#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:20:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179477 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/74/4337427.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_4337427
loop_
_publ_author_name
'Ferrer, Montserrat'
'Gómez-Bautista, Daniel'
'Gutiérrez, Albert'
'Miranda, José R'
'Orduña-Marco, Guillermo'
'Oro, Luis A.'
'Pérez-Torrente, Jesús J'
'Rossell, Oriol'
'García-Orduña, Pilar'
'Lahoz, Fernando J.'
_publ_section_title
;
 Dinuclear Pyridine-4-thiolate-Bridged Rhodium and Iridium Complexes as
 Ditopic Building Blocks in Molecular Architecture.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1699
_journal_page_last               1711
_journal_paper_doi               10.1021/ic402838y
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety
'C106 H116 N4 P4 Pt2 Rh4 S4,4(C F3 O3 S),4(C H2 Cl2),7(C4 H10 O)'
_chemical_formula_sum            'C142 H194 Cl8 F12 N4 O19 P4 Pt2 Rh4 S8'
_chemical_formula_weight         3954.79
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.8530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.4510(9)
_cell_length_b                   18.3763(11)
_cell_length_c                   27.5849(17)
_cell_measurement_reflns_used    8937
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.864
_cell_measurement_theta_min      2.309
_cell_volume                     7324.5(8)
_computing_cell_refinement       'SAINT+ in APEX2 (Bruker AXS,2008)'
_computing_data_collection       'SMART in APEX2 (Bruker AXS,2008)'
_computing_data_reduction        'SAINT+ in APEX2 (Bruker AXS,2008)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX CCD system'
_diffrn_measurement_method       'narrow ω frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0669
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            47211
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.729
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5985
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS: Area-Detector Absorption Correction. (1996) Bruker-AXS 
 within APEX2 package. 
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3988
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         2.356
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         16801
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0721P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1336
_reflns_number_gt                11372
_reflns_number_total             16801
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402838y_si_001.cif
_cod_data_source_block           cmpnd_1d2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4337427
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.442908(17) 0.140856(11) 0.189862(7) 0.02390(7) Uani 1 1 d . . .
Rh1 Rh 0.46502(4) 0.24392(2) -0.101643(15) 0.03192(13) Uani 1 1 d . . .
Rh2 Rh 0.27373(4) 0.18806(2) -0.085747(16) 0.03259(13) Uani 1 1 d . . .
P1 P 0.45679(12) 0.12420(7) 0.27093(5) 0.0256(3) Uani 1 1 d . . .
P2 P 0.36877(12) 0.24854(7) 0.19793(5) 0.0281(4) Uani 1 1 d . . .
S1 S 0.63662(13) -0.18217(8) 0.15591(5) 0.0359(4) Uani 1 1 d . . .
S2 S 0.41547(11) 0.14658(7) -0.05150(5) 0.0279(3) Uani 1 1 d . . .
N1 N 0.5070(3) 0.0405(2) 0.17891(15) 0.0256(11) Uani 1 1 d . . .
N2 N 0.4355(3) 0.1471(2) 0.11356(15) 0.0262(11) Uani 1 1 d . . .
C1 C 0.5977(5) 0.0340(3) 0.1717(2) 0.0314(14) Uani 1 1 d . . .
H1 H 0.6350 0.0766 0.1722 0.038 Uiso 1 1 calc R . .
C2 C 0.6389(5) -0.0317(3) 0.1636(2) 0.0359(15) Uani 1 1 d . . .
H2 H 0.7039 -0.0343 0.1591 0.043 Uiso 1 1 calc R . .
C3 C 0.5862(5) -0.0948(3) 0.16208(18) 0.0301(14) Uani 1 1 d . . .
C4 C 0.4924(5) -0.0882(3) 0.1687(2) 0.0367(15) Uani 1 1 d . . .
H4 H 0.4534 -0.1298 0.1678 0.044 Uiso 1 1 calc R . .
C5 C 0.4561(5) -0.0203(3) 0.1769(2) 0.0335(14) Uani 1 1 d . . .
H5 H 0.3913 -0.0162 0.1813 0.040 Uiso 1 1 calc R . .
C6 C 0.4983(4) 0.1833(3) 0.08801(19) 0.0293(13) Uani 1 1 d . . .
H6 H 0.5466 0.2085 0.1047 0.035 Uiso 1 1 calc R . .
C7 C 0.4952(5) 0.1852(3) 0.0384(2) 0.0351(15) Uani 1 1 d . . .
H7 H 0.5411 0.2115 0.0214 0.042 Uiso 1 1 calc R . .
C8 C 0.4255(4) 0.1490(3) 0.01241(19) 0.0269(13) Uani 1 1 d . . .
C9 C 0.3630(5) 0.1098(3) 0.0395(2) 0.0331(14) Uani 1 1 d . . .
H9 H 0.3154 0.0828 0.0236 0.040 Uiso 1 1 calc R . .
C10 C 0.3693(4) 0.1096(3) 0.08971(19) 0.0305(14) Uani 1 1 d . . .
H10 H 0.3258 0.0823 0.1077 0.037 Uiso 1 1 calc R . .
C11 C 0.5316(6) 0.2956(3) -0.1611(2) 0.050(2) Uani 1 1 d . . .
H11 H 0.5180 0.2715 -0.1929 0.060 Uiso 1 1 calc R . .
C12 C 0.4591(6) 0.3396(3) -0.1453(2) 0.051(2) Uani 1 1 d . . .
H12 H 0.4048 0.3414 -0.1682 0.061 Uiso 1 1 calc R . .
C13 C 0.4729(7) 0.4087(3) -0.1159(2) 0.058(2) Uani 1 1 d . . .
H13A H 0.5317 0.4319 -0.1254 0.069 Uiso 1 1 calc R . .
H13B H 0.4220 0.4430 -0.1238 0.069 Uiso 1 1 calc R . .
C14 C 0.4753(6) 0.3960(3) -0.0617(2) 0.054(2) Uani 1 1 d . . .
H14B H 0.4127 0.4046 -0.0489 0.065 Uiso 1 1 calc R . .
H14A H 0.5176 0.4320 -0.0465 0.065 Uiso 1 1 calc R . .
C15 C 0.5065(5) 0.3204(3) -0.0469(2) 0.0412(17) Uani 1 1 d . . .
H15 H 0.4893 0.3062 -0.0132 0.049 Uiso 1 1 calc R . .
C16 C 0.5849(5) 0.2859(4) -0.0641(2) 0.0421(17) Uani 1 1 d . . .
H16 H 0.6136 0.2509 -0.0406 0.050 Uiso 1 1 calc R . .
C17 C 0.6537(6) 0.3220(5) -0.0972(3) 0.061(2) Uani 1 1 d . . .
H17B H 0.7170 0.3056 -0.0884 0.073 Uiso 1 1 calc R . .
H17A H 0.6511 0.3754 -0.0928 0.073 Uiso 1 1 calc R . .
C18 C 0.6335(6) 0.3035(4) -0.1506(3) 0.059(2) Uani 1 1 d . . .
H18A H 0.6588 0.3425 -0.1714 0.071 Uiso 1 1 calc R . .
H18B H 0.6653 0.2576 -0.1589 0.071 Uiso 1 1 calc R . .
C19 C 0.1830(5) 0.2612(4) -0.1223(2) 0.0404(16) Uani 1 1 d . . .
H19 H 0.2094 0.2819 -0.1527 0.049 Uiso 1 1 calc R . .
C20 C 0.1487(5) 0.1907(4) -0.1281(2) 0.0473(18) Uani 1 1 d . . .
H20 H 0.1551 0.1707 -0.1616 0.057 Uiso 1 1 calc R . .
C21 C 0.0709(6) 0.1582(5) -0.1002(3) 0.068(2) Uani 1 1 d . . .
H21B H 0.0713 0.1048 -0.1050 0.082 Uiso 1 1 calc R . .
H21A H 0.0117 0.1770 -0.1137 0.082 Uiso 1 1 calc R . .
C22 C 0.0747(6) 0.1740(6) -0.0460(3) 0.072(3) Uani 1 1 d . . .
H22B H 0.0438 0.1343 -0.0282 0.086 Uiso 1 1 calc R . .
H22A H 0.0414 0.2199 -0.0393 0.086 Uiso 1 1 calc R . .
C23 C 0.1750(5) 0.1807(4) -0.0283(3) 0.053(2) Uani 1 1 d . . .
H23 H 0.1920 0.1430 -0.0036 0.063 Uiso 1 1 calc R . .
C24 C 0.2265(5) 0.2444(4) -0.0231(2) 0.0443(18) Uani 1 1 d . . .
H24 H 0.2711 0.2446 0.0050 0.053 Uiso 1 1 calc R . .
C25 C 0.1932(6) 0.3196(4) -0.0393(2) 0.0504(19) Uani 1 1 d . . .
H25A H 0.1500 0.3390 -0.0149 0.061 Uiso 1 1 calc R . .
H25B H 0.2469 0.3530 -0.0406 0.061 Uiso 1 1 calc R . .
C26 C 0.1445(6) 0.3186(4) -0.0887(3) 0.053(2) Uani 1 1 d . . .
H26A H 0.0777 0.3094 -0.0842 0.063 Uiso 1 1 calc R . .
H26B H 0.1510 0.3670 -0.1041 0.063 Uiso 1 1 calc R . .
C27 C 0.4709(5) 0.2071(3) 0.30663(19) 0.0296(14) Uani 1 1 d . . .
H27A H 0.4726 0.1940 0.3414 0.035 Uiso 1 1 calc R . .
H27B H 0.5312 0.2295 0.2988 0.035 Uiso 1 1 calc R . .
C28 C 0.3948(5) 0.2632(3) 0.29817(19) 0.0300(14) Uani 1 1 d . . .
H28A H 0.3965 0.2992 0.3249 0.036 Uiso 1 1 calc R . .
H28B H 0.3339 0.2386 0.2987 0.036 Uiso 1 1 calc R . .
C29 C 0.4052(5) 0.3028(3) 0.24992(19) 0.0309(14) Uani 1 1 d . . .
H29A H 0.4708 0.3168 0.2461 0.037 Uiso 1 1 calc R . .
H29B H 0.3680 0.3481 0.2506 0.037 Uiso 1 1 calc R . .
C30 C 0.5581(5) 0.0716(3) 0.28795(19) 0.0288(14) Uani 1 1 d . . .
C31 C 0.6460(4) 0.1007(3) 0.27995(19) 0.0299(14) Uani 1 1 d . . .
H31 H 0.6506 0.1469 0.2646 0.036 Uiso 1 1 calc R . .
C32 C 0.7253(5) 0.0652(3) 0.2934(2) 0.0368(15) Uani 1 1 d . . .
H32 H 0.7838 0.0868 0.2878 0.044 Uiso 1 1 calc R . .
C33 C 0.7200(5) -0.0023(4) 0.3151(3) 0.0487(19) Uani 1 1 d . . .
H33 H 0.7746 -0.0280 0.3241 0.058 Uiso 1 1 calc R . .
C34 C 0.6339(6) -0.0318(4) 0.3235(3) 0.057(2) Uani 1 1 d . . .
H34 H 0.6302 -0.0777 0.3391 0.069 Uiso 1 1 calc R . .
C35 C 0.5530(5) 0.0029(3) 0.3101(2) 0.0383(16) Uani 1 1 d . . .
H35 H 0.4948 -0.0192 0.3157 0.046 Uiso 1 1 calc R . .
C36 C 0.3600(5) 0.0764(3) 0.2968(2) 0.0302(14) Uani 1 1 d . . .
C37 C 0.2933(5) 0.0459(3) 0.2670(2) 0.0332(15) Uani 1 1 d . . .
H37 H 0.2968 0.0516 0.2329 0.040 Uiso 1 1 calc R . .
C38 C 0.2196(5) 0.0062(3) 0.2874(3) 0.0471(19) Uani 1 1 d . . .
H38 H 0.1730 -0.0140 0.2668 0.057 Uiso 1 1 calc R . .
C39 C 0.2150(5) -0.0035(3) 0.3363(3) 0.0464(19) Uani 1 1 d . . .
H39 H 0.1661 -0.0312 0.3498 0.056 Uiso 1 1 calc R . .
C40 C 0.2815(5) 0.0272(4) 0.3661(2) 0.047(2) Uani 1 1 d . . .
H40 H 0.2770 0.0208 0.4002 0.057 Uiso 1 1 calc R . .
C41 C 0.3546(5) 0.0668(3) 0.3483(2) 0.0381(16) Uani 1 1 d . . .
H41 H 0.4000 0.0872 0.3695 0.046 Uiso 1 1 calc R . .
C42 C 0.2446(5) 0.2391(3) 0.2026(2) 0.0340(15) Uani 1 1 d . . .
C43 C 0.1886(5) 0.2963(4) 0.2185(2) 0.0390(16) Uani 1 1 d . . .
H43 H 0.2157 0.3416 0.2273 0.047 Uiso 1 1 calc R . .
C44 C 0.0945(6) 0.2869(4) 0.2214(2) 0.052(2) Uani 1 1 d . . .
H44 H 0.0565 0.3261 0.2315 0.062 Uiso 1 1 calc R . .
C45 C 0.0542(6) 0.2191(5) 0.2095(3) 0.057(2) Uani 1 1 d . . .
H45 H -0.0106 0.2122 0.2127 0.068 Uiso 1 1 calc R . .
C46 C 0.1084(6) 0.1636(5) 0.1935(3) 0.059(2) Uani 1 1 d . . .
H46 H 0.0814 0.1181 0.1850 0.071 Uiso 1 1 calc R . .
C47 C 0.2029(5) 0.1738(4) 0.1896(3) 0.0450(17) Uani 1 1 d . . .
H47 H 0.2401 0.1352 0.1778 0.054 Uiso 1 1 calc R . .
C48 C 0.3862(5) 0.3086(3) 0.1459(2) 0.0352(16) Uani 1 1 d . . .
C49 C 0.4723(6) 0.3437(3) 0.1419(2) 0.048(2) Uani 1 1 d . . .
H49 H 0.5196 0.3364 0.1656 0.057 Uiso 1 1 calc R . .
C50 C 0.4865(7) 0.3892(3) 0.1027(3) 0.056(2) Uani 1 1 d . . .
H50 H 0.5439 0.4140 0.0998 0.067 Uiso 1 1 calc R . .
C51 C 0.4187(8) 0.3989(3) 0.0678(2) 0.066(3) Uani 1 1 d . . .
H51 H 0.4299 0.4299 0.0410 0.079 Uiso 1 1 calc R . .
C52 C 0.3347(7) 0.3641(3) 0.0715(2) 0.053(2) Uani 1 1 d . . .
H52 H 0.2884 0.3710 0.0471 0.064 Uiso 1 1 calc R . .
C53 C 0.3174(5) 0.3186(3) 0.1111(2) 0.0385(16) Uani 1 1 d . . .
H53 H 0.2593 0.2950 0.1141 0.046 Uiso 1 1 calc R . .
S3 S 0.30225(14) 0.43947(9) 0.34707(6) 0.0462(5) Uani 1 1 d . . .
O1 O 0.2672(3) 0.5119(2) 0.34906(15) 0.0462(12) Uani 1 1 d . . .
O2 O 0.2423(4) 0.3922(3) 0.31567(18) 0.0585(14) Uani 1 1 d . . .
O3 O 0.3987(3) 0.4327(2) 0.33774(17) 0.0457(12) Uani 1 1 d . . .
C54 C 0.2823(7) 0.4018(5) 0.4028(3) 0.066(2) Uani 1 1 d . . .
F1 F 0.1950(4) 0.4058(4) 0.41844(19) 0.0986(19) Uani 1 1 d . . .
F2 F 0.3326(5) 0.4415(4) 0.43929(18) 0.117(2) Uani 1 1 d . . .
F3 F 0.3092(4) 0.3335(3) 0.40974(19) 0.0891(17) Uani 1 1 d . . .
S4A S 0.6810(2) 0.27853(17) 0.19117(11) 0.0378(10) Uiso 0.532(5) 1 d PD A 1
C55A C 0.8014(9) 0.2523(7) 0.2045(5) 0.043(3) Uiso 0.532(5) 1 d PD A 1
O6A O 0.6496(7) 0.2993(5) 0.2385(3) 0.049(2) Uiso 0.532(5) 1 d P A 1
F6A F 0.8429(9) 0.2333(7) 0.1630(5) 0.089(4) Uiso 0.532(5) 1 d P A 1
S4B S 0.7403(2) 0.25687(17) 0.16223(11) 0.0308(10) Uiso 0.468(5) 1 d PD A 2
C55B C 0.7742(10) 0.2813(7) 0.2235(4) 0.030(3) Uiso 0.468(5) 1 d PD A 2
O6B O 0.8208(9) 0.2161(7) 0.1487(5) 0.055(4) Uiso 0.468(5) 1 d P A 2
F6B F 0.7046(8) 0.3176(6) 0.2457(4) 0.063(3) Uiso 0.468(5) 1 d P A 2
F4 F 0.8484(3) 0.3176(3) 0.22330(15) 0.0663(13) Uani 1 1 d . . .
F5 F 0.8010(3) 0.2137(3) 0.24433(19) 0.0864(17) Uani 1 1 d . . .
O4 O 0.7043(5) 0.3305(3) 0.1477(3) 0.101(3) Uani 1 1 d . . .
O5 O 0.6522(4) 0.2108(3) 0.17116(17) 0.0550(14) Uani 1 1 d . . .
C56 C 0.5864(5) 0.4686(4) 0.2826(3) 0.057(2) Uani 1 1 d . . .
H56A H 0.6401 0.4367 0.2762 0.069 Uiso 1 1 calc R . .
H56B H 0.5421 0.4412 0.3026 0.069 Uiso 1 1 calc R . .
Cl1 Cl 0.53306(14) 0.49458(12) 0.22767(7) 0.0590(5) Uani 1 1 d . . .
Cl2 Cl 0.62436(16) 0.54899(17) 0.31447(8) 0.0856(8) Uani 1 1 d . . .
C57 C 0.5143(12) 0.7990(7) 0.4084(4) 0.152(7) Uani 1 1 d . . .
H57A H 0.5401 0.7862 0.3765 0.182 Uiso 1 1 calc R . .
H57B H 0.5663 0.8087 0.4313 0.182 Uiso 1 1 calc R . .
Cl3 Cl 0.4396(3) 0.8796(2) 0.40295(14) 0.1365(13) Uani 1 1 d . . .
Cl4 Cl 0.4486(4) 0.7305(3) 0.42904(16) 0.200(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Pt1 N2 85.40(17) . .
N1 Pt1 P2 176.82(13) . .
N2 Pt1 P2 91.92(13) . .
N1 Pt1 P1 89.46(12) . .
N2 Pt1 P1 174.85(13) . .
P2 Pt1 P1 93.22(5) . .
C12 Rh1 C11 38.2(3) . .
C12 Rh1 C15 82.3(2) . .
C11 Rh1 C15 97.2(3) . .
C12 Rh1 C16 90.1(3) . .
C11 Rh1 C16 80.9(3) . .
C15 Rh1 C16 37.8(3) . .
C12 Rh1 S1 91.1(2) . 3_655
C11 Rh1 S1 90.6(2) . 3_655
C15 Rh1 S1 157.4(2) . 3_655
C16 Rh1 S1 164.55(19) . 3_655
C12 Rh1 S2 159.9(2) . .
C11 Rh1 S2 157.47(19) . .
C15 Rh1 S2 99.58(17) . .
C16 Rh1 S2 103.74(17) . .
S1 Rh1 S2 79.52(5) 3_655 .
C12 Rh1 Rh2 109.7(2) . .
C11 Rh1 Rh2 133.9(2) . .
C15 Rh1 Rh2 111.81(19) . .
C16 Rh1 Rh2 142.56(17) . .
S1 Rh1 Rh2 50.37(4) 3_655 .
S2 Rh1 Rh2 50.87(4) . .
C19 Rh2 C24 82.8(3) . .
C19 Rh2 C20 38.2(3) . .
C24 Rh2 C20 98.8(3) . .
C19 Rh2 C23 88.8(3) . .
C24 Rh2 C23 37.9(3) . .
C20 Rh2 C23 80.8(3) . .
C19 Rh2 S1 88.96(18) . 3_655
C24 Rh2 S1 151.2(2) . 3_655
C20 Rh2 S1 91.3(2) . 3_655
C23 Rh2 S1 169.8(2) . 3_655
C19 Rh2 S2 156.6(2) . .
C24 Rh2 S2 96.8(2) . .
C20 Rh2 S2 160.7(2) . .
C23 Rh2 S2 105.4(2) . .
S1 Rh2 S2 80.18(5) 3_655 .
C19 Rh2 Rh1 106.2(2) . .
C24 Rh2 Rh1 105.1(2) . .
C20 Rh2 Rh1 133.5(2) . .
C23 Rh2 Rh1 139.0(2) . .
S1 Rh2 Rh1 51.07(4) 3_655 .
S2 Rh2 Rh1 51.14(4) . .
C36 P1 C30 105.4(3) . .
C36 P1 C27 105.9(3) . .
C30 P1 C27 102.9(3) . .
C36 P1 Pt1 113.5(2) . .
C30 P1 Pt1 112.82(18) . .
C27 P1 Pt1 115.34(18) . .
C42 P2 C29 105.8(3) . .
C42 P2 C48 105.1(3) . .
C29 P2 C48 104.3(3) . .
C42 P2 Pt1 113.27(19) . .
C29 P2 Pt1 115.2(2) . .
C48 P2 Pt1 112.25(19) . .
C3 S1 Rh2 110.72(19) . 3_655
C3 S1 Rh1 104.0(2) . 3_655
Rh2 S1 Rh1 78.56(5) 3_655 3_655
C8 S2 Rh2 116.6(2) . .
C8 S2 Rh1 122.71(19) . .
Rh2 S2 Rh1 77.99(4) . .
C1 N1 C5 117.4(5) . .
C1 N1 Pt1 122.6(4) . .
C5 N1 Pt1 119.9(4) . .
C6 N2 C10 118.8(5) . .
C6 N2 Pt1 122.0(4) . .
C10 N2 Pt1 119.1(4) . .
N1 C1 C2 122.3(6) . .
N1 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
C1 C2 C3 120.2(6) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C4 C3 C2 117.6(5) . .
C4 C3 S1 120.1(5) . .
C2 C3 S1 122.2(5) . .
C5 C4 C3 118.8(6) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
N1 C5 C4 123.7(6) . .
N1 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
N2 C6 C7 121.8(5) . .
N2 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
C6 C7 C8 120.9(6) . .
C6 C7 H7 119.5 . .
C8 C7 H7 119.5 . .
C9 C8 C7 116.3(5) . .
C9 C8 S2 118.8(4) . .
C7 C8 S2 124.9(4) . .
C8 C9 C10 120.5(6) . .
C8 C9 H9 119.8 . .
C10 C9 H9 119.8 . .
N2 C10 C9 121.6(5) . .
N2 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
C12 C11 C18 128.3(7) . .
C12 C11 Rh1 70.7(3) . .
C18 C11 Rh1 110.2(5) . .
C12 C11 H11 113.1 . .
C18 C11 H11 113.1 . .
Rh1 C11 H11 113.1 . .
C11 C12 C13 123.9(8) . .
C11 C12 Rh1 71.1(4) . .
C13 C12 Rh1 112.5(4) . .
C11 C12 H12 114.0 . .
C13 C12 H12 114.0 . .
Rh1 C12 H12 114.0 . .
C14 C13 C12 113.6(5) . .
C14 C13 H13A 108.8 . .
C12 C13 H13A 108.8 . .
C14 C13 H13B 108.8 . .
C12 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C13 C14 C15 114.3(5) . .
C13 C14 H14B 108.7 . .
C15 C14 H14B 108.7 . .
C13 C14 H14A 108.7 . .
C15 C14 H14A 108.7 . .
H14B C14 H14A 107.6 . .
C16 C15 C14 124.5(6) . .
C16 C15 Rh1 71.4(4) . .
C14 C15 Rh1 109.4(4) . .
C16 C15 H15 114.5 . .
C14 C15 H15 114.5 . .
Rh1 C15 H15 114.5 . .
C15 C16 C17 123.7(7) . .
C15 C16 Rh1 70.9(4) . .
C17 C16 Rh1 113.5(5) . .
C15 C16 H16 113.8 . .
C17 C16 H16 113.8 . .
Rh1 C16 H16 113.8 . .
C16 C17 C18 111.4(7) . .
C16 C17 H17B 109.3 . .
C18 C17 H17B 109.3 . .
C16 C17 H17A 109.3 . .
C18 C17 H17A 109.3 . .
H17B C17 H17A 108.0 . .
C11 C18 C17 112.2(6) . .
C11 C18 H18A 109.2 . .
C17 C18 H18A 109.2 . .
C11 C18 H18B 109.2 . .
C17 C18 H18B 109.2 . .
H18A C18 H18B 107.9 . .
C20 C19 C26 125.7(7) . .
C20 C19 Rh2 71.4(4) . .
C26 C19 Rh2 112.3(4) . .
C20 C19 H19 113.4 . .
C26 C19 H19 113.4 . .
Rh2 C19 H19 113.4 . .
C19 C20 C21 125.4(7) . .
C19 C20 Rh2 70.3(4) . .
C21 C20 Rh2 110.2(5) . .
C19 C20 H20 114.1 . .
C21 C20 H20 114.1 . .
Rh2 C20 H20 114.1 . .
C20 C21 C22 114.3(7) . .
C20 C21 H21B 108.7 . .
C22 C21 H21B 108.7 . .
C20 C21 H21A 108.7 . .
C22 C21 H21A 108.7 . .
H21B C21 H21A 107.6 . .
C21 C22 C23 110.5(7) . .
C21 C22 H22B 109.6 . .
C23 C22 H22B 109.6 . .
C21 C22 H22A 109.6 . .
C23 C22 H22A 109.6 . .
H22B C22 H22A 108.1 . .
C24 C23 C22 127.1(7) . .
C24 C23 Rh2 70.3(4) . .
C22 C23 Rh2 114.0(5) . .
C24 C23 H23 112.7 . .
C22 C23 H23 112.7 . .
Rh2 C23 H23 112.7 . .
C23 C24 C25 124.4(7) . .
C23 C24 Rh2 71.8(4) . .
C25 C24 Rh2 107.9(4) . .
C23 C24 H24 114.8 . .
C25 C24 H24 114.8 . .
Rh2 C24 H24 114.8 . .
C26 C25 C24 112.8(6) . .
C26 C25 H25A 109.0 . .
C24 C25 H25A 109.0 . .
C26 C25 H25B 109.0 . .
C24 C25 H25B 109.0 . .
H25A C25 H25B 107.8 . .
C19 C26 C25 112.9(6) . .
C19 C26 H26A 109.0 . .
C25 C26 H26A 109.0 . .
C19 C26 H26B 109.0 . .
C25 C26 H26B 109.0 . .
H26A C26 H26B 107.8 . .
C28 C27 P1 114.1(4) . .
C28 C27 H27A 108.7 . .
P1 C27 H27A 108.7 . .
C28 C27 H27B 108.7 . .
P1 C27 H27B 108.7 . .
H27A C27 H27B 107.6 . .
C27 C28 C29 112.1(5) . .
C27 C28 H28A 109.2 . .
C29 C28 H28A 109.2 . .
C27 C28 H28B 109.2 . .
C29 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
C28 C29 P2 113.3(4) . .
C28 C29 H29A 108.9 . .
P2 C29 H29A 108.9 . .
C28 C29 H29B 108.9 . .
P2 C29 H29B 108.9 . .
H29A C29 H29B 107.7 . .
C31 C30 C35 117.8(6) . .
C31 C30 P1 119.2(4) . .
C35 C30 P1 123.0(5) . .
C32 C31 C30 122.3(6) . .
C32 C31 H31 118.8 . .
C30 C31 H31 118.8 . .
C31 C32 C33 119.7(7) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C34 C33 C32 118.7(7) . .
C34 C33 H33 120.6 . .
C32 C33 H33 120.6 . .
C35 C34 C33 122.5(6) . .
C35 C34 H34 118.7 . .
C33 C34 H34 118.7 . .
C34 C35 C30 118.9(6) . .
C34 C35 H35 120.6 . .
C30 C35 H35 120.6 . .
C37 C36 C41 119.6(6) . .
C37 C36 P1 120.1(4) . .
C41 C36 P1 120.3(5) . .
C36 C37 C38 119.9(6) . .
C36 C37 H37 120.1 . .
C38 C37 H37 120.1 . .
C39 C38 C37 120.5(7) . .
C39 C38 H38 119.7 . .
C37 C38 H38 119.7 . .
C38 C39 C40 119.6(6) . .
C38 C39 H39 120.2 . .
C40 C39 H39 120.2 . .
C39 C40 C41 122.3(6) . .
C39 C40 H40 118.8 . .
C41 C40 H40 118.8 . .
C40 C41 C36 118.1(6) . .
C40 C41 H41 120.9 . .
C36 C41 H41 120.9 . .
C47 C42 C43 118.6(7) . .
C47 C42 P2 119.4(5) . .
C43 C42 P2 121.9(5) . .
C44 C43 C42 120.0(7) . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C43 C44 C45 120.2(7) . .
C43 C44 H44 119.9 . .
C45 C44 H44 119.9 . .
C46 C45 C44 119.9(8) . .
C46 C45 H45 120.1 . .
C44 C45 H45 120.1 . .
C45 C46 C47 119.7(8) . .
C45 C46 H46 120.1 . .
C47 C46 H46 120.1 . .
C46 C47 C42 121.5(7) . .
C46 C47 H47 119.3 . .
C42 C47 H47 119.3 . .
C53 C48 C49 120.8(6) . .
C53 C48 P2 121.2(5) . .
C49 C48 P2 118.1(5) . .
C50 C49 C48 118.7(8) . .
C50 C49 H49 120.6 . .
C48 C49 H49 120.6 . .
C51 C50 C49 120.8(8) . .
C51 C50 H50 119.6 . .
C49 C50 H50 119.6 . .
C50 C51 C52 120.6(6) . .
C50 C51 H51 119.7 . .
C52 C51 H51 119.7 . .
C51 C52 C53 120.1(8) . .
C51 C52 H52 119.9 . .
C53 C52 H52 119.9 . .
C48 C53 C52 119.0(7) . .
C48 C53 H53 120.5 . .
C52 C53 H53 120.5 . .
O1 S3 O3 115.9(3) . .
O1 S3 O2 111.2(3) . .
O3 S3 O2 113.9(3) . .
O1 S3 C54 106.1(4) . .
O3 S3 C54 107.7(4) . .
O2 S3 C54 100.4(4) . .
F3 C54 F1 106.3(7) . .
F3 C54 F2 103.7(7) . .
F1 C54 F2 102.5(7) . .
F3 C54 S3 117.3(7) . .
F1 C54 S3 115.9(6) . .
F2 C54 S3 109.5(6) . .
O5 S4A O6A 119.3(5) . .
O5 S4A O4 107.5(4) . .
O6A S4A O4 127.2(5) . .
O5 S4A C55A 96.8(5) . .
O6A S4A C55A 101.4(6) . .
O4 S4A C55A 95.7(5) . .
F5 C55A F6A 125.5(12) . .
F5 C55A F4 98.9(9) . .
F6A C55A F4 107.6(11) . .
F5 C55A S4A 107.1(8) . .
F6A C55A S4A 109.3(10) . .
F4 C55A S4A 106.7(8) . .
O6B S4B O4 132.7(6) . .
O6B S4B O5 115.2(6) . .
O4 S4B O5 104.6(4) . .
O6B S4B C55B 99.4(7) . .
O4 S4B C55B 96.5(5) . .
O5 S4B C55B 101.4(5) . .
F4 C55B F6B 112.1(11) . .
F4 C55B F5 103.7(10) . .
F6B C55B F5 116.5(10) . .
F4 C55B S4B 110.2(8) . .
F6B C55B S4B 110.5(9) . .
F5 C55B S4B 103.2(8) . .
S4B O4 S4A 47.7(2) . .
S4A O5 S4B 49.3(2) . .
Cl1 C56 Cl2 109.0(4) . .
Cl1 C56 H56A 109.9 . .
Cl2 C56 H56A 109.9 . .
Cl1 C56 H56B 109.9 . .
Cl2 C56 H56B 109.9 . .
H56A C56 H56B 108.3 . .
Cl4 C57 Cl3 107.3(10) . .
Cl4 C57 H57A 110.3 . .
Cl3 C57 H57A 110.3 . .
Cl4 C57 H57B 110.3 . .
Cl3 C57 H57B 110.3 . .
H57A C57 H57B 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N1 2.088(4) .
Pt1 N2 2.109(4) .
Pt1 P2 2.2628(15) .
Pt1 P1 2.2631(14) .
Rh1 C12 2.133(6) .
Rh1 C11 2.138(6) .
Rh1 C15 2.142(6) .
Rh1 C16 2.149(7) .
Rh1 S1 2.3707(17) 3_655
Rh1 S2 2.3781(14) .
Rh1 Rh2 2.9871(8) .
Rh2 C19 2.123(6) .
Rh2 C24 2.134(6) .
Rh2 C20 2.137(7) .
Rh2 C23 2.153(7) .
Rh2 S1 2.3474(16) 3_655
Rh2 S2 2.3688(17) .
P1 C36 1.808(6) .
P1 C30 1.810(6) .
P1 C27 1.824(5) .
P2 C42 1.809(7) .
P2 C29 1.818(6) .
P2 C48 1.831(6) .
S1 C3 1.772(6) .
S1 Rh2 2.3474(16) 3_655
S1 Rh1 2.3707(17) 3_655
S2 C8 1.767(5) .
N1 C1 1.335(8) .
N1 C5 1.337(7) .
N2 C6 1.335(7) .
N2 C10 1.344(7) .
C1 C2 1.366(8) .
C1 H1 0.9500 .
C2 C3 1.388(8) .
C2 H2 0.9500 .
C3 C4 1.376(9) .
C4 C5 1.373(8) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.370(7) .
C6 H6 0.9500 .
C7 C8 1.396(8) .
C7 H7 0.9500 .
C8 C9 1.384(8) .
C9 C10 1.386(7) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.399(10) .
C11 C18 1.503(11) .
C11 H11 1.0000 .
C12 C13 1.518(9) .
C12 H12 1.0000 .
C13 C14 1.511(9) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.515(9) .
C14 H14B 0.9900 .
C14 H14A 0.9900 .
C15 C16 1.388(9) .
C15 H15 1.0000 .
C16 C17 1.514(9) .
C16 H16 1.0000 .
C17 C18 1.535(10) .
C17 H17B 0.9900 .
C17 H17A 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.396(9) .
C19 C26 1.515(9) .
C19 H19 1.0000 .
C20 C21 1.496(11) .
C20 H20 1.0000 .
C21 C22 1.525(11) .
C21 H21B 0.9900 .
C21 H21A 0.9900 .
C22 C23 1.526(11) .
C22 H22B 0.9900 .
C22 H22A 0.9900 .
C23 C24 1.394(10) .
C23 H23 1.0000 .
C24 C25 1.528(9) .
C24 H24 1.0000 .
C25 C26 1.526(9) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.523(8) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.526(7) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.398(8) .
C30 C35 1.405(8) .
C31 C32 1.366(9) .
C31 H31 0.9500 .
C32 C33 1.380(9) .
C32 H32 0.9500 .
C33 C34 1.380(10) .
C33 H33 0.9500 .
C34 C35 1.377(10) .
C34 H34 0.9500 .
C35 H35 0.9500 .
C36 C37 1.375(9) .
C36 C41 1.435(8) .
C37 C38 1.415(8) .
C37 H37 0.9500 .
C38 C39 1.364(9) .
C38 H38 0.9500 .
C39 C40 1.377(10) .
C39 H39 0.9500 .
C40 C41 1.380(9) .
C40 H40 0.9500 .
C41 H41 0.9500 .
C42 C47 1.387(9) .
C42 C43 1.400(8) .
C43 C44 1.374(10) .
C43 H43 0.9500 .
C44 C45 1.411(11) .
C44 H44 0.9500 .
C45 C46 1.364(11) .
C45 H45 0.9500 .
C46 C47 1.385(10) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C48 C53 1.383(9) .
C48 C49 1.407(10) .
C49 C50 1.384(9) .
C49 H49 0.9500 .
C50 C51 1.374(12) .
C50 H50 0.9500 .
C51 C52 1.377(12) .
C51 H51 0.9500 .
C52 C53 1.403(8) .
C52 H52 0.9500 .
C53 H53 0.9500 .
S3 O1 1.426(4) .
S3 O3 1.427(5) .
S3 O2 1.495(5) .
S3 C54 1.715(9) .
C54 F3 1.327(9) .
C54 F1 1.341(10) .
C54 F2 1.432(11) .
S4A O5 1.421(5) .
S4A O6A 1.440(9) .
S4A O4 1.573(7) .
S4A C55A 1.837(13) .
C55A F5 1.308(13) .
C55A F6A 1.347(17) .
C55A F4 1.470(14) .
S4B O6B 1.437(13) .
S4B O4 1.502(7) .
S4B O5 1.551(6) .
S4B C55B 1.809(12) .
C55B F4 1.264(13) .
C55B F6B 1.359(16) .
C55B F5 1.422(13) .
C56 Cl1 1.756(8) .
C56 Cl2 1.800(9) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 Cl4 1.680(12) .
C57 Cl3 1.837(17) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
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_4
C12 Rh1 Rh2 C19 -0.7(3) . .
C11 Rh1 Rh2 C19 -36.2(3) . .
C15 Rh1 Rh2 C19 88.8(3) . .
C16 Rh1 Rh2 C19 117.3(4) . .
S1 Rh1 Rh2 C19 -74.98(18) 3_655 .
S2 Rh1 Rh2 C19 173.34(18) . .
C12 Rh1 Rh2 C24 -87.4(3) . .
C11 Rh1 Rh2 C24 -123.0(3) . .
C15 Rh1 Rh2 C24 2.0(3) . .
C16 Rh1 Rh2 C24 30.6(4) . .
S1 Rh1 Rh2 C24 -161.7(2) 3_655 .
S2 Rh1 Rh2 C24 86.6(2) . .
C12 Rh1 Rh2 C20 30.9(3) . .
C11 Rh1 Rh2 C20 -4.7(4) . .
C15 Rh1 Rh2 C20 120.4(3) . .
C16 Rh1 Rh2 C20 148.9(4) . .
S1 Rh1 Rh2 C20 -43.4(3) 3_655 .
S2 Rh1 Rh2 C20 -155.1(3) . .
C12 Rh1 Rh2 C23 -108.1(4) . .
C11 Rh1 Rh2 C23 -143.7(4) . .
C15 Rh1 Rh2 C23 -18.7(4) . .
C16 Rh1 Rh2 C23 9.9(4) . .
S1 Rh1 Rh2 C23 177.6(3) 3_655 .
S2 Rh1 Rh2 C23 65.9(3) . .
C12 Rh1 Rh2 S1 74.31(18) . 3_655
C11 Rh1 Rh2 S1 38.7(3) . 3_655
C15 Rh1 Rh2 S1 163.7(2) . 3_655
C16 Rh1 Rh2 S1 -167.7(3) . 3_655
S2 Rh1 Rh2 S1 -111.68(6) . 3_655
C12 Rh1 Rh2 S2 -174.01(18) . .
C11 Rh1 Rh2 S2 150.4(3) . .
C15 Rh1 Rh2 S2 -84.6(2) . .
C16 Rh1 Rh2 S2 -56.0(3) . .
S1 Rh1 Rh2 S2 111.68(6) 3_655 .
N1 Pt1 P1 C36 -88.7(2) . .
P2 Pt1 P1 C36 89.6(2) . .
N1 Pt1 P1 C30 31.1(3) . .
P2 Pt1 P1 C30 -150.6(2) . .
N1 Pt1 P1 C27 148.9(3) . .
P2 Pt1 P1 C27 -32.8(2) . .
N2 Pt1 P2 C42 91.7(2) . .
P1 Pt1 P2 C42 -88.0(2) . .
N2 Pt1 P2 C29 -146.3(3) . .
P1 Pt1 P2 C29 34.0(2) . .
N2 Pt1 P2 C48 -27.2(3) . .
P1 Pt1 P2 C48 153.1(3) . .
C19 Rh2 S2 C8 104.5(5) . .
C24 Rh2 S2 C8 16.9(3) . .
C20 Rh2 S2 C8 -127.2(6) . .
C23 Rh2 S2 C8 -20.9(3) . .
S1 Rh2 S2 C8 167.9(2) 3_655 .
Rh1 Rh2 S2 C8 120.8(2) . .
C19 Rh2 S2 Rh1 -16.3(4) . .
C24 Rh2 S2 Rh1 -103.9(2) . .
C20 Rh2 S2 Rh1 112.0(6) . .
C23 Rh2 S2 Rh1 -141.6(2) . .
S1 Rh2 S2 Rh1 47.19(5) 3_655 .
C12 Rh1 S2 C8 -97.4(6) . .
C11 Rh1 S2 C8 134.1(7) . .
C15 Rh1 S2 C8 -3.6(3) . .
C16 Rh1 S2 C8 34.7(3) . .
S1 Rh1 S2 C8 -160.7(3) 3_655 .
Rh2 Rh1 S2 C8 -114.0(3) . .
C12 Rh1 S2 Rh2 16.6(5) . .
C11 Rh1 S2 Rh2 -111.9(6) . .
C15 Rh1 S2 Rh2 110.4(2) . .
C16 Rh1 S2 Rh2 148.7(2) . .
S1 Rh1 S2 Rh2 -46.71(5) 3_655 .
N2 Pt1 N1 C1 85.5(4) . .
P1 Pt1 N1 C1 -94.6(4) . .
N2 Pt1 N1 C5 -91.6(4) . .
P1 Pt1 N1 C5 88.3(4) . .
N1 Pt1 N2 C6 -96.8(5) . .
P2 Pt1 N2 C6 84.9(4) . .
N1 Pt1 N2 C10 78.7(4) . .
P2 Pt1 N2 C10 -99.6(4) . .
C5 N1 C1 C2 -1.6(8) . .
Pt1 N1 C1 C2 -178.7(4) . .
N1 C1 C2 C3 0.9(9) . .
C1 C2 C3 C4 0.2(8) . .
C1 C2 C3 S1 -175.6(4) . .
Rh2 S1 C3 C4 127.6(4) 3_655 .
Rh1 S1 C3 C4 44.7(5) 3_655 .
Rh2 S1 C3 C2 -56.7(5) 3_655 .
Rh1 S1 C3 C2 -139.6(4) 3_655 .
C2 C3 C4 C5 -0.4(8) . .
S1 C3 C4 C5 175.4(5) . .
C1 N1 C5 C4 1.3(9) . .
Pt1 N1 C5 C4 178.5(5) . .
C3 C4 C5 N1 -0.3(9) . .
C10 N2 C6 C7 2.3(9) . .
Pt1 N2 C6 C7 177.7(5) . .
N2 C6 C7 C8 0.0(9) . .
C6 C7 C8 C9 -2.1(9) . .
C6 C7 C8 S2 -179.1(5) . .
Rh2 S2 C8 C9 59.3(5) . .
Rh1 S2 C8 C9 151.9(4) . .
Rh2 S2 C8 C7 -123.8(5) . .
Rh1 S2 C8 C7 -31.2(6) . .
C7 C8 C9 C10 2.0(9) . .
S2 C8 C9 C10 179.2(5) . .
C6 N2 C10 C9 -2.3(9) . .
Pt1 N2 C10 C9 -177.9(5) . .
C8 C9 C10 N2 0.1(9) . .
C15 Rh1 C11 C12 -67.7(5) . .
C16 Rh1 C11 C12 -101.9(5) . .
S1 Rh1 C11 C12 91.0(4) 3_655 .
S2 Rh1 C11 C12 154.2(5) . .
Rh2 Rh1 C11 C12 62.2(5) . .
C12 Rh1 C11 C18 124.8(7) . .
C15 Rh1 C11 C18 57.1(5) . .
C16 Rh1 C11 C18 22.9(5) . .
S1 Rh1 C11 C18 -144.2(5) 3_655 .
S2 Rh1 C11 C18 -81.0(8) . .
Rh2 Rh1 C11 C18 -173.0(4) . .
C18 C11 C12 C13 3.9(10) . .
Rh1 C11 C12 C13 104.9(6) . .
C18 C11 C12 Rh1 -101.0(7) . .
C15 Rh1 C12 C11 112.1(5) . .
C16 Rh1 C12 C11 75.1(5) . .
S1 Rh1 C12 C11 -89.5(4) 3_655 .
S2 Rh1 C12 C11 -151.0(5) . .
Rh2 Rh1 C12 C11 -137.4(4) . .
C11 Rh1 C12 C13 -119.7(9) . .
C15 Rh1 C12 C13 -7.6(6) . .
C16 Rh1 C12 C13 -44.7(6) . .
S1 Rh1 C12 C13 150.7(6) 3_655 .
S2 Rh1 C12 C13 89.2(8) . .
Rh2 Rh1 C12 C13 102.9(6) . .
C11 C12 C13 C14 -89.1(9) . .
Rh1 C12 C13 C14 -7.5(10) . .
C12 C13 C14 C15 26.0(11) . .
C13 C14 C15 C16 48.9(10) . .
C13 C14 C15 Rh1 -31.3(8) . .
C12 Rh1 C15 C16 -100.1(4) . .
C11 Rh1 C15 C16 -64.8(4) . .
S1 Rh1 C15 C16 -174.2(3) 3_655 .
S2 Rh1 C15 C16 100.1(3) . .
Rh2 Rh1 C15 C16 151.7(3) . .
C12 Rh1 C15 C14 20.8(5) . .
C11 Rh1 C15 C14 56.1(6) . .
C16 Rh1 C15 C14 121.0(7) . .
S1 Rh1 C15 C14 -53.2(7) 3_655 .
S2 Rh1 C15 C14 -138.9(5) . .
Rh2 Rh1 C15 C14 -87.4(5) . .
C14 C15 C16 C17 4.9(11) . .
Rh1 C15 C16 C17 106.0(7) . .
C14 C15 C16 Rh1 -101.2(6) . .
C12 Rh1 C16 C15 77.3(4) . .
C11 Rh1 C16 C15 114.6(4) . .
S1 Rh1 C16 C15 171.6(5) 3_655 .
S2 Rh1 C16 C15 -87.9(4) . .
Rh2 Rh1 C16 C15 -46.5(5) . .
C12 Rh1 C16 C17 -42.0(6) . .
C11 Rh1 C16 C17 -4.7(6) . .
C15 Rh1 C16 C17 -119.3(7) . .
S1 Rh1 C16 C17 52.3(10) 3_655 .
S2 Rh1 C16 C17 152.8(5) . .
Rh2 Rh1 C16 C17 -165.8(4) . .
C15 C16 C17 C18 -96.1(9) . .
Rh1 C16 C17 C18 -14.1(9) . .
C12 C11 C18 C17 43.3(10) . .
Rh1 C11 C18 C17 -37.6(7) . .
C16 C17 C18 C11 33.9(9) . .
C24 Rh2 C19 C20 -114.2(5) . .
C23 Rh2 C19 C20 -76.6(5) . .
S1 Rh2 C19 C20 93.4(4) 3_655 .
S2 Rh2 C19 C20 155.3(4) . .
Rh1 Rh2 C19 C20 142.1(4) . .
C24 Rh2 C19 C26 7.6(5) . .
C20 Rh2 C19 C26 121.8(7) . .
C23 Rh2 C19 C26 45.2(6) . .
S1 Rh2 C19 C26 -144.7(5) 3_655 .
S2 Rh2 C19 C26 -82.9(7) . .
Rh1 Rh2 C19 C26 -96.0(5) . .
C26 C19 C20 C21 -3.2(11) . .
Rh2 C19 C20 C21 101.3(7) . .
C26 C19 C20 Rh2 -104.5(6) . .
C24 Rh2 C20 C19 66.3(4) . .
C23 Rh2 C20 C19 99.8(5) . .
S1 Rh2 C20 C19 -86.7(4) 3_655 .
S2 Rh2 C20 C19 -149.8(5) . .
Rh1 Rh2 C20 C19 -54.4(5) . .
C19 Rh2 C20 C21 -121.6(7) . .
C24 Rh2 C20 C21 -55.3(6) . .
C23 Rh2 C20 C21 -21.8(6) . .
S1 Rh2 C20 C21 151.7(5) 3_655 .
S2 Rh2 C20 C21 88.6(8) . .
Rh1 Rh2 C20 C21 -176.0(4) . .
C19 C20 C21 C22 -43.9(11) . .
Rh2 C20 C21 C22 35.9(9) . .
C20 C21 C22 C23 -31.4(11) . .
C21 C22 C23 C24 94.7(10) . .
C21 C22 C23 Rh2 12.0(10) . .
C19 Rh2 C23 C24 -79.9(4) . .
C20 Rh2 C23 C24 -117.5(5) . .
S1 Rh2 C23 C24 -157.0(10) 3_655 .
S2 Rh2 C23 C24 81.2(4) . .
Rh1 Rh2 C23 C24 33.7(6) . .
C19 Rh2 C23 C22 42.9(6) . .
C24 Rh2 C23 C22 122.8(8) . .
C20 Rh2 C23 C22 5.3(6) . .
S1 Rh2 C23 C22 -34.2(16) 3_655 .
S2 Rh2 C23 C22 -156.0(6) . .
Rh1 Rh2 C23 C22 156.5(5) . .
C22 C23 C24 C25 -6.2(11) . .
Rh2 C23 C24 C25 99.5(6) . .
C22 C23 C24 Rh2 -105.7(7) . .
C19 Rh2 C24 C23 97.3(5) . .
C20 Rh2 C24 C23 62.4(5) . .
S1 Rh2 C24 C23 171.7(4) 3_655 .
S2 Rh2 C24 C23 -106.3(4) . .
Rh1 Rh2 C24 C23 -157.8(4) . .
C19 Rh2 C24 C25 -24.0(5) . .
C20 Rh2 C24 C25 -58.8(6) . .
C23 Rh2 C24 C25 -121.2(7) . .
S1 Rh2 C24 C25 50.5(8) 3_655 .
S2 Rh2 C24 C25 132.4(5) . .
Rh1 Rh2 C24 C25 80.9(5) . .
C23 C24 C25 C26 -42.7(10) . .
Rh2 C24 C25 C26 37.0(8) . .
C20 C19 C26 C25 93.4(9) . .
Rh2 C19 C26 C25 10.9(8) . .
C24 C25 C26 C19 -32.2(10) . .
C36 P1 C27 C28 -71.2(5) . .
C30 P1 C27 C28 178.4(4) . .
Pt1 P1 C27 C28 55.2(5) . .
P1 C27 C28 C29 -75.3(6) . .
C27 C28 C29 P2 76.5(6) . .
C42 P2 C29 C28 68.4(5) . .
C48 P2 C29 C28 179.0(5) . .
Pt1 P2 C29 C28 -57.5(5) . .
C36 P1 C30 C31 -169.8(4) . .
C27 P1 C30 C31 -59.1(5) . .
Pt1 P1 C30 C31 65.8(4) . .
C36 P1 C30 C35 8.6(6) . .
C27 P1 C30 C35 119.4(5) . .
Pt1 P1 C30 C35 -115.7(5) . .
C35 C30 C31 C32 -0.8(8) . .
P1 C30 C31 C32 177.8(4) . .
C30 C31 C32 C33 0.8(9) . .
C31 C32 C33 C34 -1.1(10) . .
C32 C33 C34 C35 1.4(11) . .
C33 C34 C35 C30 -1.3(11) . .
C31 C30 C35 C34 1.0(9) . .
P1 C30 C35 C34 -177.5(5) . .
C30 P1 C36 C37 -115.7(5) . .
C27 P1 C36 C37 135.8(5) . .
Pt1 P1 C36 C37 8.3(5) . .
C30 P1 C36 C41 61.3(5) . .
C27 P1 C36 C41 -47.3(5) . .
Pt1 P1 C36 C41 -174.8(4) . .
C41 C36 C37 C38 0.6(9) . .
P1 C36 C37 C38 177.6(5) . .
C36 C37 C38 C39 -1.2(9) . .
C37 C38 C39 C40 1.4(10) . .
C38 C39 C40 C41 -1.1(10) . .
C39 C40 C41 C36 0.5(9) . .
C37 C36 C41 C40 -0.2(8) . .
P1 C36 C41 C40 -177.2(5) . .
C29 P2 C42 C47 -142.3(5) . .
C48 P2 C42 C47 107.7(5) . .
Pt1 P2 C42 C47 -15.3(6) . .
C29 P2 C42 C43 38.2(5) . .
C48 P2 C42 C43 -71.8(5) . .
Pt1 P2 C42 C43 165.3(4) . .
C47 C42 C43 C44 0.5(9) . .
P2 C42 C43 C44 179.9(5) . .
C42 C43 C44 C45 1.6(10) . .
C43 C44 C45 C46 -2.3(11) . .
C44 C45 C46 C47 0.9(12) . .
C45 C46 C47 C42 1.2(12) . .
C43 C42 C47 C46 -1.9(10) . .
P2 C42 C47 C46 178.7(6) . .
C42 P2 C48 C53 -19.8(5) . .
C29 P2 C48 C53 -130.9(5) . .
Pt1 P2 C48 C53 103.8(5) . .
C42 P2 C48 C49 160.9(4) . .
C29 P2 C48 C49 49.8(5) . .
Pt1 P2 C48 C49 -75.5(5) . .
C53 C48 C49 C50 0.6(9) . .
P2 C48 C49 C50 179.9(5) . .
C48 C49 C50 C51 -1.1(9) . .
C49 C50 C51 C52 0.6(10) . .
C50 C51 C52 C53 0.4(10) . .
C49 C48 C53 C52 0.4(8) . .
P2 C48 C53 C52 -178.9(4) . .
C51 C52 C53 C48 -0.9(9) . .
O1 S3 C54 F3 179.9(7) . .
O3 S3 C54 F3 -55.4(8) . .
O2 S3 C54 F3 64.0(8) . .
O1 S3 C54 F1 52.8(8) . .
O3 S3 C54 F1 177.5(6) . .
O2 S3 C54 F1 -63.1(8) . .
O1 S3 C54 F2 -62.4(7) . .
O3 S3 C54 F2 62.3(7) . .
O2 S3 C54 F2 -178.3(6) . .
O5 S4A C55A F5 -78.5(9) . .
O6A S4A C55A F5 43.3(10) . .
O4 S4A C55A F5 173.1(8) . .
O5 S4A C55A F6A 60.2(10) . .
O6A S4A C55A F6A -177.9(10) . .
O4 S4A C55A F6A -48.2(10) . .
O5 S4A C55A F4 176.3(7) . .
O6A S4A C55A F4 -61.9(9) . .
O4 S4A C55A F4 67.9(8) . .
O6B S4B C55B F4 59.3(10) . .
O4 S4B C55B F4 -76.1(9) . .
O5 S4B C55B F4 177.6(8) . .
O6B S4B C55B F6B -176.2(10) . .
O4 S4B C55B F6B 48.4(10) . .
O5 S4B C55B F6B -57.9(9) . .
O6B S4B C55B F5 -51.0(9) . .
O4 S4B C55B F5 173.7(7) . .
O5 S4B C55B F5 67.3(8) . .
F6B C55B F4 C55A -170.7(19) . .
F5 C55B F4 C55A 62.7(13) . .
S4B C55B F4 C55A -47.2(10) . .
F5 C55A F4 C55B -71.8(14) . .
F6A C55A F4 C55B 156.4(18) . .
S4A C55A F4 C55B 39.2(10) . .
F6A C55A F5 C55B 175(2) . .
F4 C55A F5 C55B 56.0(12) . .
S4A C55A F5 C55B -54.7(11) . .
F4 C55B F5 C55A -78.6(15) . .
F6B C55B F5 C55A 157.7(19) . .
S4B C55B F5 C55A 36.4(11) . .
O6B S4B O4 S4A -163.7(9) . .
O5 S4B O4 S4A 49.2(3) . .
C55B S4B O4 S4A -54.5(5) . .
O5 S4A O4 S4B -56.9(4) . .
O6A S4A O4 S4B 151.1(7) . .
C55A S4A O4 S4B 42.1(5) . .
O6A S4A O5 S4B -153.1(6) . .
O4 S4A O5 S4B 52.3(4) . .
C55A S4A O5 S4B -45.9(5) . .
O6B S4B O5 S4A 151.3(7) . .
O4 S4B O5 S4A -54.8(4) . .
C55B S4B O5 S4A 45.1(5) . .
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 -0.002 0.005 0.000 691 302 ' '
2 -0.019 0.511 0.500 691 302 ' '
