#------------------------------------------------------------------------------
#$Date: 2018-08-16 20:05:07 +0300 (Thu, 16 Aug 2018) $
#$Revision: 209819 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/09/4060917.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_4060917
loop_
_publ_author_name
'Yeo, Wee-Chuan'
'Vittal, Jagadese J.'
'Koh, Lip Lin'
'Tan, Geok Kheng'
'Leung, Pak-Hing'
_publ_section_title
;
 Functionalization of Metal-Protected Chiral Phosphines via Simple Organic
 Transformations
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1259
_journal_page_last               1269
_journal_paper_doi               10.1021/om0509645
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C50 H47 B Cl F4 N O P2 Pt Se'
_chemical_formula_weight         1136.14
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   21.6188(5)
_cell_length_b                   21.6188(5)
_cell_length_c                   54.139(3)
_cell_measurement_temperature    223(2)
_cell_volume                     21913.3(13)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.550
_cod_duplicate_entry             4074872
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               4060917
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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 0.282104(12) 0.094154(12) 0.833275(5) 0.03481(7) Uani 1 1 d . . .
Se1 Se 0.33176(6) 0.25854(6) 0.940845(18) 0.0770(3) Uani 1 1 d . . .
Cl1 Cl 0.47522(10) 0.36342(10) 0.87961(4) 0.0644(5) Uani 1 1 d . . .
P1 P 0.30301(9) 0.20213(9) 0.84975(3) 0.0361(4) Uani 1 1 d . . .
P2 P 0.38901(8) 0.12278(9) 0.84941(3) 0.0363(4) Uani 1 1 d . . .
O22 O 0.3320(2) 0.1659(2) 0.89449(8) 0.0453(11) Uani 1 1 d . . .
N12 N 0.1813(3) 0.0631(3) 0.81583(12) 0.0423(14) Uani 1 1 d . . .
C1 C 0.2553(3) -0.0063(3) 0.82003(13) 0.0392(15) Uani 1 1 d . . .
C2 C 0.2839(4) -0.0507(4) 0.82793(15) 0.0500(18) Uani 1 1 d . . .
H2 H 0.3223 -0.0328 0.8391 0.060 Uiso 1 1 calc R . .
C3 C 0.2545(4) -0.1195(4) 0.81904(16) 0.056(2) Uani 1 1 d . . .
H3 H 0.2752 -0.1470 0.8237 0.068 Uiso 1 1 calc R . .
C4 C 0.1950(4) -0.1501(4) 0.80328(15) 0.0516(18) Uani 1 1 d . . .
C5 C 0.1618(5) -0.2221(4) 0.79576(19) 0.071(3) Uani 1 1 d . . .
H5 H 0.1790 -0.2514 0.8018 0.086 Uiso 1 1 calc R . .
C6 C 0.1055(5) -0.2502(5) 0.7800(2) 0.076(3) Uani 1 1 d . . .
H6 H 0.0855 -0.2978 0.7746 0.091 Uiso 1 1 calc R . .
C7 C 0.0776(5) -0.2079(5) 0.77172(18) 0.067(2) Uani 1 1 d . . .
H7 H 0.0377 -0.2279 0.7612 0.080 Uiso 1 1 calc R . .
C8 C 0.1072(4) -0.1377(4) 0.77874(15) 0.0504(18) Uani 1 1 d . . .
H8 H 0.0879 -0.1100 0.7728 0.060 Uiso 1 1 calc R . .
C9 C 0.1669(3) -0.1065(4) 0.79505(13) 0.0415(16) Uani 1 1 d . . .
C10 C 0.1991(3) -0.0341(3) 0.80376(13) 0.0410(16) Uani 1 1 d . . .
C11 C 0.1735(4) 0.0148(4) 0.79440(14) 0.0447(16) Uani 1 1 d . . .
H11 H 0.1224 -0.0139 0.7898 0.054 Uiso 1 1 calc R . .
C13 C 0.2159(5) 0.0549(4) 0.77228(15) 0.064(2) Uani 1 1 d . . .
H13A H 0.1945 0.0806 0.7649 0.095 Uiso 1 1 calc R . .
H13B H 0.2163 0.0215 0.7604 0.095 Uiso 1 1 calc R . .
H13C H 0.2645 0.0885 0.7773 0.095 Uiso 1 1 calc R . .
C15 C 0.1237(4) 0.0225(4) 0.83403(15) 0.0501(18) Uani 1 1 d . . .
H15A H 0.1316 0.0517 0.8486 0.075 Uiso 1 1 calc R . .
H15B H 0.1239 -0.0207 0.8386 0.075 Uiso 1 1 calc R . .
H15C H 0.0779 0.0101 0.8268 0.075 Uiso 1 1 calc R . .
C14 C 0.1718(4) 0.1235(4) 0.80647(17) 0.060(2) Uani 1 1 d . . .
H14A H 0.1288 0.1043 0.7965 0.089 Uiso 1 1 calc R . .
H14B H 0.2128 0.1554 0.7965 0.089 Uiso 1 1 calc R . .
H14C H 0.1678 0.1496 0.8204 0.089 Uiso 1 1 calc R . .
C16 C 0.3648(4) 0.2193(4) 0.87567(13) 0.0403(16) Uani 1 1 d . . .
C17 C 0.4280(3) 0.2063(4) 0.86802(13) 0.0426(16) Uani 1 1 d . . .
H17 H 0.4652 0.2474 0.8586 0.051 Uiso 1 1 calc R . .
C18 C 0.4550(4) 0.2021(4) 0.89381(14) 0.0539(19) Uani 1 1 d . . .
H18A H 0.4998 0.2458 0.8977 0.065 Uiso 1 1 calc R . .
H18B H 0.4621 0.1610 0.8952 0.065 Uiso 1 1 calc R . .
C19 C 0.3937(4) 0.1937(4) 0.91061(14) 0.0510(18) Uani 1 1 d . . .
H19 H 0.3864 0.1638 0.9254 0.061 Uiso 1 1 calc R . .
C20 C 0.4052(4) 0.2670(5) 0.91652(15) 0.0574(19) Uani 1 1 d . . .
H20 H 0.4542 0.2993 0.9226 0.069 Uiso 1 1 calc R . .
C21 C 0.3938(4) 0.2892(4) 0.89081(14) 0.0473(17) Uani 1 1 d . . .
H21 H 0.3566 0.3031 0.8918 0.057 Uiso 1 1 calc R . .
C23 C 0.2291(3) 0.2089(4) 0.86300(14) 0.0432(16) Uani 1 1 d . . .
C24 C 0.1935(4) 0.1671(4) 0.88342(15) 0.057(2) Uani 1 1 d . . .
H24 H 0.2103 0.1388 0.8908 0.069 Uiso 1 1 calc R . .
C25 C 0.1347(4) 0.1663(5) 0.89300(17) 0.069(2) Uani 1 1 d . . .
H25 H 0.1097 0.1359 0.9063 0.083 Uiso 1 1 calc R . .
C26 C 0.1119(5) 0.2110(6) 0.88294(18) 0.074(3) Uani 1 1 d . . .
H26 H 0.0733 0.2129 0.8901 0.088 Uiso 1 1 calc R . .
C27 C 0.1457(5) 0.2521(5) 0.8627(2) 0.072(3) Uani 1 1 d . . .
H27 H 0.1291 0.2808 0.8556 0.087 Uiso 1 1 calc R . .
C28 C 0.2042(4) 0.2515(4) 0.85254(16) 0.0543(19) Uani 1 1 d . . .
H28 H 0.2271 0.2797 0.8386 0.065 Uiso 1 1 calc R . .
C29 C 0.3552(4) 0.2814(3) 0.83051(14) 0.0437(16) Uani 1 1 d . . .
C30 C 0.3895(4) 0.2745(4) 0.81019(14) 0.0494(18) Uani 1 1 d . . .
H30 H 0.3821 0.2294 0.8055 0.059 Uiso 1 1 calc R . .
C31 C 0.4352(4) 0.3348(4) 0.79677(16) 0.061(2) Uani 1 1 d . . .
H31 H 0.4599 0.3303 0.7832 0.074 Uiso 1 1 calc R . .
C32 C 0.4452(4) 0.3991(4) 0.80247(16) 0.062(2) Uani 1 1 d . . .
H32 H 0.4759 0.4389 0.7928 0.075 Uiso 1 1 calc R . .
C33 C 0.4105(5) 0.4072(4) 0.82262(17) 0.063(2) Uani 1 1 d . . .
H33 H 0.4173 0.4524 0.8268 0.076 Uiso 1 1 calc R . .
C34 C 0.3658(4) 0.3483(4) 0.83641(15) 0.0461(17) Uani 1 1 d . . .
H34 H 0.3421 0.3534 0.8501 0.055 Uiso 1 1 calc R . .
C35 C 0.4574(3) 0.1437(3) 0.82580(13) 0.0394(15) Uani 1 1 d . . .
C36 C 0.4370(4) 0.1153(4) 0.80248(15) 0.057(2) Uani 1 1 d . . .
H36 H 0.3886 0.0833 0.7990 0.069 Uiso 1 1 calc R . .
C37 C 0.4881(5) 0.1343(5) 0.78421(17) 0.071(2) Uani 1 1 d . . .
H37 H 0.4744 0.1145 0.7683 0.085 Uiso 1 1 calc R . .
C38 C 0.5578(6) 0.1812(5) 0.7890(2) 0.075(3) Uani 1 1 d . . .
H38 H 0.5919 0.1945 0.7764 0.090 Uiso 1 1 calc R . .
C39 C 0.5788(5) 0.2092(5) 0.8122(2) 0.079(3) Uani 1 1 d . . .
H39 H 0.6272 0.2415 0.8155 0.095 Uiso 1 1 calc R . .
C40 C 0.5286(4) 0.1898(4) 0.83079(18) 0.057(2) Uani 1 1 d . . .
H40 H 0.5429 0.2081 0.8468 0.068 Uiso 1 1 calc R . .
C41 C 0.3886(4) 0.0553(4) 0.86936(14) 0.0451(17) Uani 1 1 d . . .
C42 C 0.4420(4) 0.0368(4) 0.86809(19) 0.066(2) Uani 1 1 d . . .
H42 H 0.4807 0.0612 0.8572 0.079 Uiso 1 1 calc R . .
C43 C 0.4376(5) -0.0173(5) 0.8828(2) 0.088(3) Uani 1 1 d . . .
H43 H 0.4732 -0.0301 0.8818 0.106 Uiso 1 1 calc R . .
C44 C 0.3816(6) -0.0525(6) 0.8988(2) 0.103(4) Uani 1 1 d . . .
H44 H 0.3792 -0.0894 0.9087 0.124 Uiso 1 1 calc R . .
C45 C 0.3288(6) -0.0349(5) 0.9007(2) 0.083(3) Uani 1 1 d . . .
H45 H 0.2912 -0.0590 0.9120 0.100 Uiso 1 1 calc R . .
C46 C 0.3317(4) 0.0190(4) 0.88573(17) 0.062(2) Uani 1 1 d . . .
H46 H 0.2954 0.0308 0.8866 0.074 Uiso 1 1 calc R . .
C47 C 0.3339(5) 0.3445(5) 0.93242(16) 0.065(2) Uani 1 1 d . . .
C48 C 0.2780(6) 0.3418(6) 0.9195(3) 0.097(4) Uani 1 1 d . . .
H48 H 0.2373 0.2977 0.9158 0.116 Uiso 1 1 calc R . .
C49 C 0.2830(8) 0.4076(8) 0.9117(3) 0.124(5) Uani 1 1 d . . .
H49 H 0.2446 0.4066 0.9032 0.149 Uiso 1 1 calc R . .
C50 C 0.3442(8) 0.4732(7) 0.9166(3) 0.117(4) Uani 1 1 d . . .
H50 H 0.3492 0.5160 0.9103 0.140 Uiso 1 1 calc R . .
C51 C 0.3966(6) 0.4734(6) 0.9308(2) 0.094(3) Uani 1 1 d . . .
H51 H 0.4364 0.5172 0.9355 0.113 Uiso 1 1 calc R . .
C52 C 0.3920(5) 0.4100(5) 0.9385(2) 0.082(3) Uani 1 1 d . . .
H52 H 0.4291 0.4116 0.9480 0.098 Uiso 1 1 calc R . .
Pt1A Pt 1.015096(12) 0.384412(13) 0.676653(5) 0.03770(7) Uani 1 1 d . . .
Se1A Se 0.99697(5) 0.67818(4) 0.669650(16) 0.0605(2) Uani 1 1 d . . .
Cl1A Cl 0.95618(11) 0.56161(11) 0.73876(4) 0.0574(5) Uani 1 1 d . . .
P1A P 1.05311(9) 0.49357(9) 0.69461(4) 0.0402(4) Uani 1 1 d . . .
P2A P 0.90427(8) 0.36323(8) 0.68371(3) 0.0351(4) Uani 1 1 d . . .
O22A O 0.9609(2) 0.5197(2) 0.66909(8) 0.0380(10) Uiso 1 1 d . . .
N12A N 1.1174(3) 0.3904(3) 0.67434(14) 0.0532(17) Uani 1 1 d . . .
C1A C 0.9890(3) 0.2944(4) 0.65585(13) 0.0425(16) Uani 1 1 d . . .
C2A C 0.9332(4) 0.2585(4) 0.63881(15) 0.0478(18) Uani 1 1 d . . .
H2A H 0.8968 0.2700 0.6379 0.057 Uiso 1 1 calc R . .
C3A C 0.9307(4) 0.2069(4) 0.62345(15) 0.0478(17) Uani 1 1 d . . .
H3A H 0.8948 0.1866 0.6114 0.057 Uiso 1 1 calc R . .
C4A C 0.9813(4) 0.1835(3) 0.62539(14) 0.0458(17) Uani 1 1 d . . .
C5A C 0.9785(4) 0.1294(3) 0.60994(14) 0.0512(19) Uani 1 1 d . . .
H5A H 0.9424 0.1078 0.5980 0.061 Uiso 1 1 calc R . .
C6A C 1.0286(5) 0.1087(4) 0.61250(17) 0.060(2) Uani 1 1 d . . .
H6A H 1.0271 0.0735 0.6019 0.072 Uiso 1 1 calc R . .
C7A C 1.0812(5) 0.1383(4) 0.63022(18) 0.062(2) Uani 1 1 d . . .
H7A H 1.1138 0.1219 0.6321 0.074 Uiso 1 1 calc R . .
C8A C 1.0856(4) 0.1919(4) 0.64512(16) 0.0509(19) Uani 1 1 d . . .
H8A H 1.1222 0.2126 0.6570 0.061 Uiso 1 1 calc R . .
C9A C 1.0370(4) 0.2165(3) 0.64303(15) 0.0469(17) Uani 1 1 d . . .
C10A C 1.0406(3) 0.2731(3) 0.65752(14) 0.0426(17) Uani 1 1 d . . .
C11A C 1.0996(4) 0.3127(4) 0.67548(17) 0.054(2) Uani 1 1 d . . .
H11A H 1.1419 0.3100 0.6700 0.065 Uiso 1 1 calc R . .
C13A C 1.0802(5) 0.2829(4) 0.70153(17) 0.064(2) Uani 1 1 d . . .
H13D H 1.0459 0.2945 0.7085 0.097 Uiso 1 1 calc R . .
H13E H 1.1229 0.3037 0.7117 0.097 Uiso 1 1 calc R . .
H13F H 1.0596 0.2314 0.7011 0.097 Uiso 1 1 calc R . .
C14A C 1.1703(4) 0.4330(5) 0.6940(2) 0.070(3) Uani 1 1 d . . .
H14D H 1.2107 0.4252 0.6931 0.105 Uiso 1 1 calc R . .
H14E H 1.1479 0.4181 0.7101 0.105 Uiso 1 1 calc R . .
H14F H 1.1866 0.4833 0.6916 0.105 Uiso 1 1 calc R . .
C15A C 1.1495(4) 0.4197(4) 0.64967(19) 0.067(3) Uani 1 1 d . . .
H15D H 1.1574 0.4678 0.6480 0.100 Uiso 1 1 calc R . .
H15E H 1.1172 0.3897 0.6368 0.100 Uiso 1 1 calc R . .
H15F H 1.1947 0.4207 0.6482 0.100 Uiso 1 1 calc R . .
C16A C 0.9761(3) 0.5088(3) 0.69386(13) 0.0388(15) Uani 1 1 d . . .
C17A C 0.9043(3) 0.4400(3) 0.70031(13) 0.0363(15) Uani 1 1 d . . .
H17A H 0.8991 0.4318 0.7184 0.044 Uiso 1 1 calc R . .
C18A C 0.8515(3) 0.4623(3) 0.69052(14) 0.0411(16) Uani 1 1 d . . .
H18C H 0.8292 0.4742 0.7041 0.049 Uiso 1 1 calc R . .
H18D H 0.8142 0.4245 0.6804 0.049 Uiso 1 1 calc R . .
C19A C 0.9007(3) 0.5293(3) 0.67477(14) 0.0432(16) Uani 1 1 d . . .
H19A H 0.8770 0.5350 0.6600 0.052 Uiso 1 1 calc R . .
C20A C 0.9381(4) 0.5961(3) 0.69079(13) 0.0434(16) Uani 1 1 d . . .
H20A H 0.9038 0.6033 0.7007 0.052 Uiso 1 1 calc R . .
C21A C 0.9852(4) 0.5775(4) 0.70708(13) 0.0409(16) Uani 1 1 d . . .
H21A H 1.0357 0.6162 0.7062 0.049 Uiso 1 1 calc R . .
C29A C 1.0761(4) 0.5022(4) 0.72694(16) 0.0546(19) Uani 1 1 d . . .
C30A C 1.0521(5) 0.4387(5) 0.74011(18) 0.070(2) Uani 1 1 d . . .
H30A H 1.0262 0.3946 0.7319 0.083 Uiso 1 1 calc R . .
C31A C 1.0662(6) 0.4401(7) 0.7655(2) 0.097(3) Uani 1 1 d . . .
H31A H 1.0508 0.3971 0.7742 0.116 Uiso 1 1 calc R . .
C32A C 1.1030(7) 0.5052(9) 0.7779(2) 0.111(4) Uani 1 1 d . . .
H32A H 1.1118 0.5068 0.7950 0.133 Uiso 1 1 calc R . .
C33A C 1.1258(7) 0.5662(8) 0.7648(2) 0.103(4) Uani 1 1 d . . .
H33A H 1.1519 0.6103 0.7729 0.123 Uiso 1 1 calc R . .
C34A C 1.1124(5) 0.5660(6) 0.7402(2) 0.081(3) Uani 1 1 d . . .
H34A H 1.1279 0.6096 0.7320 0.098 Uiso 1 1 calc R . .
C23A C 1.1203(3) 0.5661(4) 0.67614(18) 0.051(2) Uani 1 1 d . . .
C24A C 1.1868(4) 0.6154(4) 0.6849(2) 0.069(3) Uani 1 1 d . . .
H24A H 1.1976 0.6161 0.7017 0.083 Uiso 1 1 calc R . .
C25A C 1.2371(5) 0.6635(5) 0.6690(3) 0.100(5) Uani 1 1 d . . .
H25A H 1.2826 0.6969 0.6750 0.120 Uiso 1 1 calc R . .
C26A C 1.2215(7) 0.6631(6) 0.6444(3) 0.108(5) Uani 1 1 d . . .
H26A H 1.2561 0.6968 0.6336 0.129 Uiso 1 1 calc R . .
C27A C 1.1565(6) 0.6145(5) 0.6355(2) 0.090(3) Uani 1 1 d . . .
H27A H 1.1460 0.6139 0.6187 0.108 Uiso 1 1 calc R . .
C28A C 1.1062(5) 0.5660(5) 0.65140(19) 0.070(2) Uani 1 1 d . . .
H28A H 1.0612 0.5320 0.6452 0.084 Uiso 1 1 calc R . .
C35A C 0.8581(3) 0.2890(3) 0.70499(13) 0.0367(15) Uani 1 1 d . . .
C36A C 0.8754(4) 0.2349(4) 0.70629(15) 0.0484(18) Uani 1 1 d . . .
H36A H 0.9095 0.2356 0.6954 0.058 Uiso 1 1 calc R . .
C37A C 0.8435(4) 0.1811(4) 0.72314(15) 0.0520(19) Uani 1 1 d . . .
H37A H 0.8562 0.1454 0.7237 0.062 Uiso 1 1 calc R . .
C38A C 0.7946(4) 0.1782(4) 0.73891(14) 0.0497(18) Uani 1 1 d . . .
H38A H 0.7744 0.1416 0.7507 0.060 Uiso 1 1 calc R . .
C39A C 0.7737(4) 0.2286(4) 0.73788(14) 0.0504(18) Uani 1 1 d . . .
H39A H 0.7376 0.2251 0.7484 0.060 Uiso 1 1 calc R . .
C40A C 0.8065(3) 0.2853(4) 0.72097(14) 0.0452(17) Uani 1 1 d . . .
H40A H 0.7934 0.3207 0.7205 0.054 Uiso 1 1 calc R . .
C41A C 0.8455(3) 0.3434(3) 0.65727(13) 0.0385(15) Uani 1 1 d . . .
C42A C 0.7740(3) 0.2930(4) 0.65810(15) 0.0493(18) Uani 1 1 d . . .
H42A H 0.7540 0.2678 0.6728 0.059 Uiso 1 1 calc R . .
C43A C 0.7319(4) 0.2792(4) 0.63773(17) 0.060(2) Uani 1 1 d . . .
H43A H 0.6833 0.2443 0.6386 0.072 Uiso 1 1 calc R . .
C44A C 0.7589(4) 0.3151(4) 0.61616(16) 0.056(2) Uani 1 1 d . . .
H44A H 0.7294 0.3042 0.6022 0.067 Uiso 1 1 calc R . .
C45A C 0.8291(4) 0.3670(4) 0.61502(15) 0.0513(18) Uani 1 1 d . . .
H45A H 0.8475 0.3934 0.6004 0.062 Uiso 1 1 calc R . .
C46A C 0.8730(4) 0.3809(4) 0.63503(15) 0.0501(18) Uani 1 1 d . . .
H46A H 0.9217 0.4156 0.6339 0.060 Uiso 1 1 calc R . .
C47A C 0.9791(4) 0.7482(3) 0.68419(13) 0.0434(16) Uani 1 1 d . . .
C48A C 1.0141(4) 0.7829(4) 0.70545(15) 0.0548(19) Uani 1 1 d . . .
H48A H 1.0446 0.7701 0.7135 0.066 Uiso 1 1 calc R . .
C49A C 1.0038(5) 0.8382(4) 0.71509(18) 0.068(2) Uani 1 1 d . . .
H49A H 1.0277 0.8628 0.7295 0.081 Uiso 1 1 calc R . .
C50A C 0.9591(5) 0.8552(5) 0.70328(18) 0.067(2) Uani 1 1 d . . .
H50A H 0.9520 0.8917 0.7095 0.080 Uiso 1 1 calc R . .
C51A C 0.9246(5) 0.8200(5) 0.6825(2) 0.079(3) Uani 1 1 d . . .
H51A H 0.8935 0.8325 0.6747 0.095 Uiso 1 1 calc R . .
C52A C 0.9335(4) 0.7665(4) 0.67251(16) 0.057(2) Uani 1 1 d . . .
H52A H 0.9092 0.7429 0.6580 0.069 Uiso 1 1 calc R . .
B1 B 1.0000 0.0000 0.9162(2) 0.075(5) Uani 1 3 d SD . .
F1 F 1.0000 0.0000 0.8910(2) 0.124(4) Uani 1 3 d SD . .
F2 F 0.9901(4) 0.0537(3) 0.92467(15) 0.122(2) Uani 1 1 d D . .
B2 B 0.6667 0.3333 0.72906(17) 0.044(3) Uani 1 3 d SD . .
F3 F 0.7345(2) 0.3824(2) 0.73686(11) 0.0772(15) Uani 1 1 d D . .
F4 F 0.6667 0.3333 0.70399(16) 0.115(4) Uani 1 3 d SD . .
B3 B 0.0000 1.0000 0.76133(16) 0.047(3) Uani 1 3 d SD . .
F5 F 0.0350(3) 0.9661(3) 0.75318(10) 0.0934(17) Uani 1 1 d D . .
F6 F 0.0000 1.0000 0.78648(14) 0.073(2) Uani 1 3 d SD . .
B4 B 0.3333 0.6667 0.7390(3) 0.128(13) Uani 1 3 d SD . .
F7 F 0.3333 0.6667 0.7640(3) 0.271(13) Uani 1 3 d SD . .
F8 F 0.2969(5) 0.5991(4) 0.7305(2) 0.186(4) Uani 1 1 d D . .
B5 B 0.6667 0.3333 0.8809(2) 0.057(4) Uani 1 3 d SD . .
F9 F 0.6667 0.3333 0.85588(19) 0.186(7) Uani 1 3 d SD . .
F10 F 0.6320(4) 0.3662(4) 0.88953(16) 0.138(3) Uani 1 1 d D . .
B6 B 0.3333 0.6667 0.8865(4) 0.200 Uiso 1 3 d SD . .
F11 F 0.3333 0.6667 0.8587(3) 0.200 Uiso 1 3 d SD A .
F12 F 0.3710(14) 0.6243(14) 0.8884(3) 0.200 Uiso 0.50 1 d PD A 1
F12A F 0.2904(14) 0.5868(7) 0.8888(3) 0.200 Uiso 0.50 1 d PD A 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.075(7) . ?
Pt1 N12 2.151(5) . ?
Pt1 P2 2.2488(16) . ?
Pt1 P1 2.3226(17) . ?
Se1 C47 1.891(9) . ?
Se1 C20 2.000(8) . ?
Cl1 C21 1.794(7) . ?
P1 C23 1.822(7) . ?
P1 C29 1.833(7) . ?
P1 C16 1.843(7) . ?
P2 C41 1.812(7) . ?
P2 C35 1.831(7) . ?
P2 C17 1.862(7) . ?
O22 C16 1.434(8) . ?
O22 C19 1.451(8) . ?
N12 C15 1.483(9) . ?
N12 C14 1.508(9) . ?
N12 C11 1.511(9) . ?
C1 C10 1.373(9) . ?
C1 C2 1.441(10) . ?
C2 C3 1.380(10) . ?
C3 C4 1.404(11) . ?
C4 C5 1.410(10) . ?
C4 C9 1.422(10) . ?
C5 C6 1.357(13) . ?
C6 C7 1.397(13) . ?
C7 C8 1.373(11) . ?
C8 C9 1.425(10) . ?
C9 C10 1.439(9) . ?
C10 C11 1.505(10) . ?
C11 C13 1.494(11) . ?
C16 C21 1.549(10) . ?
C16 C17 1.582(9) . ?
C17 C18 1.533(10) . ?
C18 C19 1.540(11) . ?
C19 C20 1.511(11) . ?
C20 C21 1.532(11) . ?
C23 C24 1.392(11) . ?
C23 C28 1.398(10) . ?
C24 C25 1.366(11) . ?
C25 C26 1.395(13) . ?
C26 C27 1.370(14) . ?
C27 C28 1.384(12) . ?
C29 C30 1.377(10) . ?
C29 C34 1.383(9) . ?
C30 C31 1.385(11) . ?
C31 C32 1.331(11) . ?
C32 C33 1.384(12) . ?
C33 C34 1.372(11) . ?
C35 C36 1.376(11) . ?
C35 C40 1.379(10) . ?
C36 C37 1.384(11) . ?
C37 C38 1.356(14) . ?
C38 C39 1.369(14) . ?
C39 C40 1.382(12) . ?
C41 C46 1.396(11) . ?
C41 C42 1.399(10) . ?
C42 C43 1.379(12) . ?
C43 C44 1.370(16) . ?
C44 C45 1.375(15) . ?
C45 C46 1.397(12) . ?
C47 C48 1.371(14) . ?
C47 C52 1.383(13) . ?
C48 C49 1.437(17) . ?
C49 C50 1.398(18) . ?
C50 C51 1.368(17) . ?
C51 C52 1.386(15) . ?
Pt1A C1A 2.068(6) . ?
Pt1A N12A 2.155(5) . ?
Pt1A P2A 2.2359(16) . ?
Pt1A P1A 2.2912(18) . ?
Se1A C47A 1.909(7) . ?
Se1A C20A 1.955(7) . ?
Cl1A C21A 1.800(7) . ?
P1A C29A 1.804(9) . ?
P1A C23A 1.815(8) . ?
P1A C16A 1.853(7) . ?
P2A C35A 1.816(7) . ?
P2A C41A 1.817(7) . ?
P2A C17A 1.888(6) . ?
O22A C16A 1.428(8) . ?
O22A C19A 1.451(8) . ?
N12A C15A 1.492(11) . ?
N12A C14A 1.494(10) . ?
N12A C11A 1.524(9) . ?
C1A C2A 1.404(10) . ?
C1A C10A 1.405(9) . ?
C2A C3A 1.370(10) . ?
C3A C4A 1.420(10) . ?
C4A C5A 1.413(10) . ?
C4A C9A 1.418(11) . ?
C5A C6A 1.371(11) . ?
C6A C7A 1.376(12) . ?
C7A C8A 1.376(11) . ?
C8A C9A 1.399(10) . ?
C9A C10A 1.424(10) . ?
C10A C11A 1.489(10) . ?
C11A C13A 1.520(13) . ?
C16A C17A 1.560(9) . ?
C16A C21A 1.568(9) . ?
C17A C18A 1.537(9) . ?
C18A C19A 1.554(10) . ?
C19A C20A 1.525(9) . ?
C20A C21A 1.545(10) . ?
C29A C34A 1.397(12) . ?
C29A C30A 1.397(12) . ?
C30A C31A 1.406(14) . ?
C31A C32A 1.395(18) . ?
C32A C33A 1.355(18) . ?
C33A C34A 1.360(15) . ?
C23A C28A 1.374(13) . ?
C23A C24A 1.375(10) . ?
C24A C25A 1.368(15) . ?
C25A C26A 1.374(19) . ?
C26A C27A 1.353(17) . ?
C27A C28A 1.370(13) . ?
C35A C40A 1.382(10) . ?
C35A C36A 1.396(9) . ?
C36A C37A 1.363(10) . ?
C37A C38A 1.337(11) . ?
C38A C39A 1.372(10) . ?
C39A C40A 1.406(10) . ?
C41A C42A 1.376(9) . ?
C41A C46A 1.407(10) . ?
C42A C43A 1.365(11) . ?
C43A C44A 1.361(12) . ?
C44A C45A 1.365(11) . ?
C45A C46A 1.371(11) . ?
C47A C48A 1.376(10) . ?
C47A C52A 1.384(10) . ?
C48A C49A 1.422(11) . ?
C49A C50A 1.354(12) . ?
C50A C51A 1.352(13) . ?
C51A C52A 1.376(12) . ?
B1 F2 1.361(5) . ?
B1 F2 1.361(5) 2_645 ?
B1 F2 1.361(5) 3_765 ?
B1 F1 1.362(7) . ?
B2 F4 1.357(7) . ?
B2 F3 1.378(4) 3_665 ?
B2 F3 1.378(4) . ?
B2 F3 1.378(4) 2_655 ?
B3 F6 1.362(7) . ?
B3 F5 1.363(4) 2_675 ?
B3 F5 1.363(4) 3_465 ?
B3 F5 1.363(4) . ?
B4 F8 1.348(6) 3_565 ?
B4 F8 1.348(6) . ?
B4 F8 1.348(6) 2_665 ?
B4 F7 1.352(8) . ?
B5 F10 1.349(5) 3_665 ?
B5 F10 1.349(5) 2_655 ?
B5 F10 1.349(5) . ?
B5 F9 1.352(7) . ?
B6 F12A 1.502(12) 3_565 ?
B6 F12A 1.502(12) . ?
B6 F12A 1.502(12) 2_665 ?
B6 F12 1.504(12) 2_665 ?
B6 F12 1.504(12) 3_565 ?
B6 F12 1.504(12) . ?
B6 F11 1.505(12) . ?
