(4)
C1_1 P1 Pt1 111.18(18)
C1_5 P1 Pt1 119.8(6)
C1_12 P1 Pt1 113.6(5)
C1_15 P2 Pt1 121.6(4)
C1_4 P2 Pt1 108.75(16)
C1_6 P2 Pt1 123.5(6)
C1_3 P2 Pt1 114.8(3)
C1_13 P2 Pt1 108.7(7)
C6_1 C1_1 C2_1 110.2(5)
C6_1 C1_1 P1 113.8(3)
C2_1 C1_1 P1 113.6(4)
C6_1 C1_1 H1_1 106.2
C2_1 C1_1 H1_1 106.2
P1 C1_1 H1_1 106.2
C3_1 C2_1 C1_1 110.7(5)
C3_1 C2_1 H2A_1 109.5
C1_1 C2_1 H2A_1 109.5
C3_1 C2_1 H2B_1 109.5
C1_1 C2_1 H2B_1 109.5
H2A_1 C2_1 H2B_1 108.1
C2_1 C3_1 C4_1 111.0(5)
C2_1 C3_1 H3A_1 109.4
C4_1 C3_1 H3A_1 109.4
C2_1 C3_1 H3B_1 109.4
C4_1 C3_1 H3B_1 109.4
H3A_1 C3_1 H3B_1 108.0
C3_1 C4_1 C5_1 111.4(5)
C3_1 C4_1 H4A_1 109.3
C5_1 C4_1 H4A_1 109.3
C3_1 C4_1 H4B_1 109.3
C5_1 C4_1 H4B_1 109.3
H4A_1 C4_1 H4B_1 108.0
C6_1 C5_1 C4_1 110.6(5)
C6_1 C5_1 H5A_1 109.5
C4_1 C5_1 H5A_1 109.5
C6_1 C5_1 H5B_1 109.5
C4_1 C5_1 H5B_1 109.5
H5A_1 C5_1 H5B_1 108.1
C1_1 C6_1 C5_1 110.1(4)
C1_1 C6_1 H6A_1 109.6
C5_1 C6_1 H6A_1 109.6
C1_1 C6_1 H6B_1 109.6
C5_1 C6_1 H6B_1 109.6
H6A_1 C6_1 H6B_1 108.2
C6_2 C1_2 C2_2 111.2(4)
C6_2 C1_2 P1 117.4(7)
C2_2 C1_2 P1 110.3(7)
C6_2 C1_2 H1_2 105.7
C2_2 C1_2 H1_2 105.7
P1 C1_2 H1_2 105.7
C1_2 C2_2 C3_2 111.2(4)
C1_2 C2_2 H2A_2 109.4
C3_2 C2_2 H2A_2 109.4
C1_2 C2_2 H2B_2 109.4
C3_2 C2_2 H2B_2 109.4
H2A_2 C2_2 H2B_2 108.0
C4_2 C3_2 C2_2 111.4(4)
C4_2 C3_2 H3A_2 109.3
C2_2 C3_2 H3A_2 109.3
C4_2 C3_2 H3B_2 109.3
C2_2 C3_2 H3B_2 109.3
H3A_2 C3_2 H3B_2 108.0
C3_2 C4_2 C5_2 111.5(4)
C3_2 C4_2 H4A_2 109.3
C5_2 C4_2 H4A_2 109.3
C3_2 C4_2 H4B_2 109.3
C5_2 C4_2 H4B_2 109.3
H4A_2 C4_2 H4B_2 108.0
C4_2 C5_2 C6_2 111.5(4)
C4_2 C5_2 H5A_2 109.3
C6_2 C5_2 H5A_2 109.3
C4_2 C5_2 H5B_2 109.3
C6_2 C5_2 H5B_2 109.3
H5A_2 C5_2 H5B_2 108.0
C1_2 C6_2 C5_2 111.6(4)
C1_2 C6_2 H6A_2 109.3
C5_2 C6_2 H6A_2 109.3
C1_2 C6_2 H6B_2 109.3
C5_2 C6_2 H6B_2 109.3
H6A_2 C6_2 H6B_2 108.0
C2_12 C1_12 C6_12 111.8(5)
C2_12 C1_12 P1 111.6(8)
C6_12 C1_12 P1 113.8(9)
C2_12 C1_12 H1_12 106.4
C6_12 C1_12 H1_12 106.4
P1 C1_12 H1_12 106.4
C3_12 C2_12 C1_12 112.3(5)
C3_12 C2_12 H2A_12 109.1
C1_12 C2_12 H2A_12 109.1
C3_12 C2_12 H2B_12 109.1
C1_12 C2_12 H2B_12 109.1
H2A_12 C2_12 H2B_12 107.9
C4_12 C3_12 C2_12 112.2(5)
C4_12 C3_12 H3A_12 109.2
C2_12 C3_12 H3A_12 109.2
C4_12 C3_12 H3B_12 109.2
C2_12 C3_12 H3B_12 109.2
H3A_12 C3_12 H3B_12 107.9
C3_12 C4_12 C5_12 111.6(5)
C3_12 C4_12 H4A_12 109.3
C5_12 C4_12 H4A_12 109.3
C3_12 C4_12 H4B_12 109.3
C5_12 C4_12 H4B_12 109.3
H4A_12 C4_12 H4B_12 108.0
C4_12 C5_12 C6_12 111.1(5)
C4_12 C5_12 H5A_12 109.4
C6_12 C5_12 H5A_12 109.4
C4_12 C5_12 H5B_12 109.4
C6_12 C5_12 H5B_12 109.4
H5A_12 C5_12 H5B_12 108.0
C1_12 C6_12 C5_12 111.4(5)
C1_12 C6_12 H6A_12 109.3
C5_12 C6_12 H6A_12 109.3
C1_12 C6_12 H6B_12 109.3
C5_12 C6_12 H6B_12 109.3
H6A_12 C6_12 H6B_12 108.0
C2_3 C1_3 C6_3 111.7(4)
C2_3 C1_3 P2 110.1(4)
C6_3 C1_3 P2 116.1(5)
C2_3 C1_3 H1_3 106.1
C6_3 C1_3 H1_3 106.1
P2 C1_3 H1_3 106.1
C1_3 C2_3 C3_3 112.0(4)
C1_3 C2_3 H2A_3 109.2
C3_3 C2_3 H2A_3 109.2
C1_3 C2_3 H2B_3 109.2
C3_3 C2_3 H2B_3 109.2
H2A_3 C2_3 H2B_3 107.9
C4_3 C3_3 C2_3 112.3(4)
C4_3 C3_3 H3A_3 109.1
C2_3 C3_3 H3A_3 109.1
C4_3 C3_3 H3B_3 109.1
C2_3 C3_3 H3B_3 109.1
H3A_3 C3_3 H3B_3 107.9
C3_3 C4_3 C5_3 111.5(4)
C3_3 C4_3 H4A_3 109.3
C5_3 C4_3 H4A_3 109.3
C3_3 C4_3 H4B_3 109.3
C5_3 C4_3 H4B_3 109.3
H4A_3 C4_3 H4B_3 108.0
C4_3 C5_3 C6_3 110.6(4)
C4_3 C5_3 H5A_3 109.5
C6_3 C5_3 H5A_3 109.5
C4_3 C5_3 H5B_3 109.5
C6_3 C5_3 H5B_3 109.5
H5A_3 C5_3 H5B_3 108.1
C1_3 C6_3 C5_3 111.1(4)
C1_3 C6_3 H6A_3 109.4
C5_3 C6_3 H6A_3 109.4
C1_3 C6_3 H6B_3 109.4
C5_3 C6_3 H6B_3 109.4
H6A_3 C6_3 H6B_3 108.0
C6_13 C1_13 C2_13 112.2(5)
C6_13 C1_13 P2 118.1(12)
C2_13 C1_13 P2 114.3(11)
C6_13 C1_13 H1_13 103.3
C2_13 C1_13 H1_13 103.3
P2 C1_13 H1_13 103.3
C1_13 C2_13 C3_13 111.9(5)
C1_13 C2_13 H2A_13 109.2
C3_13 C2_13 H2A_13 109.2
C1_13 C2_13 H2B_13 109.2
C3_13 C2_13 H2B_13 109.2
H2A_13 C2_13 H2B_13 107.9
C2_13 C3_13 C4_13 111.7(5)
C2_13 C3_13 H3A_13 109.3
C4_13 C3_13 H3A_13 109.3
C2_13 C3_13 H3B_13 109.3
C4_13 C3_13 H3B_13 109.3
H3A_13 C3_13 H3B_13 107.9
C5_13 C4_13 C3_13 111.7(5)
C5_13 C4_13 H4A_13 109.3
C3_13 C4_13 H4A_13 109.3
C5_13 C4_13 H4B_13 109.3
C3_13 C4_13 H4B_13 109.3
H4A_13 C4_13 H4B_13 107.9
C4_13 C5_13 C6_13 111.7(5)
C4_13 C5_13 H5A_13 109.3
C6_13 C5_13 H5A_13 109.3
C4_13 C5_13 H5B_13 109.3
C6_13 C5_13 H5B_13 109.3
H5A_13 C5_13 H5B_13 107.9
C1_13 C6_13 C5_13 111.9(5)
C1_13 C6_13 H6A_13 109.2
C5_13 C6_13 H6A_13 109.2
C1_13 C6_13 H6B_13 109.2
C5_13 C6_13 H6B_13 109.2
H6A_13 C6_13 H6B_13 107.9
C2_4 C1_4 C6_4 108.3(5)
C2_4 C1_4 P2 115.3(4)
C6_4 C1_4 P2 114.8(3)
C2_4 C1_4 H1_4 105.9
C6_4 C1_4 H1_4 105.9
P2 C1_4 H1_4 105.9
C3_4 C2_4 C1_4 110.4(5)
C3_4 C2_4 H2A_4 109.6
C1_4 C2_4 H2A_4 109.6
C3_4 C2_4 H2B_4 109.6
C1_4 C2_4 H2B_4 109.6
H2A_4 C2_4 H2B_4 108.1
C2_4 C3_4 C4_4 111.5(5)
C2_4 C3_4 H3A_4 109.3
C4_4 C3_4 H3A_4 109.3
C2_4 C3_4 H3B_4 109.3
C4_4 C3_4 H3B_4 109.3
H3A_4 C3_4 H3B_4 108.0
C5_4 C4_4 C3_4 111.6(5)
C5_4 C4_4 H4A_4 109.3
C3_4 C4_4 H4A_4 109.3
C5_4 C4_4 H4B_4 109.3
C3_4 C4_4 H4B_4 109.3
H4A_4 C4_4 H4B_4 108.0
C6_4 C5_4 C4_4 111.4(5)
C6_4 C5_4 H5A_4 109.3
C4_4 C5_4 H5A_4 109.3
C6_4 C5_4 H5B_4 109.3
C4_4 C5_4 H5B_4 109.3
H5A_4 C5_4 H5B_4 108.0
C5_4 C6_4 C1_4 110.7(4)
C5_4 C6_4 H6A_4 109.5
C1_4 C6_4 H6A_4 109.5
C5_4 C6_4 H6B_4 109.5
C1_4 C6_4 H6B_4 109.5
H6A_4 C6_4 H6B_4 108.1
C1_6 Cr1A C7_6 38.4(4)
C1_6 Cr1A C5_6 95.6(8)
C7_6 Cr1A C5_6 72.5(5)
C1_6 Cr1A C2_6 38.4(3)
C7_6 Cr1A C2_6 72.0(6)
C5_6 Cr1A C2_6 94.4(6)
C1_6 Cr1A C3_6 72.0(6)
C7_6 Cr1A C3_6 93.2(7)
C5_6 Cr1A C3_6 71.0(4)
C2_6 Cr1A C3_6 37.8(3)
C1_6 Cr1A C6_6 71.9(6)
C7_6 Cr1A C6_6 37.8(3)
C5_6 Cr1A C6_6 38.0(3)
C2_6 Cr1A C6_6 93.0(7)
C3_6 Cr1A C6_6 91.8(6)
C5_5 Cr1A C1_5 38.9(4)
C1_6 Cr1A C4_6 95.1(8)
C7_6 Cr1A C4_6 94.0(7)
C5_6 Cr1A C4_6 37.4(3)
C2_6 Cr1A C4_6 72.1(5)
C3_6 Cr1A C4_6 37.9(3)
C6_6 Cr1A C4_6 70.6(4)
C5_5 Cr1A C2_5 63.9(6)
C1_5 Cr1A C2_5 38.8(4)
C5_5 Cr1A C3_5 63.8(5)
C1_5 Cr1A C3_5 64.6(7)
C2_5 Cr1A C3_5 37.6(3)
C5_5 Cr1A C4_5 37.7(3)
C1_5 Cr1A C4_5 64.6(7)
C2_5 Cr1A C4_5 63.5(5)
C3_5 Cr1A C4_5 38.3(4)
C2_5 C1_5 C5_5 105.4(12)
C2_5 C1_5 P1 128.1(9)
C5_5 C1_5 P1 125.6(9)
C2_5 C1_5 Cr1A 70.8(6)
C5_5 C1_5 Cr1A 70.3(6)
P1 C1_5 Cr1A 131.6(13)
C3_5 C2_5 C1_5 109.4(8)
C3_5 C2_5 Cr1A 71.4(6)
C1_5 C2_5 Cr1A 70.4(6)
C3_5 C2_5 H2_5 125.3
C1_5 C2_5 H2_5 125.3
Cr1A C2_5 H2_5 124.5
C5_5 C4_5 C3_5 107.9(5)
C5_5 C4_5 Cr1A 70.4(6)
C3_5 C4_5 Cr1A 70.8(5)
C5_5 C4_5 H4_5 126.0
C3_5 C4_5 H4_5 126.0
Cr1A C4_5 H4_5 124.4
C2_5 C3_5 C4_5 107.9(5)
C2_5 C3_5 Cr1A 71.0(6)
C4_5 C3_5 Cr1A 70.9(5)
C2_5 C3_5 H3_5 126.0
C4_5 C3_5 H3_5 126.0
Cr1A C3_5 H3_5 123.7
C4_5 C5_5 C1_5 109.4(8)
C4_5 C5_5 Cr1A 71.9(6)
C1_5 C5_5 Cr1A 70.8(7)
C4_5 C5_5 H5_5 125.3
C1_5 C5_5 H5_5 125.3
Cr1A C5_5 H5_5 123.6
C2_6 C1_6 C7_6 126.9(12)
C2_6 C1_6 P2 124.8(9)
C7_6 C1_6 P2 108.1(8)
C2_6 C1_6 Cr1A 70.9(6)
C7_6 C1_6 Cr1A 70.8(6)
P2 C1_6 Cr1A 132.2(13)
C3_6 C2_6 C1_6 128.4(8)
C3_6 C2_6 Cr1A 71.3(5)
C1_6 C2_6 Cr1A 70.7(6)
C3_6 C2_6 H2_6 115.8
C1_6 C2_6 H2_6 115.8
Cr1A C2_6 H2_6 138.3
C2_6 C3_6 C4_6 130.4(6)
C2_6 C3_6 Cr1A 70.9(5)
C4_6 C3_6 Cr1A 71.5(5)
C2_6 C3_6 H3_6 114.8
C4_6 C3_6 H3_6 114.8
Cr1A C3_6 H3_6 140.3
C5_6 C4_6 C3_6 127.8(4)
C5_6 C4_6 Cr1A 70.7(5)
C3_6 C4_6 Cr1A 70.7(5)
C5_6 C4_6 H4_6 116.1
C3_6 C4_6 H4_6 116.1
Cr1A C4_6 H4_6 138.8
C4_6 C5_6 C6_6 127.6(4)
C4_6 C5_6 Cr1A 71.9(5)
C6_6 C5_6 Cr1A 71.4(5)
C4_6 C5_6 H5_6 116.2
C6_6 C5_6 H5_6 116.2
Cr1A C5_6 H5_6 135.4
C7_6 C6_6 C5_6 130.3(6)
C7_6 C6_6 Cr1A 70.6(6)
C5_6 C6_6 Cr1A 70.6(5)
C7_6 C6_6 H6_6 114.8
C5_6 C6_6 H6_6 114.8
Cr1A C6_6 H6_6 142.3
C6_6 C7_6 C1_6 128.3(8)
C6_6 C7_6 Cr1A 71.6(5)
C1_6 C7_6 Cr1A 70.8(6)
C6_6 C7_6 H7_6 115.9
C1_6 C7_6 H7_6 115.9
Cr1A C7_6 H7_6 137.8
C7_16 Cr1B C1_16 38.7(3)
C7_16 Cr1B C6_16 38.2(3)
C1_16 Cr1B C6_16 72.6(5)
C7_16 Cr1B C2_16 72.4(5)
C1_16 Cr1B C2_16 38.5(3)
C6_16 Cr1B C2_16 93.7(5)
C7_16 Cr1B C3_16 93.7(5)
C1_16 Cr1B C3_16 72.1(5)
C6_16 Cr1B C3_16 92.4(5)
C2_16 Cr1B C3_16 37.8(3)
C2_15 Cr1B C1_15 38.9(3)
C7_16 Cr1B C5_16 72.4(4)
C1_16 Cr1B C5_16 95.3(6)
C6_16 Cr1B C5_16 38.0(2)
C2_16 Cr1B C5_16 93.8(5)
C3_16 Cr1B C5_16 70.7(4)
C2_15 Cr1B C5_15 63.8(5)
C1_15 Cr1B C5_15 38.8(3)
C7_16 Cr1B C4_16 93.9(5)
C1_16 Cr1B C4_16 94.8(6)
C6_16 Cr1B C4_16 70.7(4)
C2_16 Cr1B C4_16 71.7(4)
C3_16 Cr1B C4_16 37.7(2)
C5_16 Cr1B C4_16 37.1(3)
C2_15 Cr1B C3_15 63.5(4)
C1_15 Cr1B C3_15 64.4(5)
C5_15 Cr1B C3_15 37.5(3)
C2_15 Cr1B C4_15 37.5(3)
C1_15 Cr1B C4_15 64.4(5)
C5_15 Cr1B C4_15 63.3(4)
C3_15 Cr1B C4_15 38.1(3)
C2_15 C1_15 C5_15 105.2(11)
C2_15 C1_15 P2 126.6(6)
C5_15 C1_15 P2 127.8(7)
C2_15 C1_15 Cr1B 70.3(5)
C5_15 C1_15 Cr1B 71.0(5)
P2 C1_15 Cr1B 128.1(9)
C4_15 C2_15 C1_15 109.6(7)
C4_15 C2_15 Cr1B 72.5(4)
C1_15 C2_15 Cr1B 70.8(5)
C4_15 C2_15 H2_15 125.2
C1_15 C2_15 H2_15 125.2
Cr1B C2_15 H2_15 123.1
C5_15 C3_15 C4_15 107.9(5)
C5_15 C3_15 Cr1B 70.7(4)
C4_15 C3_15 Cr1B 70.9(4)
C5_15 C3_15 H3_15 126.0
C4_15 C3_15 H3_15 126.0
Cr1B C3_15 H3_15 124.0
C2_15 C4_15 C3_15 107.8(4)
C2_15 C4_15 Cr1B 70.0(4)
C3_15 C4_15 Cr1B 70.9(4)
C2_15 C4_15 H4_15 126.1
C3_15 C4_15 H4_15 126.1
Cr1B C4_15 H4_15 124.6
C3_15 C5_15 C1_15 109.4(7)
C3_15 C5_15 Cr1B 71.8(4)
C1_15 C5_15 Cr1B 70.2(5)
C3_15 C5_15 H5_15 125.3
C1_15 C5_15 H5_15 125.3
Cr1B C5_15 H5_15 124.2
C2_16 C1_16 C7_16 127.0(11)
C2_16 C1_16 P1 122.4(7)
C7_16 C1_16 P1 110.4(7)
C2_16 C1_16 Cr1B 71.4(5)
C7_16 C1_16 Cr1B 70.5(5)
P1 C1_16 Cr1B 132.5(10)
C3_16 C2_16 C1_16 128.4(7)
C3_16 C2_16 Cr1B 71.4(4)
C1_16 C2_16 Cr1B 70.1(5)
C3_16 C2_16 H2_16 115.8
C1_16 C2_16 H2_16 115.8
Cr1B C2_16 H2_16 139.1
C2_16 C3_16 C4_16 130.2(6)
C2_16 C3_16 Cr1B 70.8(4)
C4_16 C3_16 Cr1B 71.9(4)
C2_16 C3_16 H3_16 114.9
C4_16 C3_16 H3_16 114.9
Cr1B C3_16 H3_16 139.4
C5_16 C4_16 C3_16 128.1(4)
C5_16 C4_16 Cr1B 71.0(4)
C3_16 C4_16 Cr1B 70.4(4)
C5_16 C4_16 H4_16 115.9
C3_16 C4_16 H4_16 115.9
Cr1B C4_16 H4_16 139.0
C4_16 C5_16 C6_16 127.7(4)
C4_16 C5_16 Cr1B 71.9(4)
C6_16 C5_16 Cr1B 70.0(4)
C4_16 C5_16 H5_16 116.2
C6_16 C5_16 H5_16 116.2
Cr1B C5_16 H5_16 137.8
C7_16 C6_16 C5_16 130.3(5)
C7_16 C6_16 Cr1B 70.5(4)
C5_16 C6_16 Cr1B 72.1(4)
C7_16 C6_16 H6_16 114.9
C5_16 C6_16 H6_16 114.9
Cr1B C6_16 H6_16 139.7
C6_16 C7_16 C1_16 128.3(7)
C6_16 C7_16 Cr1B 71.3(4)
C1_16 C7_16 Cr1B 70.8(5)
C6_16 C7_16 H7_16 115.8
C1_16 C7_16 H7_16 115.8
Cr1B C7_16 H7_16 138.2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt1 P1 2.2678(14)
Pt1 P2 2.2814(13)
Pt1 Cl2 2.3578(15)
Pt1 Cl1 2.3586(13)
P1 C1_16 1.790(14)
P1 C1_2 1.811(10)
P1 C1_1 1.856(5)
P1 C1_5 1.861(17)
P1 C1_12 1.920(13)
P2 C1_15 1.805(14)
P2 C1_4 1.835(5)
P2 C1_6 1.854(17)
P2 C1_3 1.855(6)
P2 C1_13 1.906(14)
C1_1 C6_1 1.510(7)
C1_1 C2_1 1.533(7)
C1_1 H1_1 1.0000
C2_1 C3_1 1.508(7)
C2_1 H2A_1 0.9900
C2_1 H2B_1 0.9900
C3_1 C4_1 1.513(8)
C3_1 H3A_1 0.9900
C3_1 H3B_1 0.9900
C4_1 C5_1 1.543(8)
C4_1 H4A_1 0.9900
C4_1 H4B_1 0.9900
C5_1 C6_1 1.522(7)
C5_1 H5A_1 0.9900
C5_1 H5B_1 0.9900
C6_1 H6A_1 0.9900
C6_1 H6B_1 0.9900
C1_2 C6_2 1.522(5)
C1_2 C2_2 1.526(5)
C1_2 H1_2 1.0000
C2_2 C3_2 1.527(5)
C2_2 H2A_2 0.9900
C2_2 H2B_2 0.9900
C3_2 C4_2 1.517(5)
C3_2 H3A_2 0.9900
C3_2 H3B_2 0.9900
C4_2 C5_2 1.520(5)
C4_2 H4A_2 0.9900
C4_2 H4B_2 0.9900
C5_2 C6_2 1.526(5)
C5_2 H5A_2 0.9900
C5_2 H5B_2 0.9900
C6_2 H6A_2 0.9900
C6_2 H6B_2 0.9900
C1_12 C2_12 1.520(5)
C1_12 C6_12 1.521(5)
C1_12 H1_12 1.0000
C2_12 C3_12 1.520(5)
C2_12 H2A_12 0.9900
C2_12 H2B_12 0.9900
C3_12 C4_12 1.516(5)
C3_12 H3A_12 0.9900
C3_12 H3B_12 0.9900
C4_12 C5_12 1.521(5)
C4_12 H4A_12 0.9900
C4_12 H4B_12 0.9900
C5_12 C6_12 1.527(5)
C5_12 H5A_12 0.9900
C5_12 H5B_12 0.9900
C6_12 H6A_12 0.9900
C6_12 H6B_12 0.9900
C1_3 C2_3 1.521(4)
C1_3 C6_3 1.524(4)
C1_3 H1_3 1.0000
C2_3 C3_3 1.522(4)
C2_3 H2A_3 0.9900
C2_3 H2B_3 0.9900
C3_3 C4_3 1.519(4)
C3_3 H3A_3 0.9900
C3_3 H3B_3 0.9900
C4_3 C5_3 1.521(4)
C4_3 H4A_3 0.9900
C4_3 H4B_3 0.9900
C5_3 C6_3 1.528(4)
C5_3 H5A_3 0.9900
C5_3 H5B_3 0.9900
C6_3 H6A_3 0.9900
C6_3 H6B_3 0.9900
C1_13 C6_13 1.519(5)
C1_13 C2_13 1.519(5)
C1_13 H1_13 1.0000
C2_13 C3_13 1.523(5)
C2_13 H2A_13 0.9900
C2_13 H2B_13 0.9900
C3_13 C4_13 1.523(5)
C3_13 H3A_13 0.9900
C3_13 H3B_13 0.9900
C4_13 C5_13 1.520(5)
C4_13 H4A_13 0.9900
C4_13 H4B_13 0.9900
C5_13 C6_13 1.522(5)
C5_13 H5A_13 0.9900
C5_13 H5B_13 0.9900
C6_13 H6A_13 0.9900
C6_13 H6B_13 0.9900
C1_4 C2_4 1.522(7)
C1_4 C6_4 1.559(6)
C1_4 H1_4 1.0000
C2_4 C3_4 1.518(7)
C2_4 H2A_4 0.9900
C2_4 H2B_4 0.9900
C3_4 C4_4 1.531(8)
C3_4 H3A_4 0.9900
C3_4 H3B_4 0.9900
C4_4 C5_4 1.517(8)
C4_4 H4A_4 0.9900
C4_4 H4B_4 0.9900
C5_4 C6_4 1.513(7)
C5_4 H5A_4 0.9900
C5_4 H5B_4 0.9900
C6_4 H6A_4 0.9900
C6_4 H6B_4 0.9900
Cr1A C1_6 2.150(15)
Cr1A C7_6 2.151(15)
Cr1A C5_6 2.152(12)
Cr1A C2_6 2.152(14)
Cr1A C3_6 2.158(13)
Cr1A C5_5 2.158(15)
Cr1A C6_6 2.163(13)
Cr1A C1_5 2.165(17)
Cr1A C4_6 2.168(12)
Cr1A C2_5 2.171(16)
Cr1A C3_5 2.176(16)
Cr1A C4_5 2.177(15)
C1_5 C2_5 1.440(12)
C1_5 C5_5 1.441(12)
C2_5 C3_5 1.401(9)
C2_5 H2_5 0.9500
C4_5 C5_5 1.401(9)
C4_5 C3_5 1.429(11)
C4_5 H4_5 0.9500
C3_5 H3_5 0.9500
C5_5 H5_5 0.9500
C1_6 C2_6 1.413(10)
C1_6 C7_6 1.415(10)
C2_6 C3_6 1.398(9)
C2_6 H2_6 0.9500
C3_6 C4_6 1.404(7)
C3_6 H3_6 0.9500
C4_6 C5_6 1.384(10)
C4_6 H4_6 0.9500
C5_6 C6_6 1.406(7)
C5_6 H5_6 0.9500
C6_6 C7_6 1.399(9)
C6_6 H6_6 0.9500
C7_6 H7_6 0.9500
Cr1B C7_16 2.134(10)
Cr1B C1_16 2.138(12)
Cr1B C6_16 2.144(10)
Cr1B C2_16 2.155(10)
Cr1B C2_15 2.157(11)
Cr1B C3_16 2.163(10)
Cr1B C1_15 2.164(12)
Cr1B C5_16 2.171(10)
Cr1B C5_15 2.173(12)
Cr1B C4_16 2.182(10)
Cr1B C3_15 2.188(11)
Cr1B C4_15 2.189(11)
C1_15 C2_15 1.440(11)
C1_15 C5_15 1.441(11)
C2_15 C4_15 1.399(8)
C2_15 H2_15 0.9500
C3_15 C5_15 1.401(8)
C3_15 C4_15 1.430(10)
C3_15 H3_15 0.9500
C4_15 H4_15 0.9500
C5_15 H5_15 0.9500
C1_16 C2_16 1.415(9)
C1_16 C7_16 1.416(9)
C2_16 C3_16 1.397(8)
C2_16 H2_16 0.9500
C3_16 C4_16 1.403(7)
C3_16 H3_16 0.9500
C4_16 C5_16 1.385(10)
C4_16 H4_16 0.9500
C5_16 C6_16 1.404(7)
C5_16 H5_16 0.9500
C6_16 C7_16 1.399(8)
C6_16 H6_16 0.9500
C7_16 H7_16 0.9500
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
P2 Pt1 P1 C1_16 -18.4(4)
Cl1 Pt1 P1 C1_16 163.3(4)
P2 Pt1 P1 C1_2 107.7(4)
Cl1 Pt1 P1 C1_2 -70.6(4)
P2 Pt1 P1 C1_1 -137.22(19)
Cl1 Pt1 P1 C1_1 44.50(19)
P2 Pt1 P1 C1_5 -19.4(6)
Cl1 Pt1 P1 C1_5 162.3(6)
P2 Pt1 P1 C1_12 103.7(5)
Cl1 Pt1 P1 C1_12 -74.6(5)
P1 Pt1 P2 C1_15 -11.2(4)
Cl2 Pt1 P2 C1_15 168.8(4)
P1 Pt1 P2 C1_4 -128.6(2)
Cl2 Pt1 P2 C1_4 51.4(2)
P1 Pt1 P2 C1_6 -4.5(5)
Cl2 Pt1 P2 C1_6 175.5(5)
P1 Pt1 P2 C1_3 116.1(2)
Cl2 Pt1 P2 C1_3 -63.9(2)
P1 Pt1 P2 C1_13 119.7(7)
Cl2 Pt1 P2 C1_13 -60.3(7)
Pt1 P1 C1_1 C6_1 47.3(4)
Pt1 P1 C1_1 C2_1 174.6(3)
C6_1 C1_1 C2_1 C3_1 -58.9(6)
P1 C1_1 C2_1 C3_1 172.0(4)
C1_1 C2_1 C3_1 C4_1 56.6(7)
C2_1 C3_1 C4_1 C5_1 -54.8(7)
C3_1 C4_1 C5_1 C6_1 55.0(8)
C2_1 C1_1 C6_1 C5_1 58.9(6)
P1 C1_1 C6_1 C5_1 -172.1(4)
C4_1 C5_1 C6_1 C1_1 -57.0(7)
Pt1 P1 C1_2 C6_2 69.6(9)
Pt1 P1 C1_2 C2_2 -59.2(9)
C6_2 C1_2 C2_2 C3_2 55.0(9)
P1 C1_2 C2_2 C3_2 -173.0(8)
C1_2 C2_2 C3_2 C4_2 -55.4(9)
C2_2 C3_2 C4_2 C5_2 55.2(9)
C3_2 C4_2 C5_2 C6_2 -54.7(9)
C2_2 C1_2 C6_2 C5_2 -54.6(9)
P1 C1_2 C6_2 C5_2 177.1(8)
C4_2 C5_2 C6_2 C1_2 54.5(9)
Pt1 P1 C1_12 C2_12 -30.3(11)
Pt1 P1 C1_12 C6_12 97.3(10)
C6_12 C1_12 C2_12 C3_12 52.5(11)
P1 C1_12 C2_12 C3_12 -178.7(10)
C1_12 C2_12 C3_12 C4_12 -52.3(11)
C2_12 C3_12 C4_12 C5_12 53.7(11)
C3_12 C4_12 C5_12 C6_12 -55.3(10)
C2_12 C1_12 C6_12 C5_12 -54.3(10)
P1 C1_12 C6_12 C5_12 178.2(10)
C4_12 C5_12 C6_12 C1_12 55.6(10)
Pt1 P2 C1_3 C2_3 -49.2(5)
Pt1 P2 C1_3 C6_3 78.9(5)
C6_3 C1_3 C2_3 C3_3 52.7(8)
P2 C1_3 C2_3 C3_3 -176.8(6)
C1_3 C2_3 C3_3 C4_3 -52.1(9)
C2_3 C3_3 C4_3 C5_3 53.9(8)
C3_3 C4_3 C5_3 C6_3 -56.1(7)
C2_3 C1_3 C6_3 C5_3 -55.3(7)
P2 C1_3 C6_3 C5_3 177.4(5)
C4_3 C5_3 C6_3 C1_3 56.9(7)
Pt1 P2 C1_13 C6_13 161.4(12)
Pt1 P2 C1_13 C2_13 -63.4(12)
C6_13 C1_13 C2_13 C3_13 -53.0(12)
P2 C1_13 C2_13 C3_13 169.2(16)
C1_13 C2_13 C3_13 C4_13 53.5(12)
C2_13 C3_13 C4_13 C5_13 -54.2(11)
C3_13 C4_13 C5_13 C6_13 54.4(11)
C2_13 C1_13 C6_13 C5_13 53.2(12)
P2 C1_13 C6_13 C5_13 -170.8(15)
C4_13 C5_13 C6_13 C1_13 -53.8(11)
Pt1 P2 C1_4 C2_4 44.1(5)
Pt1 P2 C1_4 C6_4 171.0(3)
C6_4 C1_4 C2_4 C3_4 59.9(6)
P2 C1_4 C2_4 C3_4 -170.0(4)
C1_4 C2_4 C3_4 C4_4 -57.8(7)
C2_4 C3_4 C4_4 C5_4 53.7(7)
C3_4 C4_4 C5_4 C6_4 -53.3(7)
C4_4 C5_4 C6_4 C1_4 56.7(7)
C2_4 C1_4 C6_4 C5_4 -59.6(6)
P2 C1_4 C6_4 C5_4 170.0(4)
Pt1 P1 C1_5 C2_5 137.3(15)
Pt1 P1 C1_5 C5_5 -55.2(19)
Pt1 P1 C1_5 Cr1A 39.4(10)
C5_5 Cr1A C1_5 C2_5 115.1(14)
C3_5 Cr1A C1_5 C2_5 36.1(7)
C4_5 Cr1A C1_5 C2_5 78.7(8)
C2_5 Cr1A C1_5 C5_5 -115.1(14)
C3_5 Cr1A C1_5 C5_5 -79.0(8)
C4_5 Cr1A C1_5 C5_5 -36.4(7)
C5_5 Cr1A C1_5 P1 -120.6(12)
C2_5 Cr1A C1_5 P1 124.4(12)
C3_5 Cr1A C1_5 P1 160.4(10)
C4_5 Cr1A C1_5 P1 -157.0(10)
C5_5 C1_5 C2_5 C3_5 1.2(17)
P1 C1_5 C2_5 C3_5 170.6(14)
Cr1A C1_5 C2_5 C3_5 -61.0(10)
C5_5 C1_5 C2_5 Cr1A 62.2(10)
P1 C1_5 C2_5 Cr1A -128.3(19)
C5_5 Cr1A C2_5 C3_5 80.1(6)
C1_5 Cr1A C2_5 C3_5 119.4(11)
C4_5 Cr1A C2_5 C3_5 37.9(5)
C5_5 Cr1A C2_5 C1_5 -39.3(8)
C3_5 Cr1A C2_5 C1_5 -119.4(11)
C4_5 Cr1A C2_5 C1_5 -81.6(9)
C1_5 Cr1A C4_5 C5_5 37.5(6)
C2_5 Cr1A C4_5 C5_5 80.9(7)
C3_5 Cr1A C4_5 C5_5 118.1(7)
C5_5 Cr1A C4_5 C3_5 -118.1(7)
C1_5 Cr1A C4_5 C3_5 -80.5(5)
C2_5 Cr1A C4_5 C3_5 -37.2(4)
C1_5 C2_5 C3_5 C4_5 -1.2(15)
Cr1A C2_5 C3_5 C4_5 -61.6(8)
C1_5 C2_5 C3_5 Cr1A 60.4(10)
C5_5 C4_5 C3_5 C2_5 0.8(13)
Cr1A C4_5 C3_5 C2_5 61.7(8)
C5_5 C4_5 C3_5 Cr1A -60.9(8)
C5_5 Cr1A C3_5 C2_5 -80.6(7)
C1_5 Cr1A C3_5 C2_5 -37.2(6)
C4_5 Cr1A C3_5 C2_5 -117.6(7)
C5_5 Cr1A C3_5 C4_5 37.0(4)
C1_5 Cr1A C3_5 C4_5 80.4(5)
C2_5 Cr1A C3_5 C4_5 117.6(7)
C3_5 C4_5 C5_5 C1_5 0.0(15)
Cr1A C4_5 C5_5 C1_5 -61.2(10)
C3_5 C4_5 C5_5 Cr1A 61.1(8)
C2_5 C1_5 C5_5 C4_5 -0.7(17)
P1 C1_5 C5_5 C4_5 -170.5(14)
Cr1A C1_5 C5_5 C4_5 61.9(10)
C2_5 C1_5 C5_5 Cr1A -62.6(10)
P1 C1_5 C5_5 Cr1A 127.6(18)
C1_5 Cr1A C5_5 C4_5 -118.9(11)
C2_5 Cr1A C5_5 C4_5 -79.7(6)
C3_5 Cr1A C5_5 C4_5 -37.6(5)
C2_5 Cr1A C5_5 C1_5 39.2(8)
C3_5 Cr1A C5_5 C1_5 81.3(9)
C4_5 Cr1A C5_5 C1_5 118.9(11)
Pt1 P2 C1_6 C2_6 112.6(14)
Pt1 P2 C1_6 C7_6 -62.9(15)
Pt1 P2 C1_6 Cr1A 17.3(10)
C7_6 Cr1A C1_6 C2_6 142.5(17)
C5_6 Cr1A C1_6 C2_6 90.0(9)
C3_6 Cr1A C1_6 C2_6 22.1(8)
C6_6 Cr1A C1_6 C2_6 120.2(10)
C4_6 Cr1A C1_6 C2_6 52.5(9)
C5_6 Cr1A C1_6 C7_6 -52.5(9)
C2_6 Cr1A C1_6 C7_6 -142.5(17)
C3_6 Cr1A C1_6 C7_6 -120.4(11)
C6_6 Cr1A C1_6 C7_6 -22.3(8)
C4_6 Cr1A C1_6 C7_6 -90.0(9)
C7_6 Cr1A C1_6 P2 -97.4(10)
C5_6 Cr1A C1_6 P2 -149.9(8)
C2_6 Cr1A C1_6 P2 120.1(14)
C3_6 Cr1A C1_6 P2 142.2(9)
C6_6 Cr1A C1_6 P2 -119.7(8)
C4_6 Cr1A C1_6 P2 172.6(8)
C7_6 C1_6 C2_6 C3_6 1(3)
P2 C1_6 C2_6 C3_6 -173.4(11)
Cr1A C1_6 C2_6 C3_6 -44.8(15)
C7_6 C1_6 C2_6 Cr1A 46.0(17)
P2 C1_6 C2_6 Cr1A -128.7(18)
C1_6 Cr1A C2_6 C3_6 144.4(12)
C7_6 Cr1A C2_6 C3_6 121.0(7)
C5_6 Cr1A C2_6 C3_6 50.9(6)
C6_6 Cr1A C2_6 C3_6 89.0(6)
C4_6 Cr1A C2_6 C3_6 20.5(5)
C7_6 Cr1A C2_6 C1_6 -23.4(10)
C5_6 Cr1A C2_6 C1_6 -93.4(10)
C3_6 Cr1A C2_6 C1_6 -144.4(12)
C6_6 Cr1A C2_6 C1_6 -55.4(10)
C4_6 Cr1A C2_6 C1_6 -123.9(11)
C1_6 C2_6 C3_6 C4_6 2(2)
Cr1A C2_6 C3_6 C4_6 -42.5(12)
C1_6 C2_6 C3_6 Cr1A 44.6(15)
C1_6 Cr1A C3_6 C2_6 -22.3(7)
C7_6 Cr1A C3_6 C2_6 -54.8(6)
C5_6 Cr1A C3_6 C2_6 -125.1(7)
C6_6 Cr1A C3_6 C2_6 -92.6(6)
C4_6 Cr1A C3_6 C2_6 -147.1(9)
C1_6 Cr1A C3_6 C4_6 124.8(8)
C7_6 Cr1A C3_6 C4_6 92.3(6)
C5_6 Cr1A C3_6 C4_6 22.1(5)
C2_6 Cr1A C3_6 C4_6 147.1(9)
C6_6 Cr1A C3_6 C4_6 54.5(6)
C2_6 C3_6 C4_6 C5_6 -2(2)
Cr1A C3_6 C4_6 C5_6 -44.3(11)
C2_6 C3_6 C4_6 Cr1A 42.3(12)
C1_6 Cr1A C4_6 C5_6 92.6(6)
C7_6 Cr1A C4_6 C5_6 54.0(6)
C2_6 Cr1A C4_6 C5_6 123.7(6)
C3_6 Cr1A C4_6 C5_6 144.2(8)
C6_6 Cr1A C4_6 C5_6 23.8(5)
C1_6 Cr1A C4_6 C3_6 -51.6(6)
C7_6 Cr1A C4_6 C3_6 -90.2(6)
C5_6 Cr1A C4_6 C3_6 -144.2(8)
C2_6 Cr1A C4_6 C3_6 -20.5(5)
C6_6 Cr1A C4_6 C3_6 -120.4(7)
C3_6 C4_6 C5_6 C6_6 -3.4(19)
Cr1A C4_6 C5_6 C6_6 -47.6(11)
C3_6 C4_6 C5_6 Cr1A 44.3(11)
C1_6 Cr1A C5_6 C4_6 -91.1(6)
C7_6 Cr1A C5_6 C4_6 -122.2(7)
C2_6 Cr1A C5_6 C4_6 -52.6(5)
C3_6 Cr1A C5_6 C4_6 -22.3(5)
C6_6 Cr1A C5_6 C4_6 -141.8(8)
C1_6 Cr1A C5_6 C6_6 50.8(6)
C7_6 Cr1A C5_6 C6_6 19.7(6)
C2_6 Cr1A C5_6 C6_6 89.3(6)
C3_6 Cr1A C5_6 C6_6 119.5(7)
C4_6 Cr1A C5_6 C6_6 141.8(8)
C4_6 C5_6 C6_6 C7_6 7(2)
Cr1A C5_6 C6_6 C7_6 -40.4(14)
C4_6 C5_6 C6_6 Cr1A 47.8(11)
C1_6 Cr1A C6_6 C7_6 22.6(8)
C5_6 Cr1A C6_6 C7_6 148.4(10)
C2_6 Cr1A C6_6 C7_6 55.1(7)
C3_6 Cr1A C6_6 C7_6 93.0(7)
C4_6 Cr1A C6_6 C7_6 125.0(8)
C1_6 Cr1A C6_6 C5_6 -125.8(8)
C7_6 Cr1A C6_6 C5_6 -148.4(10)
C2_6 Cr1A C6_6 C5_6 -93.3(6)
C3_6 Cr1A C6_6 C5_6 -55.4(6)
C4_6 Cr1A C6_6 C5_6 -23.4(5)
C5_6 C6_6 C7_6 C1_6 -5(3)
Cr1A C6_6 C7_6 C1_6 -45.1(16)
C5_6 C6_6 C7_6 Cr1A 40.4(13)
C2_6 C1_6 C7_6 C6_6 -1(3)
P2 C1_6 C7_6 C6_6 174.8(13)
Cr1A C1_6 C7_6 C6_6 45.4(16)
C2_6 C1_6 C7_6 Cr1A -46.0(17)
P2 C1_6 C7_6 Cr1A 129.4(13)
C1_6 Cr1A C7_6 C6_6 -143.9(13)
C5_6 Cr1A C7_6 C6_6 -19.8(6)
C2_6 Cr1A C7_6 C6_6 -120.5(7)
C3_6 Cr1A C7_6 C6_6 -88.7(7)
C4_6 Cr1A C7_6 C6_6 -50.8(7)
C5_6 Cr1A C7_6 C1_6 124.2(11)
C2_6 Cr1A C7_6 C1_6 23.4(10)
C3_6 Cr1A C7_6 C1_6 55.2(10)
C6_6 Cr1A C7_6 C1_6 143.9(13)
C4_6 Cr1A C7_6 C1_6 93.1(11)
Pt1 P2 C1_15 C2_15 130.4(10)
Pt1 P2 C1_15 C5_15 -57.3(13)
Pt1 P2 C1_15 Cr1B 37.6(6)
C5_15 Cr1B C1_15 C2_15 114.8(11)
C3_15 Cr1B C1_15 C2_15 78.8(7)
C4_15 Cr1B C1_15 C2_15 36.3(5)
C2_15 Cr1B C1_15 C5_15 -114.8(11)
C3_15 Cr1B C1_15 C5_15 -36.0(6)
C4_15 Cr1B C1_15 C5_15 -78.5(7)
C2_15 Cr1B C1_15 P2 121.6(8)
C5_15 Cr1B C1_15 P2 -123.6(8)
C3_15 Cr1B C1_15 P2 -159.7(6)
C4_15 Cr1B C1_15 P2 157.8(6)
C5_15 C1_15 C2_15 C4_15 0.4(11)
P2 C1_15 C2_15 C4_15 174.1(9)
Cr1B C1_15 C2_15 C4_15 -62.4(7)
C5_15 C1_15 C2_15 Cr1B 62.8(7)
P2 C1_15 C2_15 Cr1B -123.4(12)
C1_15 Cr1B C2_15 C4_15 118.9(8)
C5_15 Cr1B C2_15 C4_15 79.5(4)
C3_15 Cr1B C2_15 C4_15 37.5(4)
C5_15 Cr1B C2_15 C1_15 -39.3(7)
C3_15 Cr1B C2_15 C1_15 -81.3(7)
C4_15 Cr1B C2_15 C1_15 -118.9(8)
C2_15 Cr1B C3_15 C5_15 80.9(6)
C1_15 Cr1B C3_15 C5_15 37.3(5)
C4_15 Cr1B C3_15 C5_15 117.8(6)
C2_15 Cr1B C3_15 C4_15 -36.9(3)
C1_15 Cr1B C3_15 C4_15 -80.5(4)
C5_15 Cr1B C3_15 C4_15 -117.8(6)
C1_15 C2_15 C4_15 C3_15 0.2(10)
Cr1B C2_15 C4_15 C3_15 -61.2(5)
C1_15 C2_15 C4_15 Cr1B 61.4(7)
C5_15 C3_15 C4_15 C2_15 -0.8(9)
Cr1B C3_15 C4_15 C2_15 60.6(5)
C5_15 C3_15 C4_15 Cr1B -61.3(6)
C1_15 Cr1B C4_15 C2_15 -37.6(4)
C5_15 Cr1B C4_15 C2_15 -81.0(5)
C3_15 Cr1B C4_15 C2_15 -118.1(5)
C2_15 Cr1B C4_15 C3_15 118.1(5)
C1_15 Cr1B C4_15 C3_15 80.4(4)
C5_15 Cr1B C4_15 C3_15 37.0(3)
C4_15 C3_15 C5_15 C1_15 1.0(11)
Cr1B C3_15 C5_15 C1_15 -60.5(8)
C4_15 C3_15 C5_15 Cr1B 61.5(6)
C2_15 C1_15 C5_15 C3_15 -0.9(12)
P2 C1_15 C5_15 C3_15 -174.5(10)
Cr1B C1_15 C5_15 C3_15 61.5(7)
C2_15 C1_15 C5_15 Cr1B -62.3(7)
P2 C1_15 C5_15 Cr1B 124.0(12)
C2_15 Cr1B C5_15 C3_15 -79.8(5)
C1_15 Cr1B C5_15 C3_15 -119.3(9)
C4_15 Cr1B C5_15 C3_15 -37.7(4)
C2_15 Cr1B C5_15 C1_15 39.5(7)
C3_15 Cr1B C5_15 C1_15 119.3(9)
C4_15 Cr1B C5_15 C1_15 81.6(7)
Pt1 P1 C1_16 C2_16 123.8(10)
Pt1 P1 C1_16 C7_16 -52.1(11)
Pt1 P1 C1_16 Cr1B 29.8(7)
C7_16 Cr1B C1_16 C2_16 142.5(13)
C6_16 Cr1B C1_16 C2_16 120.2(8)
C3_16 Cr1B C1_16 C2_16 21.7(6)
C5_16 Cr1B C1_16 C2_16 89.5(7)
C4_16 Cr1B C1_16 C2_16 52.2(7)
C6_16 Cr1B C1_16 C7_16 -22.3(6)
C2_16 Cr1B C1_16 C7_16 -142.5(13)
C3_16 Cr1B C1_16 C7_16 -120.7(8)
C5_16 Cr1B C1_16 C7_16 -53.0(7)
C4_16 Cr1B C1_16 C7_16 -90.3(7)
C7_16 Cr1B C1_16 P1 -100.2(8)
C6_16 Cr1B C1_16 P1 -122.5(6)
C2_16 Cr1B C1_16 P1 117.3(10)
C3_16 Cr1B C1_16 P1 139.0(6)
C5_16 Cr1B C1_16 P1 -153.3(6)
C4_16 Cr1B C1_16 P1 169.5(5)
C7_16 C1_16 C2_16 C3_16 2(2)
P1 C1_16 C2_16 C3_16 -173.2(9)
Cr1B C1_16 C2_16 C3_16 -44.1(11)
C7_16 C1_16 C2_16 Cr1B 46.0(12)
P1 C1_16 C2_16 Cr1B -129.1(13)
C7_16 Cr1B C2_16 C3_16 121.3(5)
C1_16 Cr1B C2_16 C3_16 144.9(10)
C6_16 Cr1B C2_16 C3_16 89.2(5)
C5_16 Cr1B C2_16 C3_16 51.1(5)
C4_16 Cr1B C2_16 C3_16 20.9(4)
C7_16 Cr1B C2_16 C1_16 -23.5(8)
C6_16 Cr1B C2_16 C1_16 -55.7(8)
C3_16 Cr1B C2_16 C1_16 -144.9(10)
C5_16 Cr1B C2_16 C1_16 -93.7(8)
C4_16 Cr1B C2_16 C1_16 -124.0(9)
C1_16 C2_16 C3_16 C4_16 0.0(17)
Cr1B C2_16 C3_16 C4_16 -43.6(9)
C1_16 C2_16 C3_16 Cr1B 43.6(11)
C7_16 Cr1B C3_16 C2_16 -54.7(5)
C1_16 Cr1B C3_16 C2_16 -22.1(6)
C6_16 Cr1B C3_16 C2_16 -92.9(5)
C5_16 Cr1B C3_16 C2_16 -124.6(6)
C4_16 Cr1B C3_16 C2_16 -146.3(7)
C7_16 Cr1B C3_16 C4_16 91.6(5)
C1_16 Cr1B C3_16 C4_16 124.2(6)
C6_16 Cr1B C3_16 C4_16 53.4(5)
C2_16 Cr1B C3_16 C4_16 146.3(7)
C5_16 Cr1B C3_16 C4_16 21.7(4)
C2_16 C3_16 C4_16 C5_16 -0.9(15)
Cr1B C3_16 C4_16 C5_16 -44.1(8)
C2_16 C3_16 C4_16 Cr1B 43.2(9)
C7_16 Cr1B C4_16 C5_16 53.6(4)
C1_16 Cr1B C4_16 C5_16 92.4(4)
C6_16 Cr1B C4_16 C5_16 22.8(4)
C2_16 Cr1B C4_16 C5_16 123.7(5)
C3_16 Cr1B C4_16 C5_16 144.6(6)
C7_16 Cr1B C4_16 C3_16 -91.0(5)
C1_16 Cr1B C4_16 C3_16 -52.2(5)
C6_16 Cr1B C4_16 C3_16 -121.8(5)
C2_16 Cr1B C4_16 C3_16 -21.0(4)
C5_16 Cr1B C4_16 C3_16 -144.6(6)
C3_16 C4_16 C5_16 C6_16 -1.0(14)
Cr1B C4_16 C5_16 C6_16 -44.9(8)
C3_16 C4_16 C5_16 Cr1B 43.9(8)
C7_16 Cr1B C5_16 C4_16 -122.6(5)
C1_16 Cr1B C5_16 C4_16 -91.0(4)
C6_16 Cr1B C5_16 C4_16 -143.5(6)
C2_16 Cr1B C5_16 C4_16 -52.4(4)
C3_16 Cr1B C5_16 C4_16 -22.0(4)
C7_16 Cr1B C5_16 C6_16 20.9(4)
C1_16 Cr1B C5_16 C6_16 52.5(5)
C2_16 Cr1B C5_16 C6_16 91.1(5)
C3_16 Cr1B C5_16 C6_16 121.4(5)
C4_16 Cr1B C5_16 C6_16 143.5(6)
C4_16 C5_16 C6_16 C7_16 2.8(15)
Cr1B C5_16 C6_16 C7_16 -42.8(9)
C4_16 C5_16 C6_16 Cr1B 45.6(8)
C1_16 Cr1B C6_16 C7_16 22.5(6)
C2_16 Cr1B C6_16 C7_16 55.1(5)
C3_16 Cr1B C6_16 C7_16 92.9(5)
C5_16 Cr1B C6_16 C7_16 146.6(7)
C4_16 Cr1B C6_16 C7_16 124.3(6)
C7_16 Cr1B C6_16 C5_16 -146.6(7)
C1_16 Cr1B C6_16 C5_16 -124.1(6)
C2_16 Cr1B C6_16 C5_16 -91.5(5)
C3_16 Cr1B C6_16 C5_16 -53.7(5)
C4_16 Cr1B C6_16 C5_16 -22.4(4)
C5_16 C6_16 C7_16 C1_16 -1.4(17)
Cr1B C6_16 C7_16 C1_16 -44.7(11)
C5_16 C6_16 C7_16 Cr1B 43.3(9)
C2_16 C1_16 C7_16 C6_16 -1(2)
P1 C1_16 C7_16 C6_16 174.1(8)
Cr1B C1_16 C7_16 C6_16 44.9(11)
C2_16 C1_16 C7_16 Cr1B -46.3(12)
P1 C1_16 C7_16 Cr1B 129.3(10)
C1_16 Cr1B C7_16 C6_16 -144.2(10)
C2_16 Cr1B C7_16 C6_16 -120.8(5)
C3_16 Cr1B C7_16 C6_16 -89.2(5)
C5_16 Cr1B C7_16 C6_16 -20.8(4)
C4_16 Cr1B C7_16 C6_16 -51.4(5)
C6_16 Cr1B C7_16 C1_16 144.2(10)
C2_16 Cr1B C7_16 C1_16 23.4(8)
C3_16 Cr1B C7_16 C1_16 55.1(8)
C5_16 Cr1B C7_16 C1_16 123.4(9)
C4_16 Cr1B C7_16 C1_16 92.8(8)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.833 0.250 148 50 ' '
2 1.000 0.333 0.250 148 50 ' '
3 0.000 0.758 0.250 31 3 ' '
4 0.500 0.258 0.250 31 3 ' '
5 0.500 0.167 0.750 148 50 ' '
6 1.000 0.667 0.750 148 50 ' '
7 0.000 0.242 0.750 31 3 ' '
8 0.500 0.742 0.750 31 3 ' '
