#------------------------------------------------------------------------------
#$Date: 2019-03-18 09:35:25 +0200 (Mon, 18 Mar 2019) $
#$Revision: 214153 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/83/1548343.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_1548343
loop_
_publ_author_name
'Congqing Zhu'
'Caixia Yang'
'Yongheng Wang'
'Gan Lin'
'Yuhui Yang'
'Xiaoyong Wang'
'Jun Zhu'
'Xiaoyuan Chen'
'Xin Lu'
'Gang Liu'
'Haiping Xia'
_publ_section_title
;
 CCCCC pentadentate chelates with planar Mobius aromaticity and unique
 properties
;
_journal_name_full               'Science Advances'
_journal_page_first              1601031
_journal_paper_doi               10.1126/sciadv.1601031
_journal_volume                  2
_journal_year                    2016
_chemical_formula_moiety         'C68 H58 Os P3, B F4, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C68.5 H59 B Cl F4 Os P3'
_chemical_formula_weight         1287.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                108.68(3)
_cell_angle_beta                 96.47(3)
_cell_angle_gamma                96.12(3)
_cell_formula_units_Z            4
_cell_length_a                   9.938(2)
_cell_length_b                   24.307(5)
_cell_length_c                   25.357(5)
_cell_measurement_reflns_used    10019
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      54.98
_cell_measurement_theta_min      6.04
_cell_volume                     5699(2)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'XP (Sheldrick, 1993)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0954
_diffrn_reflns_av_sigmaI/netI    0.0952
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            61305
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.425
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4115
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2596
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.556
_refine_diff_density_min         -2.261
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1414
_refine_ls_number_reflns         19461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0478P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1086
_reflns_number_gt                13930
_reflns_number_total             19461
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
;

2019-01-13
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C137 H118 B2 Cl2 F8 Os2 P6'
_cod_original_formula_weight         2575.05
_cod_original_formula_moiety         '2(C68 H58 Os P3),2(BF4),CH2Cl2'
_cod_original_formula_units_Z            2
_cod_data_source_file            2e.cif
_cod_data_source_block           1
_cod_database_code               1548343
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Os1 Os 1.44137(2) 0.848644(9) 0.752161(9) 0.02334(7) Uani 1 1 d . . .
P1 P 1.47353(16) 0.90235(7) 0.85254(6) 0.0288(4) Uani 1 1 d . . .
P2 P 1.43790(16) 0.79972(6) 0.65290(6) 0.0275(4) Uani 1 1 d . . .
P3 P 1.41067(17) 1.02347(7) 0.71086(6) 0.0303(4) Uani 1 1 d . . .
C1 C 1.3643(6) 0.9172(2) 0.73351(19) 0.0266(14) Uani 1 1 d . . .
H1A H 1.2707 0.9186 0.7292 0.032 Uiso 1 1 calc R . .
C2 C 1.4564(6) 0.9609(2) 0.7276(2) 0.0278(14) Uani 1 1 d . . .
C3 C 1.5982(6) 0.9530(2) 0.7350(2) 0.0270(14) Uani 1 1 d . . .
H3A H 1.6702 0.9786 0.7314 0.032 Uiso 1 1 calc R . .
C4 C 1.6147(5) 0.9034(2) 0.7480(2) 0.0233(13) Uani 1 1 d . . .
C5 C 1.7436(6) 0.8842(3) 0.7579(2) 0.0328(15) Uani 1 1 d . . .
H5A H 1.8267 0.9050 0.7567 0.039 Uiso 1 1 calc R . .
C6 C 1.7341(6) 0.8330(3) 0.7692(2) 0.0309(15) Uani 1 1 d . . .
H6A H 1.8118 0.8166 0.7759 0.037 Uiso 1 1 calc R . .
C7 C 1.5993(6) 0.8052(2) 0.7705(2) 0.0259(14) Uani 1 1 d . . .
C8 C 1.5960(6) 0.7516(2) 0.7830(2) 0.0310(15) Uani 1 1 d . . .
H8A H 1.6797 0.7392 0.7897 0.037 Uiso 1 1 calc R . .
C9 C 1.4824(7) 0.7173(3) 0.7860(2) 0.0309(15) Uani 1 1 d . . .
C10 C 1.3476(6) 0.7305(3) 0.7746(2) 0.0346(16) Uani 1 1 d . . .
H10A H 1.2722 0.7058 0.7771 0.041 Uiso 1 1 calc R . .
C11 C 1.3280(6) 0.7788(2) 0.7601(2) 0.0277(14) Uani 1 1 d . . .
C12 C 1.2273(7) 0.8081(3) 0.7432(3) 0.0413(17) Uani 1 1 d . . .
H12B H 1.1872 0.7885 0.7036 0.050 Uiso 1 1 calc R . .
C13 C 1.4938(7) 0.6628(3) 0.8007(3) 0.0425(17) Uani 1 1 d . . .
H13A H 1.5886 0.6586 0.8074 0.064 Uiso 1 1 calc R . .
H13B H 1.4462 0.6292 0.7701 0.064 Uiso 1 1 calc R . .
H13C H 1.4539 0.6656 0.8341 0.064 Uiso 1 1 calc R . .
C14 C 1.1223(7) 0.8335(3) 0.7780(3) 0.060(2) Uani 1 1 d . . .
H14A H 1.0372 0.8070 0.7654 0.089 Uiso 1 1 calc R . .
H14C H 1.1091 0.8706 0.7741 0.089 Uiso 1 1 calc R . .
H14E H 1.1532 0.8390 0.8169 0.089 Uiso 1 1 calc R . .
C111 C 1.6541(6) 0.9253(3) 0.8841(2) 0.0349(16) Uani 1 1 d . . .
C112 C 1.7288(7) 0.8957(3) 0.9134(3) 0.0520(19) Uani 1 1 d . . .
H11D H 1.6847 0.8629 0.9193 0.062 Uiso 1 1 calc R . .
C113 C 1.8639(9) 0.9137(4) 0.9332(3) 0.075(3) Uani 1 1 d . . .
H11G H 1.9107 0.8925 0.9520 0.090 Uiso 1 1 calc R . .
C114 C 1.9344(8) 0.9623(4) 0.9266(3) 0.072(3) Uani 1 1 d . . .
H11F H 2.0272 0.9742 0.9407 0.087 Uiso 1 1 calc R . .
C115 C 1.8635(7) 0.9926(3) 0.8985(3) 0.052(2) Uani 1 1 d . . .
H11C H 1.9083 1.0259 0.8939 0.063 Uiso 1 1 calc R . .
C116 C 1.7276(7) 0.9741(3) 0.8773(3) 0.0416(17) Uani 1 1 d . . .
H11B H 1.6825 0.9949 0.8576 0.050 Uiso 1 1 calc R . .
C121 C 1.4005(6) 0.8655(3) 0.8979(2) 0.0370(16) Uani 1 1 d . . .
C122 C 1.3001(7) 0.8873(3) 0.9298(3) 0.057(2) Uani 1 1 d . . .
H12K H 1.2697 0.9217 0.9284 0.068 Uiso 1 1 calc R . .
C123 C 1.2448(8) 0.8589(4) 0.9636(3) 0.071(3) Uani 1 1 d . . .
H12L H 1.1780 0.8744 0.9844 0.085 Uiso 1 1 calc R . .
C124 C 1.2883(9) 0.8078(4) 0.9666(3) 0.070(2) Uani 1 1 d . . .
H12I H 1.2511 0.7885 0.9892 0.084 Uiso 1 1 calc R . .
C125 C 1.3866(8) 0.7859(3) 0.9360(3) 0.051(2) Uani 1 1 d . . .
H12J H 1.4175 0.7519 0.9385 0.062 Uiso 1 1 calc R . .
C126 C 1.4416(7) 0.8134(3) 0.9013(2) 0.0414(17) Uani 1 1 d . . .
H12E H 1.5067 0.7969 0.8800 0.050 Uiso 1 1 calc R . .
C131 C 1.4085(7) 0.9732(3) 0.8790(2) 0.0351(16) Uani 1 1 d . . .
C132 C 1.4720(8) 1.0163(3) 0.9298(3) 0.053(2) Uani 1 1 d . . .
H13I H 1.5529 1.0110 0.9487 0.063 Uiso 1 1 calc R . .
C133 C 1.4150(9) 1.0661(3) 0.9519(3) 0.068(3) Uani 1 1 d . . .
H13J H 1.4584 1.0947 0.9854 0.082 Uiso 1 1 calc R . .
C134 C 1.2942(9) 1.0743(3) 0.9249(3) 0.071(3) Uani 1 1 d . . .
H13L H 1.2562 1.1082 0.9401 0.086 Uiso 1 1 calc R . .
C135 C 1.2306(8) 1.0321(3) 0.8757(3) 0.052(2) Uani 1 1 d . . .
H13K H 1.1479 1.0370 0.8579 0.063 Uiso 1 1 calc R . .
C136 C 1.2886(7) 0.9820(3) 0.8521(3) 0.0431(17) Uani 1 1 d . . .
H13D H 1.2462 0.9543 0.8179 0.052 Uiso 1 1 calc R . .
C211 C 1.6060(6) 0.7958(3) 0.6300(2) 0.0338(15) Uani 1 1 d . . .
C212 C 1.6752(6) 0.8446(3) 0.6226(2) 0.0376(16) Uani 1 1 d . . .
H21B H 1.6374 0.8793 0.6322 0.045 Uiso 1 1 calc R . .
C213 C 1.7971(7) 0.8444(3) 0.6019(3) 0.053(2) Uani 1 1 d . . .
H21E H 1.8404 0.8781 0.5976 0.064 Uiso 1 1 calc R . .
C214 C 1.8542(7) 0.7938(3) 0.5879(3) 0.052(2) Uani 1 1 d . . .
H21A H 1.9348 0.7926 0.5724 0.062 Uiso 1 1 calc R . .
C215 C 1.7927(7) 0.7449(3) 0.5965(3) 0.0493(19) Uani 1 1 d . . .
H21C H 1.8326 0.7108 0.5875 0.059 Uiso 1 1 calc R . .
C216 C 1.6700(6) 0.7461(3) 0.6188(2) 0.0370(16) Uani 1 1 d . . .
H21D H 1.6311 0.7133 0.6262 0.044 Uiso 1 1 calc R . .
C221 C 1.3519(6) 0.7230(2) 0.6263(2) 0.0276(14) Uani 1 1 d . . .
C222 C 1.2399(6) 0.7033(3) 0.5831(2) 0.0380(16) Uani 1 1 d . . .
H22C H 1.2060 0.7296 0.5671 0.046 Uiso 1 1 calc R . .
C223 C 1.1787(7) 0.6452(3) 0.5637(3) 0.052(2) Uani 1 1 d . . .
H22D H 1.1032 0.6327 0.5353 0.062 Uiso 1 1 calc R . .
C224 C 1.2295(7) 0.6056(3) 0.5866(3) 0.0488(19) Uani 1 1 d . . .
H22E H 1.1886 0.5665 0.5734 0.059 Uiso 1 1 calc R . .
C225 C 1.3394(7) 0.6240(3) 0.6286(3) 0.0460(18) Uani 1 1 d . . .
H22B H 1.3741 0.5974 0.6438 0.055 Uiso 1 1 calc R . .
C226 C 1.3998(6) 0.6826(3) 0.6485(2) 0.0376(16) Uani 1 1 d . . .
H22A H 1.4741 0.6949 0.6775 0.045 Uiso 1 1 calc R . .
C231 C 1.3502(6) 0.8276(2) 0.6012(2) 0.0301(14) Uani 1 1 d . . .
C232 C 1.3947(7) 0.8201(3) 0.5491(2) 0.0372(16) Uani 1 1 d . . .
H23C H 1.4736 0.8034 0.5417 0.045 Uiso 1 1 calc R . .
C233 C 1.3222(7) 0.8373(3) 0.5083(3) 0.0483(19) Uani 1 1 d . . .
H23D H 1.3532 0.8326 0.4740 0.058 Uiso 1 1 calc R . .
C234 C 1.2050(7) 0.8613(3) 0.5186(3) 0.0454(18) Uani 1 1 d . . .
H23E H 1.1570 0.8732 0.4915 0.054 Uiso 1 1 calc R . .
C235 C 1.1584(6) 0.8679(3) 0.5693(3) 0.0391(17) Uani 1 1 d . . .
H23B H 1.0786 0.8840 0.5762 0.047 Uiso 1 1 calc R . .
C236 C 1.2300(6) 0.8507(2) 0.6096(2) 0.0304(15) Uani 1 1 d . . .
H23A H 1.1966 0.8548 0.6432 0.036 Uiso 1 1 calc R . .
C311 C 1.2305(6) 1.0151(2) 0.6861(3) 0.0349(15) Uani 1 1 d . . .
C312 C 1.1825(7) 1.0155(3) 0.6325(3) 0.0480(19) Uani 1 1 d . . .
H31A H 1.2439 1.0203 0.6087 0.058 Uiso 1 1 calc R . .
C313 C 1.0428(9) 1.0089(3) 0.6149(4) 0.065(3) Uani 1 1 d . . .
H31E H 1.0100 1.0091 0.5791 0.078 Uiso 1 1 calc R . .
C314 C 0.9534(9) 1.0021(3) 0.6503(4) 0.072(3) Uani 1 1 d . . .
H31B H 0.8596 0.9965 0.6380 0.086 Uiso 1 1 calc R . .
C315 C 1.0000(8) 1.0034(3) 0.7035(4) 0.058(2) Uani 1 1 d . . .
H31D H 0.9374 0.9991 0.7271 0.070 Uiso 1 1 calc R . .
C316 C 1.1376(7) 1.0109(3) 0.7227(3) 0.0493(19) Uani 1 1 d . . .
H31C H 1.1687 1.0131 0.7595 0.059 Uiso 1 1 calc R . .
C321 C 1.5043(6) 1.0320(3) 0.6568(2) 0.0341(15) Uani 1 1 d . . .
C322 C 1.5064(7) 0.9822(3) 0.6108(2) 0.0388(16) Uani 1 1 d . . .
H32A H 1.4615 0.9460 0.6094 0.047 Uiso 1 1 calc R . .
C323 C 1.5746(7) 0.9858(3) 0.5672(3) 0.0453(18) Uani 1 1 d . . .
H32C H 1.5738 0.9526 0.5360 0.054 Uiso 1 1 calc R . .
C324 C 1.6440(7) 1.0396(3) 0.5705(3) 0.053(2) Uani 1 1 d . . .
H32E H 1.6917 1.0424 0.5418 0.063 Uiso 1 1 calc R . .
C325 C 1.6429(8) 1.0891(3) 0.6163(3) 0.059(2) Uani 1 1 d . . .
H32D H 1.6887 1.1251 0.6180 0.071 Uiso 1 1 calc R . .
C326 C 1.5739(7) 1.0851(3) 0.6596(3) 0.0455(18) Uani 1 1 d . . .
H32B H 1.5745 1.1184 0.6906 0.055 Uiso 1 1 calc R . .
C331 C 1.4512(6) 1.0882(2) 0.7722(2) 0.0336(15) Uani 1 1 d . . .
C332 C 1.5529(8) 1.0912(3) 0.8159(3) 0.056(2) Uani 1 1 d . . .
H33E H 1.6027 1.0603 0.8125 0.068 Uiso 1 1 calc R . .
C333 C 1.5806(9) 1.1399(3) 0.8644(3) 0.072(3) Uani 1 1 d . . .
H33B H 1.6494 1.1417 0.8933 0.086 Uiso 1 1 calc R . .
C334 C 1.5068(9) 1.1856(3) 0.8701(3) 0.060(2) Uani 1 1 d . . .
H33D H 1.5238 1.2177 0.9032 0.072 Uiso 1 1 calc R . .
C335 C 1.4081(8) 1.1837(3) 0.8269(3) 0.058(2) Uani 1 1 d . . .
H33C H 1.3602 1.2152 0.8305 0.070 Uiso 1 1 calc R . .
C336 C 1.3790(7) 1.1352(3) 0.7778(3) 0.0458(18) Uani 1 1 d . . .
H33A H 1.3114 1.1341 0.7488 0.055 Uiso 1 1 calc R . .
Os2 Os 1.15313(2) 0.505393(10) 1.261530(9) 0.02509(8) Uani 1 1 d . . .
P4 P 1.20670(16) 0.55366(7) 1.36270(6) 0.0282(4) Uani 1 1 d . . .
P5 P 1.09704(16) 0.45734(7) 1.16116(6) 0.0290(4) Uani 1 1 d . . .
P6 P 1.20431(18) 0.68765(7) 1.23109(7) 0.0345(4) Uani 1 1 d . . .
C21 C 1.2351(6) 0.5820(2) 1.2498(2) 0.0272(14) Uani 1 1 d . . .
H21F H 1.3277 0.5892 1.2475 0.033 Uiso 1 1 calc R . .
C22 C 1.1509(6) 0.6219(2) 1.2454(2) 0.0309(15) Uani 1 1 d . . .
C23 C 1.0114(6) 0.6053(2) 1.2498(2) 0.0318(15) Uani 1 1 d . . .
H23F H 0.9436 0.6285 1.2478 0.038 Uiso 1 1 calc R . .
C24 C 0.9876(6) 0.5528(3) 1.2571(2) 0.0302(15) Uani 1 1 d . . .
C25 C 0.8569(6) 0.5233(3) 1.2586(2) 0.0398(17) Uani 1 1 d . . .
H25A H 0.7765 0.5389 1.2540 0.048 Uiso 1 1 calc R . .
C26 C 0.8576(7) 0.4715(3) 1.2669(2) 0.0403(17) Uani 1 1 d . . .
H26A H 0.7777 0.4485 1.2681 0.048 Uiso 1 1 calc R . .
C27 C 0.9917(6) 0.4538(2) 1.2740(2) 0.0276(14) Uani 1 1 d . . .
C28 C 0.9885(7) 0.4025(3) 1.2905(2) 0.0391(16) Uani 1 1 d . . .
H28A H 0.9053 0.3871 1.2975 0.047 Uiso 1 1 calc R . .
C29 C 1.0970(7) 0.3749(3) 1.2965(2) 0.0384(16) Uani 1 1 d . . .
C30 C 1.2268(7) 0.3920(3) 1.2856(2) 0.0352(16) Uani 1 1 d . . .
H30A H 1.2955 0.3695 1.2884 0.042 Uiso 1 1 calc R . .
C31 C 1.2553(6) 0.4405(3) 1.2710(2) 0.0267(14) Uani 1 1 d . . .
C32 C 1.3525(6) 0.4728(2) 1.2522(2) 0.0301(14) Uani 1 1 d . . .
H32F H 1.3597 0.4530 1.2126 0.036 Uiso 1 1 calc R . .
C33 C 1.0786(8) 0.3226(3) 1.3162(3) 0.065(2) Uani 1 1 d . . .
H33F H 0.9856 0.3154 1.3222 0.098 Uiso 1 1 calc R . .
H33G H 1.1393 0.3305 1.3509 0.098 Uiso 1 1 calc R . .
H33H H 1.0992 0.2887 1.2881 0.098 Uiso 1 1 calc R . .
C34 C 1.4879(6) 0.5070(3) 1.2855(3) 0.0444(18) Uani 1 1 d . . .
H34A H 1.5598 0.4843 1.2745 0.067 Uiso 1 1 calc R . .
H34B H 1.4856 0.5151 1.3250 0.067 Uiso 1 1 calc R . .
H34C H 1.5045 0.5433 1.2782 0.067 Uiso 1 1 calc R . .
C411 C 1.0805(7) 0.5997(3) 1.3944(2) 0.0384(16) Uani 1 1 d . . .
C412 C 1.1174(7) 0.6609(3) 1.4218(2) 0.0431(18) Uani 1 1 d . . .
H41A H 1.2066 0.6786 1.4240 0.052 Uiso 1 1 calc R . .
C413 C 1.0217(9) 0.6948(3) 1.4453(3) 0.057(2) Uani 1 1 d . . .
H41E H 1.0473 0.7348 1.4644 0.068 Uiso 1 1 calc R . .
C414 C 0.8897(8) 0.6692(4) 1.4402(3) 0.062(2) Uani 1 1 d . . .
H41C H 0.8258 0.6923 1.4558 0.075 Uiso 1 1 calc R . .
C415 C 0.8493(7) 0.6108(4) 1.4130(3) 0.053(2) Uani 1 1 d . . .
H41B H 0.7582 0.5946 1.4092 0.064 Uiso 1 1 calc R . .
C416 C 0.9447(7) 0.5748(3) 1.3906(2) 0.0447(18) Uani 1 1 d . . .
H41D H 0.9177 0.5345 1.3733 0.054 Uiso 1 1 calc R . .
C421 C 1.2248(6) 0.5037(3) 1.4036(2) 0.0305(14) Uani 1 1 d . . .
C422 C 1.3456(7) 0.4806(3) 1.4067(3) 0.0442(17) Uani 1 1 d . . .
H42A H 1.4130 0.4891 1.3867 0.053 Uiso 1 1 calc R . .
C423 C 1.3689(8) 0.4448(3) 1.4392(3) 0.0490(19) Uani 1 1 d . . .
H42C H 1.4507 0.4295 1.4402 0.059 Uiso 1 1 calc R . .
C424 C 1.2710(7) 0.4319(3) 1.4698(3) 0.0459(18) Uani 1 1 d . . .
H42E H 1.2864 0.4086 1.4920 0.055 Uiso 1 1 calc R . .
C425 C 1.1508(7) 0.4542(3) 1.4666(3) 0.0454(18) Uani 1 1 d . . .
H42D H 1.0829 0.4451 1.4861 0.055 Uiso 1 1 calc R . .
C426 C 1.1286(7) 0.4899(3) 1.4349(3) 0.0397(16) Uani 1 1 d . . .
H42B H 1.0468 0.5053 1.4344 0.048 Uiso 1 1 calc R . .
C431 C 1.3611(6) 0.6070(3) 1.3979(2) 0.0324(15) Uani 1 1 d . . .
C432 C 1.4261(7) 0.6426(3) 1.3726(3) 0.0481(19) Uani 1 1 d . . .
H43A H 1.4043 0.6346 1.3340 0.058 Uiso 1 1 calc R . .
C433 C 1.5246(7) 0.6905(3) 1.4049(3) 0.0506(19) Uani 1 1 d . . .
H43E H 1.5667 0.7147 1.3877 0.061 Uiso 1 1 calc R . .
C434 C 1.5602(7) 0.7025(3) 1.4617(3) 0.0465(19) Uani 1 1 d . . .
H43C H 1.6251 0.7347 1.4829 0.056 Uiso 1 1 calc R . .
C435 C 1.4998(7) 0.6668(3) 1.4866(3) 0.0480(19) Uani 1 1 d . . .
H43D H 1.5248 0.6743 1.5249 0.058 Uiso 1 1 calc R . .
C436 C 1.4019(7) 0.6198(3) 1.4556(2) 0.0432(17) Uani 1 1 d . . .
H43B H 1.3618 0.5958 1.4735 0.052 Uiso 1 1 calc R . .
C511 C 1.1323(6) 0.3820(3) 1.1354(2) 0.0339(15) Uani 1 1 d . . .
C512 C 1.0726(7) 0.3407(3) 1.1564(3) 0.0429(18) Uani 1 1 d . . .
H51A H 1.0199 0.3527 1.1849 0.051 Uiso 1 1 calc R . .
C513 C 1.0895(8) 0.2820(3) 1.1359(3) 0.058(2) Uani 1 1 d . . .
H51B H 1.0472 0.2551 1.1502 0.069 Uiso 1 1 calc R . .
C514 C 1.1691(9) 0.2636(3) 1.0942(3) 0.065(2) Uani 1 1 d . . .
H51E H 1.1803 0.2243 1.0802 0.078 Uiso 1 1 calc R . .
C515 C 1.2319(8) 0.3040(3) 1.0737(3) 0.060(2) Uani 1 1 d . . .
H51D H 1.2867 0.2918 1.0460 0.072 Uiso 1 1 calc R . .
C516 C 1.2146(6) 0.3630(3) 1.0938(2) 0.0384(17) Uani 1 1 d . . .
H51C H 1.2579 0.3898 1.0795 0.046 Uiso 1 1 calc R . .
C521 C 1.1847(6) 0.4905(2) 1.1167(2) 0.0319(15) Uani 1 1 d . . .
C522 C 1.1229(7) 0.4823(3) 1.0614(2) 0.0427(17) Uani 1 1 d . . .
H52A H 1.0346 0.4618 1.0482 0.051 Uiso 1 1 calc R . .
C523 C 1.1917(8) 0.5043(3) 1.0269(3) 0.055(2) Uani 1 1 d . . .
H52E H 1.1485 0.4991 0.9908 0.066 Uiso 1 1 calc R . .
C524 C 1.3239(8) 0.5340(3) 1.0446(3) 0.053(2) Uani 1 1 d . . .
H52C H 1.3696 0.5492 1.0211 0.063 Uiso 1 1 calc R . .
C525 C 1.3865(7) 0.5407(3) 1.0981(3) 0.0478(18) Uani 1 1 d . . .
H52D H 1.4759 0.5602 1.1105 0.057 Uiso 1 1 calc R . .
C526 C 1.3191(7) 0.5190(3) 1.1334(3) 0.0389(16) Uani 1 1 d . . .
H52B H 1.3642 0.5235 1.1690 0.047 Uiso 1 1 calc R . .
C531 C 0.9168(6) 0.4508(3) 1.1317(2) 0.0327(15) Uani 1 1 d . . .
C532 C 0.8261(7) 0.3987(3) 1.1133(2) 0.0417(17) Uani 1 1 d . . .
H53E H 0.8567 0.3642 1.1145 0.050 Uiso 1 1 calc R . .
C533 C 0.6901(7) 0.3978(3) 1.0934(3) 0.0521(19) Uani 1 1 d . . .
H53D H 0.6299 0.3627 1.0818 0.062 Uiso 1 1 calc R . .
C534 C 0.6426(7) 0.4478(3) 1.0904(3) 0.0493(19) Uani 1 1 d . . .
H53B H 0.5509 0.4469 1.0773 0.059 Uiso 1 1 calc R . .
C535 C 0.7339(7) 0.4998(3) 1.1073(3) 0.0454(18) Uani 1 1 d . . .
H53C H 0.7037 0.5340 1.1048 0.054 Uiso 1 1 calc R . .
C536 C 0.8688(6) 0.5011(3) 1.1276(2) 0.0374(16) Uani 1 1 d . . .
H53A H 0.9289 0.5363 1.1389 0.045 Uiso 1 1 calc R . .
C611 C 1.3866(7) 0.7077(3) 1.2484(3) 0.0394(17) Uani 1 1 d . . .
C612 C 1.4713(7) 0.6744(3) 1.2149(3) 0.0487(18) Uani 1 1 d . . .
H61B H 1.4329 0.6425 1.1831 0.058 Uiso 1 1 calc R . .
C613 C 1.6109(8) 0.6885(4) 1.2288(4) 0.068(2) Uani 1 1 d . . .
H61D H 1.6667 0.6662 1.2063 0.081 Uiso 1 1 calc R . .
C614 C 1.6690(9) 0.7355(5) 1.2757(4) 0.086(3) Uani 1 1 d . . .
H61E H 1.7639 0.7449 1.2849 0.103 Uiso 1 1 calc R . .
C615 C 1.5880(10) 0.7684(4) 1.3087(3) 0.070(3) Uani 1 1 d . . .
H61C H 1.6280 0.8000 1.3404 0.084 Uiso 1 1 calc R . .
C616 C 1.4478(8) 0.7555(3) 1.2957(3) 0.053(2) Uani 1 1 d . . .
H61A H 1.3935 0.7787 1.3183 0.064 Uiso 1 1 calc R . .
C621 C 1.1493(7) 0.6790(3) 1.1584(2) 0.0357(16) Uani 1 1 d . . .
C622 C 1.0138(7) 0.6572(3) 1.1353(3) 0.0468(18) Uani 1 1 d . . .
H62C H 0.9529 0.6479 1.1576 0.056 Uiso 1 1 calc R . .
C623 C 0.9673(9) 0.6488(3) 1.0787(3) 0.061(2) Uani 1 1 d . . .
H62B H 0.8756 0.6348 1.0634 0.073 Uiso 1 1 calc R . .
C624 C 1.0594(9) 0.6615(3) 1.0459(3) 0.060(2) Uani 1 1 d . . .
H62E H 1.0300 0.6547 1.0079 0.073 Uiso 1 1 calc R . .
C625 C 1.1905(9) 0.6835(3) 1.0679(3) 0.064(2) Uani 1 1 d . . .
H62A H 1.2503 0.6929 1.0453 0.077 Uiso 1 1 calc R . .
C626 C 1.2382(7) 0.6923(3) 1.1241(3) 0.0468(18) Uani 1 1 d . . .
H62D H 1.3298 0.7071 1.1388 0.056 Uiso 1 1 calc R . .
C631 C 1.1261(6) 0.7460(3) 1.2737(2) 0.0360(16) Uani 1 1 d . . .
C632 C 1.0967(7) 0.7923(3) 1.2557(3) 0.053(2) Uani 1 1 d . . .
H63E H 1.1187 0.7940 1.2216 0.064 Uiso 1 1 calc R . .
C633 C 1.0333(8) 0.8364(3) 1.2900(3) 0.064(2) Uani 1 1 d . . .
H63C H 1.0120 0.8672 1.2780 0.077 Uiso 1 1 calc R . .
C634 C 1.0028(8) 0.8346(3) 1.3403(3) 0.060(2) Uani 1 1 d . . .
H63B H 0.9631 0.8648 1.3629 0.072 Uiso 1 1 calc R . .
C635 C 1.0297(7) 0.7890(3) 1.3581(3) 0.0514(19) Uani 1 1 d . . .
H63D H 1.0060 0.7875 1.3921 0.062 Uiso 1 1 calc R . .
C636 C 1.0925(7) 0.7447(3) 1.3253(3) 0.0465(18) Uani 1 1 d . . .
H63A H 1.1123 0.7140 1.3378 0.056 Uiso 1 1 calc R . .
C1S C 1.0355(10) 0.1873(4) 0.8913(3) 0.084(3) Uani 1 1 d . . .
H1SA H 0.9896 0.2187 0.8857 0.101 Uiso 1 1 calc R . .
H1SB H 1.1330 0.1983 0.8928 0.101 Uiso 1 1 calc R . .
Cl1B Cl 1.0069(3) 0.17984(12) 0.95465(9) 0.0924(8) Uani 1 1 d . . .
Cl1A Cl 0.9789(3) 0.12480(11) 0.83581(10) 0.1125(11) Uani 1 1 d . . .
B1 B 0.3923(11) 0.3287(5) 0.9458(6) 0.097(5) Uani 1 1 d . . .
F4 F 0.5007(8) 0.3060(3) 0.9786(3) 0.175(4) Uani 1 1 d . . .
F3 F 0.4498(9) 0.3319(3) 0.9079(3) 0.173(4) Uani 1 1 d . . .
F2 F 0.2908(5) 0.2815(2) 0.9318(2) 0.1056(19) Uani 1 1 d . . .
F1 F 0.3675(5) 0.3742(2) 0.98637(19) 0.0875(16) Uani 1 1 d . . .
B2 B 0.7727(12) 0.8697(5) 0.4644(4) 0.067(3) Uani 1 1 d . . .
F5 F 0.7576(6) 0.8806(2) 0.4144(2) 0.1007(18) Uani 1 1 d . . .
F6 F 0.6457(6) 0.8542(2) 0.4751(2) 0.1113(19) Uani 1 1 d . . .
F7 F 0.8368(7) 0.8215(3) 0.4579(3) 0.140(3) Uani 1 1 d . . .
F8 F 0.8375(7) 0.9157(3) 0.5055(3) 0.159(3) 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'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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
C11 Os1 C1 125.3(2) . .
C11 Os1 C7 81.4(2) . .
C1 Os1 C7 153.3(2) . .
C11 Os1 C4 159.2(2) . .
C1 Os1 C4 75.4(2) . .
C7 Os1 C4 77.8(2) . .
C11 Os1 C12 38.3(2) . .
C1 Os1 C12 87.1(2) . .
C7 Os1 C12 119.6(2) . .
C4 Os1 C12 162.0(2) . .
C11 Os1 P2 92.47(15) . .
C1 Os1 P2 88.98(14) . .
C7 Os1 P2 90.02(14) . .
C4 Os1 P2 85.84(15) . .
C12 Os1 P2 89.40(17) . .
C11 Os1 P1 92.74(16) . .
C1 Os1 P1 91.69(14) . .
C7 Os1 P1 86.31(14) . .
C4 Os1 P1 87.69(15) . .
C12 Os1 P1 97.48(17) . .
P2 Os1 P1 173.11(5) . .
C111 P1 C121 104.0(3) . .
C111 P1 C131 100.1(3) . .
C121 P1 C131 99.0(3) . .
C111 P1 Os1 113.1(2) . .
C121 P1 Os1 117.8(2) . .
C131 P1 Os1 120.16(19) . .
C211 P2 C221 104.2(3) . .
C211 P2 C231 100.5(3) . .
C221 P2 C231 99.8(3) . .
C211 P2 Os1 115.57(18) . .
C221 P2 Os1 114.26(19) . .
C231 P2 Os1 119.97(19) . .
C331 P3 C2 110.3(3) . .
C331 P3 C321 110.2(3) . .
C2 P3 C321 108.1(3) . .
C331 P3 C311 107.2(3) . .
C2 P3 C311 112.1(3) . .
C321 P3 C311 108.9(3) . .
C2 C1 Os1 117.9(4) . .
C1 C2 C3 115.2(5) . .
C1 C2 P3 124.9(5) . .
C3 C2 P3 119.9(4) . .
C4 C3 C2 112.2(5) . .
C3 C4 C5 124.8(5) . .
C3 C4 Os1 119.3(4) . .
C5 C4 Os1 115.9(4) . .
C6 C5 C4 114.2(6) . .
C5 C6 C7 117.7(5) . .
C8 C7 C6 115.1(5) . .
C8 C7 Os1 130.6(5) . .
C6 C7 Os1 114.3(4) . .
C9 C8 C7 126.1(5) . .
C8 C9 C10 122.2(6) . .
C8 C9 C13 120.6(6) . .
C10 C9 C13 117.2(6) . .
C11 C10 C9 121.0(6) . .
C10 C11 C12 143.2(6) . .
C10 C11 Os1 138.6(5) . .
C12 C11 Os1 78.2(4) . .
C11 C12 C14 124.5(6) . .
C11 C12 Os1 63.5(4) . .
C14 C12 Os1 126.2(5) . .
C116 C111 C112 115.8(6) . .
C116 C111 P1 119.6(5) . .
C112 C111 P1 124.6(5) . .
C113 C112 C111 121.3(7) . .
C112 C113 C114 122.2(8) . .
C115 C114 C113 117.9(8) . .
C116 C115 C114 120.5(7) . .
C115 C116 C111 122.4(7) . .
C126 C121 C122 116.8(6) . .
C126 C121 P1 121.1(5) . .
C122 C121 P1 122.1(5) . .
C123 C122 C121 121.7(7) . .
C124 C123 C122 120.3(7) . .
C125 C124 C123 118.9(7) . .
C124 C125 C126 121.4(7) . .
C125 C126 C121 120.8(6) . .
C136 C131 C132 118.6(6) . .
C136 C131 P1 120.3(5) . .
C132 C131 P1 120.7(5) . .
C133 C132 C131 120.2(7) . .
C132 C133 C134 120.7(7) . .
C135 C134 C133 119.4(6) . .
C134 C135 C136 120.6(7) . .
C131 C136 C135 120.3(6) . .
C212 C211 C216 116.8(6) . .
C212 C211 P2 119.1(5) . .
C216 C211 P2 124.1(5) . .
C213 C212 C211 123.0(6) . .
C214 C213 C212 119.2(7) . .
C215 C214 C213 120.1(7) . .
C214 C215 C216 120.3(6) . .
C211 C216 C215 120.5(7) . .
C226 C221 C222 117.9(6) . .
C226 C221 P2 119.9(5) . .
C222 C221 P2 122.2(5) . .
C223 C222 C221 120.7(6) . .
C224 C223 C222 120.1(7) . .
C225 C224 C223 119.9(6) . .
C224 C225 C226 119.8(7) . .
C221 C226 C225 121.5(6) . .
C236 C231 C232 117.6(5) . .
C236 C231 P2 121.2(5) . .
C232 C231 P2 120.8(4) . .
C233 C232 C231 120.8(6) . .
C234 C233 C232 119.9(6) . .
C233 C234 C235 120.0(6) . .
C234 C235 C236 120.1(6) . .
C235 C236 C231 121.7(6) . .
C312 C311 C316 119.7(6) . .
C312 C311 P3 121.5(5) . .
C316 C311 P3 118.8(5) . .
C313 C312 C311 119.8(8) . .
C314 C313 C312 119.6(8) . .
C313 C314 C315 120.9(8) . .
C314 C315 C316 121.1(8) . .
C315 C316 C311 118.8(7) . .
C326 C321 C322 119.7(6) . .
C326 C321 P3 122.6(5) . .
C322 C321 P3 117.7(5) . .
C323 C322 C321 120.7(6) . .
C322 C323 C324 119.0(6) . .
C325 C324 C323 120.4(7) . .
C324 C325 C326 120.2(7) . .
C321 C326 C325 120.0(6) . .
C336 C331 C332 119.0(6) . .
C336 C331 P3 120.9(5) . .
C332 C331 P3 120.1(5) . .
C333 C332 C331 120.4(7) . .
C334 C333 C332 120.2(7) . .
C335 C334 C333 120.0(6) . .
C334 C335 C336 120.7(6) . .
C335 C336 C331 119.7(6) . .
C31 Os2 C27 82.3(2) . .
C31 Os2 C21 127.0(2) . .
C27 Os2 C21 150.6(2) . .
C31 Os2 C24 158.8(3) . .
C27 Os2 C24 76.5(2) . .
C21 Os2 C24 74.2(2) . .
C31 Os2 C32 38.1(2) . .
C27 Os2 C32 119.8(2) . .
C21 Os2 C32 89.6(2) . .
C24 Os2 C32 162.5(2) . .
C31 Os2 P5 92.28(15) . .
C27 Os2 P5 90.79(16) . .
C21 Os2 P5 90.43(15) . .
C24 Os2 P5 88.44(15) . .
C32 Os2 P5 85.27(15) . .
C31 Os2 P4 88.03(15) . .
C27 Os2 P4 88.64(16) . .
C21 Os2 P4 89.88(15) . .
C24 Os2 P4 91.04(14) . .
C32 Os2 P4 95.35(15) . .
P5 Os2 P4 179.31(6) . .
C431 P4 C421 98.2(3) . .
C431 P4 C411 97.3(3) . .
C421 P4 C411 104.6(3) . .
C431 P4 Os2 123.7(2) . .
C421 P4 Os2 114.79(18) . .
C411 P4 Os2 115.0(2) . .
C511 P5 C521 101.7(3) . .
C511 P5 C531 103.3(3) . .
C521 P5 C531 102.0(3) . .
C511 P5 Os2 115.11(19) . .
C521 P5 Os2 117.30(19) . .
C531 P5 Os2 115.33(19) . .
C22 P6 C611 110.5(3) . .
C22 P6 C631 108.6(3) . .
C611 P6 C631 108.6(3) . .
C22 P6 C621 111.1(3) . .
C611 P6 C621 110.1(3) . .
C631 P6 C621 107.7(3) . .
C22 C21 Os2 119.1(4) . .
C21 C22 C23 114.4(6) . .
C21 C22 P6 124.1(5) . .
C23 C22 P6 121.3(4) . .
C24 C23 C22 113.4(5) . .
C23 C24 C25 125.7(6) . .
C23 C24 Os2 118.9(5) . .
C25 C24 Os2 115.3(4) . .
C26 C25 C24 115.5(6) . .
C25 C26 C27 115.4(6) . .
C28 C27 C26 112.9(6) . .
C28 C27 Os2 130.3(4) . .
C26 C27 Os2 116.8(4) . .
C29 C28 C27 124.9(6) . .
C28 C29 C30 123.7(6) . .
C28 C29 C33 118.7(7) . .
C30 C29 C33 117.6(6) . .
C31 C30 C29 121.8(6) . .
C30 C31 C32 145.2(6) . .
C30 C31 Os2 136.2(5) . .
C32 C31 Os2 78.5(4) . .
C31 C32 C34 126.2(6) . .
C31 C32 Os2 63.4(3) . .
C34 C32 Os2 124.0(4) . .
C416 C411 C412 118.2(6) . .
C416 C411 P4 120.7(5) . .
C412 C411 P4 121.1(5) . .
C413 C412 C411 120.5(7) . .
C414 C413 C412 119.8(7) . .
C415 C414 C413 121.6(7) . .
C414 C415 C416 120.2(7) . .
C411 C416 C415 119.8(7) . .
C422 C421 C426 116.6(6) . .
C422 C421 P4 118.6(5) . .
C426 C421 P4 124.7(5) . .
C421 C422 C423 121.7(7) . .
C424 C423 C422 120.3(6) . .
C425 C424 C423 118.4(6) . .
C424 C425 C426 121.1(7) . .
C425 C426 C421 121.9(6) . .
C432 C431 C436 117.4(6) . .
C432 C431 P4 122.8(5) . .
C436 C431 P4 118.9(5) . .
C431 C432 C433 120.0(6) . .
C434 C433 C432 121.0(7) . .
C435 C434 C433 119.3(7) . .
C434 C435 C436 120.5(7) . .
C435 C436 C431 121.7(7) . .
C512 C511 C516 117.7(6) . .
C512 C511 P5 119.4(5) . .
C516 C511 P5 122.9(5) . .
C513 C512 C511 121.8(7) . .
C514 C513 C512 120.0(8) . .
C515 C514 C513 119.4(7) . .
C514 C515 C516 121.0(7) . .
C515 C516 C511 120.1(7) . .
C526 C521 C522 117.3(6) . .
C526 C521 P5 121.7(5) . .
C522 C521 P5 120.6(5) . .
C523 C522 C521 120.7(7) . .
C522 C523 C524 121.3(7) . .
C525 C524 C523 118.4(7) . .
C526 C525 C524 121.1(7) . .
C525 C526 C521 121.1(6) . .
C536 C531 C532 118.4(6) . .
C536 C531 P5 117.9(5) . .
C532 C531 P5 123.7(5) . .
C533 C532 C531 120.2(6) . .
C534 C533 C532 121.2(7) . .
C533 C534 C535 118.8(6) . .
C536 C535 C534 120.2(6) . .
C535 C536 C531 121.1(6) . .
C616 C611 C612 118.4(7) . .
C616 C611 P6 121.6(6) . .
C612 C611 P6 120.0(5) . .
C613 C612 C611 120.2(7) . .
C612 C613 C614 120.5(8) . .
C615 C614 C613 120.0(9) . .
C614 C615 C616 120.9(8) . .
C615 C616 C611 120.0(7) . .
C622 C621 C626 118.6(6) . .
C622 C621 P6 118.7(5) . .
C626 C621 P6 122.7(5) . .
C621 C622 C623 120.5(7) . .
C624 C623 C622 119.0(7) . .
C625 C624 C623 121.0(7) . .
C624 C625 C626 120.7(8) . .
C625 C626 C621 120.1(7) . .
C636 C631 C632 119.2(6) . .
C636 C631 P6 119.9(5) . .
C632 C631 P6 120.9(5) . .
C631 C632 C633 118.9(7) . .
C634 C633 C632 120.9(7) . .
C633 C634 C635 120.7(7) . .
C634 C635 C636 119.9(7) . .
C635 C636 C631 120.4(7) . .
Cl1A C1S Cl1B 112.6(5) . .
F3 B1 F1 124.5(13) . .
F3 B1 F2 114.5(9) . .
F1 B1 F2 112.5(8) . .
F3 B1 F4 100.3(9) . .
F1 B1 F4 100.7(10) . .
F2 B1 F4 98.0(11) . .
F8 B2 F6 110.4(8) . .
F8 B2 F7 112.4(10) . .
F6 B2 F7 105.6(9) . .
F8 B2 F5 111.2(9) . .
F6 B2 F5 108.0(9) . .
F7 B2 F5 109.0(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os1 C11 2.015(6) .
Os1 C1 2.069(6) .
Os1 C7 2.074(5) .
Os1 C4 2.095(6) .
Os1 C12 2.203(7) .
Os1 P2 2.4093(16) .
Os1 P1 2.4255(17) .
P1 C111 1.830(6) .
P1 C121 1.833(6) .
P1 C131 1.851(6) .
P2 C211 1.832(6) .
P2 C221 1.840(6) .
P2 C231 1.836(6) .
P3 C331 1.793(6) .
P3 C2 1.794(6) .
P3 C321 1.794(6) .
P3 C311 1.797(6) .
C1 C2 1.384(8) .
C2 C3 1.442(8) .
C3 C4 1.370(7) .
C4 C5 1.431(7) .
C5 C6 1.360(8) .
C6 C7 1.444(8) .
C7 C8 1.434(7) .
C8 C9 1.354(8) .
C9 C10 1.431(8) .
C9 C13 1.499(8) .
C10 C11 1.362(8) .
C11 C12 1.394(8) .
C12 C14 1.498(8) .
C111 C116 1.395(9) .
C111 C112 1.397(9) .
C112 C113 1.353(10) .
C113 C114 1.375(11) .
C114 C115 1.371(10) .
C115 C116 1.366(9) .
C121 C126 1.397(9) .
C121 C122 1.397(8) .
C122 C123 1.385(9) .
C123 C124 1.381(10) .
C124 C125 1.362(10) .
C125 C126 1.389(9) .
C131 C136 1.377(8) .
C131 C132 1.403(8) .
C132 C133 1.374(9) .
C133 C134 1.379(10) .
C134 C135 1.368(9) .
C135 C136 1.392(8) .
C211 C212 1.384(8) .
C211 C216 1.388(8) .
C212 C213 1.373(8) .
C213 C214 1.369(9) .
C214 C215 1.368(9) .
C215 C216 1.400(8) .
C221 C226 1.377(8) .
C221 C222 1.395(8) .
C222 C223 1.382(8) .
C223 C224 1.384(9) .
C224 C225 1.361(9) .
C225 C226 1.392(8) .
C231 C236 1.384(8) .
C231 C232 1.404(8) .
C232 C233 1.393(8) .
C233 C234 1.371(9) .
C234 C235 1.383(9) .
C235 C236 1.377(8) .
C311 C312 1.390(8) .
C311 C316 1.401(9) .
C312 C313 1.385(10) .
C313 C314 1.366(11) .
C314 C315 1.364(11) .
C315 C316 1.371(9) .
C321 C326 1.376(9) .
C321 C322 1.389(8) .
C322 C323 1.383(8) .
C323 C324 1.384(9) .
C324 C325 1.380(9) .
C325 C326 1.381(9) .
C331 C336 1.389(8) .
C331 C332 1.392(8) .
C332 C333 1.382(8) .
C333 C334 1.373(10) .
C334 C335 1.370(10) .
C335 C336 1.389(8) .
Os2 C31 2.025(6) .
Os2 C27 2.045(6) .
Os2 C21 2.076(6) .
Os2 C24 2.120(6) .
Os2 C32 2.220(5) .
Os2 P5 2.4061(17) .
Os2 P4 2.4230(17) .
P4 C431 1.832(6) .
P4 C421 1.843(6) .
P4 C411 1.849(6) .
P5 C511 1.823(6) .
P5 C521 1.826(6) .
P5 C531 1.831(6) .
P6 C22 1.789(6) .
P6 C611 1.791(7) .
P6 C631 1.797(6) .
P6 C621 1.801(6) .
C21 C22 1.369(8) .
C22 C23 1.429(8) .
C23 C24 1.348(8) .
C24 C25 1.426(8) .
C25 C26 1.343(9) .
C26 C27 1.453(8) .
C27 C28 1.435(8) .
C28 C29 1.348(8) .
C29 C30 1.397(9) .
C29 C33 1.510(9) .
C30 C31 1.356(8) .
C31 C32 1.399(8) .
C32 C34 1.506(8) .
C411 C416 1.398(9) .
C411 C412 1.413(9) .
C412 C413 1.385(8) .
C413 C414 1.364(10) .
C414 C415 1.356(10) .
C415 C416 1.402(9) .
C421 C422 1.384(8) .
C421 C426 1.388(8) .
C422 C423 1.395(9) .
C423 C424 1.381(9) .
C424 C425 1.368(9) .
C425 C426 1.377(9) .
C431 C432 1.382(9) .
C431 C436 1.395(8) .
C432 C433 1.398(9) .
C433 C434 1.369(9) .
C434 C435 1.354(9) .
C435 C436 1.373(9) .
C511 C512 1.389(9) .
C511 C516 1.400(8) .
C512 C513 1.390(8) .
C513 C514 1.379(10) .
C514 C515 1.377(11) .
C515 C516 1.398(9) .
C521 C526 1.389(8) .
C521 C522 1.408(8) .
C522 C523 1.368(9) .
C523 C524 1.381(10) .
C524 C525 1.378(9) .
C525 C526 1.375(9) .
C531 C536 1.388(8) .
C531 C532 1.385(8) .
C532 C533 1.384(9) .
C533 C534 1.370(9) .
C534 C535 1.388(9) .
C535 C536 1.375(8) .
C611 C616 1.397(8) .
C611 C612 1.397(9) .
C612 C613 1.370(9) .
C613 C614 1.374(11) .
C614 C615 1.358(12) .
C615 C616 1.373(10) .
C621 C622 1.382(9) .
C621 C626 1.390(9) .
C622 C623 1.401(9) .
C623 C624 1.378(11) .
C624 C625 1.338(10) .
C625 C626 1.390(9) .
C631 C636 1.394(9) .
C631 C632 1.388(8) .
C632 C633 1.404(9) .
C633 C634 1.358(10) .
C634 C635 1.364(9) .
C635 C636 1.387(8) .
C1S Cl1A 1.695(8) .
C1S Cl1B 1.725(8) .
B1 F3 1.192(13) .
B1 F1 1.314(10) .
B1 F2 1.368(11) .
B1 F4 1.543(16) .
B2 F8 1.303(11) .
B2 F6 1.360(11) .
B2 F7 1.365(11) .
B2 F5 1.370(10) .
