#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/58/2005872.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2005872
loop_
_publ_author_name
'Bruhn, C.'
'Preetz, W.'
_publ_section_title
;
 Bis[bis(triphenylphosphoranylidene)ammonium]
 Pentachlorofluoroosmate(IV) Hydrate, [(C₆H₅)₃P= N=
 P(C₆H₅)₃]₂[OsFCl₅].H₂O
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              63
_journal_page_last               66
_journal_paper_doi               10.1107/S010827019601061X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '(C36 H30 N1 P2)2 [Os1 Cl5 F1], H2 O1'
_chemical_formula_structural
'[(C~6~H~5~)~3~P=N=P(C~6~H~5~)~3~]~2~[OsFCl~5~](H~2~O)'
_chemical_formula_sum            'C72 H62 Cl5 F N2 O Os P4'
_chemical_formula_weight         1481.653
_chemical_name_systematic
;
Di-[bis-(triphenylphosphoranylidene)-ammonium Fluoropentachloroosmate(IV)
Hydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.
_cell_angle_beta                 105.11(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   21.374(6)
_cell_length_b                   13.072(8)
_cell_length_c                   23.771(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      10.10
_cell_measurement_theta_min      1.77
_cell_volume                     6412(5)
_computing_cell_refinement       CAD-4-PC
_computing_data_collection       'CAD-4-PC (Enraf-Nonius, 1994)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0885
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11596
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        0.5
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.349
_exptl_absorpt_correction_T_max  0.63
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type
'empirical via \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2984
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.178
_refine_diff_density_min         -0.728
_refine_ls_extinction_coef       0.00034(2)
_refine_ls_extinction_method     SHELXL93
_refine_ls_goodness_of_fit_all   1.162
_refine_ls_goodness_of_fit_obs   1.108
_refine_ls_hydrogen_treatment
'Water H atoms were refined with bond-length restraints, other H atoms riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     782
_refine_ls_number_reflns         11268
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.164
_refine_ls_restrained_S_obs      1.108
_refine_ls_R_factor_all          0.1222
_refine_ls_R_factor_obs          0.0479
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(Fo^2^) + (0.0135P)^2^ + 22.6947P]
where P = (Fo^2^ + 2Fc^2^)/3
;
_refine_ls_wR_factor_all         0.1060
_refine_ls_wR_factor_obs         0.0760
_reflns_number_observed          6705
_reflns_number_total             11272
_reflns_observed_criterion       >2\s(I)
_cod_data_source_file            jz1142.cif
_cod_data_source_block           osfcl5
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2005872
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_type_symbol
Os 1 0.759170(15) 0.50441(3) 0.009470(13) 0.02621(9) Uani d . Os
Cl1 1 0.77988(10) 0.5021(2) 0.10968(8) 0.0444(5) Uani d . Cl
Cl2 1 0.65692(10) 0.5785(2) -0.00170(9) 0.0398(5) Uani d . Cl
Cl3 1 0.86010(11) 0.4313(2) 0.01531(11) 0.0482(6) Uani d . Cl
Cl4 1 0.71226(12) 0.3415(2) 0.00371(10) 0.0450(6) Uani d . Cl
Cl5 1 0.80401(10) 0.6684(2) 0.01136(9) 0.0382(5) Uani d . Cl
F 1 0.7421(2) 0.5060(4) -0.0756(2) 0.0372(10) Uani d . F
N1 1 0.9262(3) 0.9011(5) 0.1904(3) 0.028(2) Uani d . N
P1 1 0.87204(11) 0.9464(2) 0.21798(10) 0.0228(5) Uani d . P
P2 1 0.96090(10) 0.9283(2) 0.14088(9) 0.0240(5) Uani d . P
C1 1 0.8618(4) 1.0822(6) 0.2098(4) 0.026(2) Uani d . C
C2 1 0.9094(4) 1.1449(6) 0.2445(3) 0.029(2) Uani d . C
H2 1 0.9415(4) 1.1163(6) 0.2753(3) 0.035 Uiso calc R H
C3 1 0.9095(5) 1.2485(6) 0.2336(4) 0.041(2) Uani d . C
H3 1 0.9420(5) 1.2900(6) 0.2570(4) 0.049 Uiso calc R H
C4 1 0.8627(5) 1.2923(6) 0.1891(4) 0.044(2) Uani d . C
H4 1 0.8633(5) 1.3629(6) 0.1817(4) 0.053 Uiso calc R H
C5 1 0.8147(5) 1.2303(7) 0.1554(4) 0.042(3) Uani d . C
H5 1 0.7823(5) 1.2597(7) 0.1251(4) 0.050 Uiso calc R H
C6 1 0.8135(4) 1.1267(7) 0.1654(4) 0.037(2) Uani d . C
H6 1 0.7802(4) 1.0860(7) 0.1424(4) 0.044 Uiso calc R H
C7 1 0.7946(4) 0.8882(6) 0.1885(3) 0.025(2) Uani d . C
C8 1 0.7402(4) 0.9285(6) 0.2010(4) 0.034(2) Uani d . C
H8 1 0.7431(4) 0.9898(6) 0.2221(4) 0.041 Uiso calc R H
C9 1 0.6812(4) 0.8790(7) 0.1825(4) 0.040(2) Uani d . C
H9 1 0.6442(4) 0.9071(7) 0.1910(4) 0.048 Uiso calc R H
C10 1 0.6764(4) 0.7892(7) 0.1520(4) 0.041(2) Uani d . C
H10 1 0.6364(4) 0.7550(7) 0.1408(4) 0.049 Uiso calc R H
C11 1 0.7290(4) 0.7491(7) 0.1378(4) 0.040(2) Uani d . C
H11 1 0.7252(4) 0.6883(7) 0.1160(4) 0.048 Uiso calc R H
C12 1 0.7884(4) 0.7988(6) 0.1560(4) 0.032(2) Uani d . C
H12 1 0.8249(4) 0.7716(6) 0.1460(4) 0.038 Uiso calc R H
C13 1 0.8948(4) 0.9172(6) 0.2944(3) 0.024(2) Uani d . C
C14 1 0.9528(4) 0.8682(7) 0.3190(3) 0.032(2) Uani d . C
H14 1 0.9807(4) 0.8510(7) 0.2957(3) 0.039 Uiso calc R H
C15 1 0.9699(5) 0.8445(7) 0.3773(4) 0.045(3) Uani d . C
H15 1 1.0101(5) 0.8136(7) 0.3942(4) 0.054 Uiso calc R H
C16 1 0.9280(5) 0.8660(7) 0.4109(4) 0.045(2) Uani d . C
H16 1 0.9394(5) 0.8480(7) 0.4506(4) 0.054 Uiso calc R H
C17 1 0.8696(5) 0.9137(8) 0.3873(4) 0.047(3) Uani d . C
H17 1 0.8411(5) 0.9285(8) 0.4103(4) 0.056 Uiso calc R H
C18 1 0.8539(4) 0.9393(7) 0.3289(4) 0.038(2) Uani d . C
H18 1 0.8143(4) 0.9724(7) 0.3123(4) 0.045 Uiso calc R H
C19 1 0.9118(3) 0.9896(7) 0.0769(3) 0.028(2) Uani d . C
C20 1 0.9027(4) 1.0958(7) 0.0757(4) 0.037(2) Uani d . C
H20 1 0.9245(4) 1.1355(7) 0.1079(4) 0.044 Uiso calc R H
C21 1 0.8625(5) 1.1427(8) 0.0283(5) 0.051(3) Uani d . C
H21 1 0.8564(5) 1.2139(8) 0.0280(5) 0.061 Uiso calc R H
C22 1 0.8311(5) 1.0849(10) -0.0190(5) 0.061(3) Uani d . C
H22 1 0.8036(5) 1.1165(10) -0.0517(5) 0.073 Uiso calc R H
C23 1 0.8400(4) 0.9809(10) -0.0183(4) 0.061(3) Uani d . C
H23 1 0.8187(4) 0.9418(10) -0.0508(4) 0.073 Uiso calc R H
C24 1 0.8798(4) 0.9331(8) 0.0295(4) 0.044(2) Uani d . C
H24 1 0.8849(4) 0.8617(8) 0.0296(4) 0.053 Uiso calc R H
C25 1 1.0312(3) 1.0092(7) 0.1680(3) 0.028(2) Uani d . C
C26 1 1.0564(4) 1.0196(6) 0.2275(4) 0.031(2) Uani d . C
H26 1 1.0359(4) 0.9876(6) 0.2533(4) 0.037 Uiso calc R H
C27 1 1.1125(4) 1.0779(7) 0.2491(4) 0.044(2) Uani d . C
H27 1 1.1302(4) 1.0842(7) 0.2895(4) 0.053 Uiso calc R H
C28 1 1.1414(4) 1.1257(7) 0.2111(5) 0.049(3) Uani d . C
H28 1 1.1792(4) 1.1645(7) 0.2258(5) 0.059 Uiso calc R H
C29 1 1.1165(4) 1.1182(7) 0.1525(5) 0.046(3) Uani d . C
H29 1 1.1363(4) 1.1522(7) 0.1269(5) 0.055 Uiso calc R H
C30 1 1.0604(4) 1.0585(7) 0.1307(4) 0.036(2) Uani d . C
H30 1 1.0429(4) 1.0525(7) 0.0903(4) 0.044 Uiso calc R H
C31 1 0.9864(3) 0.8092(6) 0.1156(3) 0.024(2) Uani d . C
C32 1 0.9598(4) 0.7171(6) 0.1290(3) 0.031(2) Uani d . C
H32 1 0.9328(4) 0.7172(6) 0.1546(3) 0.038 Uiso calc R H
C33 1 0.9731(4) 0.6275(7) 0.1052(4) 0.043(2) Uani d . C
H33 1 0.9545(4) 0.5662(7) 0.1137(4) 0.052 Uiso calc R H
C34 1 1.0141(4) 0.6265(7) 0.0683(4) 0.044(2) Uani d . C
H34 1 1.0234(4) 0.5646(7) 0.0521(4) 0.052 Uiso calc R H
C35 1 1.0411(4) 0.7166(8) 0.0555(4) 0.046(3) Uani d . C
H35 1 1.0692(4) 0.7160(8) 0.0310(4) 0.055 Uiso calc R H
C36 1 1.0267(4) 0.8079(7) 0.0790(4) 0.038(2) Uani d . C
H36 1 1.0446(4) 0.8693(7) 0.0698(4) 0.045 Uiso calc R H
N2 1 0.5676(3) 0.0871(5) -0.1829(3) 0.0254(15) Uani d . N
P3 1 0.54007(9) 0.0568(2) -0.12957(9) 0.0231(4) Uani d . P
P4 1 0.62522(10) 0.0517(2) -0.20895(9) 0.0226(5) Uani d . P
C37 1 0.5983(3) 0.0101(7) -0.0662(3) 0.024(2) Uani d . C
C38 1 0.6093(4) -0.0948(7) -0.0579(4) 0.035(2) Uani d . C
H38 1 0.5833(4) -0.1427(7) -0.0830(4) 0.042 Uiso calc R H
C39 1 0.6605(5) -0.1269(8) -0.0106(4) 0.049(3) Uani d . C
H39 1 0.6693(5) -0.1969(8) -0.0038(4) 0.059 Uiso calc R H
C40 1 0.6973(5) -0.0551(10) 0.0250(4) 0.047(3) Uani d . C
H40 1 0.7306(5) -0.0768(10) 0.0571(4) 0.057 Uiso calc R H
C41 1 0.6870(5) 0.0464(9) 0.0154(5) 0.052(3) Uani d . C
H41 1 0.7140(5) 0.0941(9) 0.0398(5) 0.062 Uiso calc R H
C42 1 0.6369(4) 0.0800(7) -0.0301(4) 0.033(2) Uani d . C
H42 1 0.6293(4) 0.1505(7) -0.0363(4) 0.040 Uiso calc R H
C43 1 0.5081(3) 0.1716(6) -0.1059(3) 0.025(2) Uani d . C
C44 1 0.5121(4) 0.2631(6) -0.1330(3) 0.027(2) Uani d . C
H44 1 0.5280(4) 0.2650(6) -0.1663(3) 0.033 Uiso calc R H
C45 1 0.4928(4) 0.3527(6) -0.1113(4) 0.034(2) Uani d . C
H45 1 0.4962(4) 0.4156(6) -0.1294(4) 0.041 Uiso calc R H
C46 1 0.4683(4) 0.3490(6) -0.0624(4) 0.031(2) Uani d . C
H46 1 0.4549(4) 0.4095(6) -0.0476(4) 0.037 Uiso calc R H
C47 1 0.4638(4) 0.2576(7) -0.0361(4) 0.034(2) Uani d . C
H47 1 0.4474(4) 0.2558(7) -0.0031(4) 0.040 Uiso calc R H
C48 1 0.4828(4) 0.1682(6) -0.0570(3) 0.030(2) Uani d . C
H48 1 0.4789(4) 0.1055(6) -0.0388(3) 0.036 Uiso calc R H
C49 1 0.4744(4) -0.0335(6) -0.1516(3) 0.026(2) Uani d . C
C50 1 0.4448(4) -0.0783(6) -0.1120(4) 0.034(2) Uani d . C
H50 1 0.4607(4) -0.0654(6) -0.0719(4) 0.041 Uiso calc R H
C51 1 0.3923(4) -0.1413(7) -0.1316(4) 0.042(2) Uani d . C
H51 1 0.3735(4) -0.1733(7) -0.1046(4) 0.050 Uiso calc R H
C52 1 0.3670(4) -0.1581(7) -0.1894(4) 0.045(2) Uani d . C
H52 1 0.3301(4) -0.1998(7) -0.2019(4) 0.054 Uiso calc R H
C53 1 0.3941(4) -0.1158(7) -0.2295(4) 0.046(2) Uani d . C
H53 1 0.3767(4) -0.1295(7) -0.2693(4) 0.055 Uiso calc R H
C54 1 0.4479(4) -0.0519(6) -0.2115(4) 0.033(2) Uani d . C
H54 1 0.4663(4) -0.0213(6) -0.2392(4) 0.040 Uiso calc R H
C55 1 0.6481(4) -0.0809(6) -0.1952(4) 0.025(2) Uani d . C
C56 1 0.6088(5) -0.1561(7) -0.2273(4) 0.043(2) Uani d . C
H56 1 0.5743(5) -0.1382(7) -0.2594(4) 0.051 Uiso calc R H
C57 1 0.6206(5) -0.2566(7) -0.2120(5) 0.058(3) Uani d . C
H57 1 0.5929(5) -0.3073(7) -0.2329(5) 0.069 Uiso calc R H
C58 1 0.6723(6) -0.2851(8) -0.1665(5) 0.065(3) Uani d . C
H58 1 0.6805(6) -0.3545(8) -0.1572(5) 0.078 Uiso calc R H
C59 1 0.7113(6) -0.2106(8) -0.1353(5) 0.058(3) Uani d . C
H59 1 0.7468(6) -0.2288(8) -0.1043(5) 0.070 Uiso calc R H
C60 1 0.6987(5) -0.1087(7) -0.1492(4) 0.044(2) Uani d . C
H60 1 0.7251(5) -0.0580(7) -0.1269(4) 0.052 Uiso calc R H
C61 1 0.5984(4) 0.0717(6) -0.2868(3) 0.023(2) Uani d . C
C62 1 0.5388(4) 0.1154(6) -0.3107(3) 0.030(2) Uani d . C
H62 1 0.5116(4) 0.1326(6) -0.2868(3) 0.036 Uiso calc R H
C63 1 0.5194(5) 0.1338(7) -0.3695(4) 0.043(3) Uani d . C
H63 1 0.4777(5) 0.1603(7) -0.3857(4) 0.051 Uiso calc R H
C64 1 0.5584(5) 0.1148(7) -0.4046(4) 0.047(3) Uani d . C
H64 1 0.5449(5) 0.1302(7) -0.4446(4) 0.057 Uiso calc R H
C65 1 0.6188(5) 0.0722(7) -0.3806(4) 0.045(3) Uani d . C
H65 1 0.6465(5) 0.0585(7) -0.4046(4) 0.054 Uiso calc R H
C66 1 0.6389(4) 0.0494(7) -0.3221(4) 0.039(2) Uani d . C
H66 1 0.6796(4) 0.0192(7) -0.3063(4) 0.046 Uiso calc R H
C67 1 0.6967(4) 0.1277(6) -0.1829(3) 0.022(2) Uani d . C
C68 1 0.6942(5) 0.2176(7) -0.1528(4) 0.037(2) Uani d . C
H68 1 0.6560(5) 0.2352(7) -0.1425(4) 0.045 Uiso calc R H
C69 1 0.7473(5) 0.2816(7) -0.1376(4) 0.042(2) Uani d . C
H69 1 0.7451(5) 0.3424(7) -0.1171(4) 0.050 Uiso calc R H
C70 1 0.8029(4) 0.2568(7) -0.1524(4) 0.046(2) Uani d . C
H70 1 0.8385(4) 0.3016(7) -0.1432(4) 0.055 Uiso calc R H
C71 1 0.8070(4) 0.1673(8) -0.1805(4) 0.044(2) Uani d . C
H71 1 0.8460(4) 0.1496(8) -0.1891(4) 0.053 Uiso calc R H
C72 1 0.7550(4) 0.1031(7) -0.1961(4) 0.041(2) Uani d . C
H72 1 0.7583(4) 0.0419(7) -0.2159(4) 0.049 Uiso calc R H
O 1 0.6178(4) 0.4662(7) -0.1384(3) 0.084(3) Uani d D O
HO1 1 0.6664(16) 0.4657(90) -0.1230(45) 0.101 Uiso d D H
HO2 1 0.5922(43) 0.4722(94) -0.1084(34) 0.101 Uiso d D H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F .0171 .0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .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'
O O .0106 .0060 '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_publ_flag
F Os Cl1 179.63(14) y
F Os Cl3 89.20(15) y
Cl1 Os Cl3 90.44(9) y
F Os Cl2 87.80(14) y
Cl1 Os Cl2 92.56(8) y
Cl3 Os Cl2 176.99(9) y
F Os Cl4 89.3(2) y
Cl1 Os Cl4 90.72(9) y
Cl3 Os Cl4 90.35(9) y
Cl2 Os Cl4 89.81(9) y
F Os Cl5 88.6(2) y
Cl1 Os Cl5 91.41(9) y
Cl3 Os Cl5 90.36(9) y
Cl2 Os Cl5 89.37(9) y
Cl4 Os Cl5 177.75(8) y
HO1 F Os 123.(3) ?
HO1 F O 9.(3) ?
Os F O 117.0(2) ?
P1 N1 P2 139.1(5) y
N1 P1 C7 112.3(4) ?
N1 P1 C1 114.0(4) ?
C7 P1 C1 107.7(4) ?
N1 P1 C13 107.7(4) ?
C7 P1 C13 106.6(4) ?
C1 P1 C13 108.3(4) ?
N1 P2 C19 116.5(3) ?
N1 P2 C31 107.1(4) ?
C19 P2 C31 105.3(4) ?
N1 P2 C25 111.8(3) ?
C19 P2 C25 106.7(4) ?
C31 P2 C25 109.1(4) ?
C6 C1 C2 118.9(8) ?
C6 C1 P1 122.7(7) ?
C2 C1 P1 117.8(6) ?
C3 C2 C1 120.1(8) ?
C3 C2 H2 119.9(5) ?
C1 C2 H2 119.9(5) ?
C4 C3 C2 121.0(8) ?
C4 C3 H3 119.5(5) ?
C2 C3 H3 119.5(5) ?
C3 C4 C5 118.8(8) ?
C3 C4 H4 120.6(5) ?
C5 C4 H4 120.6(5) ?
C6 C5 C4 121.2(9) ?
C6 C5 H5 119.4(6) ?
C4 C5 H5 119.4(5) ?
C5 C6 C1 119.8(9) ?
C5 C6 H6 120.1(6) ?
C1 C6 H6 120.1(5) ?
C8 C7 C12 118.7(8) ?
C8 C7 P1 120.0(6) ?
C12 C7 P1 121.2(6) ?
C7 C8 C9 120.2(8) ?
C7 C8 H8 119.9(5) ?
C9 C8 H8 119.9(5) ?
C10 C9 C8 120.4(8) ?
C10 C9 H9 119.8(5) ?
C8 C9 H9 119.8(5) ?
C11 C10 C9 120.6(8) ?
C11 C10 H10 119.7(5) ?
C9 C10 H10 119.7(5) ?
C10 C11 C12 119.3(8) ?
C10 C11 H11 120.3(5) ?
C12 C11 H11 120.3(5) ?
C7 C12 C11 120.7(8) ?
C7 C12 H12 119.6(5) ?
C11 C12 H12 119.6(5) ?
C18 C13 C14 119.1(7) ?
C18 C13 P1 120.7(6) ?
C14 C13 P1 120.2(6) ?
C15 C14 C13 120.3(8) ?
C15 C14 H14 119.9(6) ?
C13 C14 H14 119.9(5) ?
C14 C15 C16 119.9(8) ?
C14 C15 H15 120.1(6) ?
C16 C15 H15 120.1(5) ?
C15 C16 C17 120.8(8) ?
C15 C16 H16 119.6(5) ?
C17 C16 H16 119.6(6) ?
C16 C17 C18 118.6(9) ?
C16 C17 H17 120.7(6) ?
C18 C17 H17 120.7(6) ?
C13 C18 C17 121.4(8) ?
C13 C18 H18 119.3(5) ?
C17 C18 H18 119.3(6) ?
C24 C19 C20 118.6(8) ?
C24 C19 P2 120.8(7) ?
C20 C19 P2 120.5(7) ?
C21 C20 C19 120.9(9) ?
C21 C20 H20 119.5(6) ?
C19 C20 H20 119.5(5) ?
C20 C21 C22 119.6(10) ?
C20 C21 H21 120.2(6) ?
C22 C21 H21 120.2(6) ?
C23 C22 C21 119.9(10) ?
C23 C22 H22 120.0(7) ?
C21 C22 H22 120.0(6) ?
C22 C23 C24 120.9(10) ?
C22 C23 H23 119.6(7) ?
C24 C23 H23 119.6(7) ?
C19 C24 C23 120.1(10) ?
C19 C24 H24 120.0(6) ?
C23 C24 H24 120.0(7) ?
C30 C25 C26 119.6(8) ?
C30 C25 P2 121.2(6) ?
C26 C25 P2 119.2(6) ?
C25 C26 C27 119.8(8) ?
C25 C26 H26 120.1(5) ?
C27 C26 H26 120.1(6) ?
C28 C27 C26 119.8(9) ?
C28 C27 H27 120.1(5) ?
C26 C27 H27 120.1(6) ?
C29 C28 C27 121.2(9) ?
C29 C28 H28 119.4(6) ?
C27 C28 H28 119.4(6) ?
C28 C29 C30 119.1(9) ?
C28 C29 H29 120.5(6) ?
C30 C29 H29 120.5(6) ?
C25 C30 C29 120.6(8) ?
C25 C30 H30 119.7(5) ?
C29 C30 H30 119.7(6) ?
C36 C31 C32 119.3(8) ?
C36 C31 P2 121.1(7) ?
C32 C31 P2 119.3(6) ?
C33 C32 C31 120.2(8) ?
C33 C32 H32 119.9(6) ?
C31 C32 H32 119.9(5) ?
C32 C33 C34 120.2(9) ?
C32 C33 H33 119.9(6) ?
C34 C33 H33 119.9(6) ?
C35 C34 C33 119.9(9) ?
C35 C34 H34 120.1(5) ?
C33 C34 H34 120.1(6) ?
C34 C35 C36 119.8(9) ?
C34 C35 H35 120.1(5) ?
C36 C35 H35 120.1(6) ?
C31 C36 C35 120.5(9) ?
C31 C36 H36 119.7(5) ?
C35 C36 H36 119.7(6) ?
P3 N2 P4 136.8(4) y
N2 P3 C37 116.0(3) ?
N2 P3 C43 107.1(4) ?
C37 P3 C43 104.9(4) ?
N2 P3 C49 110.7(4) ?
C37 P3 C49 109.8(4) ?
C43 P3 C49 107.9(4) ?
N2 P4 C67 112.5(4) ?
N2 P4 C61 106.6(3) ?
C67 P4 C61 106.7(4) ?
N2 P4 C55 114.2(4) ?
C67 P4 C55 107.7(4) ?
C61 P4 C55 108.8(4) ?
C42 C37 C38 120.9(8) ?
C42 C37 P3 118.2(7) ?
C38 C37 P3 120.5(6) ?
C37 C38 C39 118.1(8) ?
C37 C38 H38 121.0(5) ?
C39 C38 H38 121.0(6) ?
C40 C39 C38 119.4(9) ?
C40 C39 H39 120.3(6) ?
C38 C39 H39 120.3(6) ?
C41 C40 C39 121.7(10) ?
C41 C40 H40 119.1(7) ?
C39 C40 H40 119.1(6) ?
C40 C41 C42 120.2(11) ?
C40 C41 H41 119.9(7) ?
C42 C41 H41 119.9(6) ?
C37 C42 C41 119.7(9) ?
C37 C42 H42 120.1(5) ?
C41 C42 H42 120.1(6) ?
C44 C43 C48 120.1(8) ?
C44 C43 P3 120.3(6) ?
C48 C43 P3 119.5(6) ?
C43 C44 C45 120.1(8) ?
C43 C44 H44 119.9(5) ?
C45 C44 H44 119.9(5) ?
C44 C45 C46 119.6(8) ?
C44 C45 H45 120.2(5) ?
C46 C45 H45 120.2(5) ?
C47 C46 C45 119.9(8) ?
C47 C46 H46 120.0(5) ?
C45 C46 H46 120.0(5) ?
C46 C47 C48 121.2(8) ?
C46 C47 H47 119.4(5) ?
C48 C47 H47 119.4(5) ?
C47 C48 C43 119.1(8) ?
C47 C48 H48 120.5(5) ?
C43 C48 H48 120.5(5) ?
C50 C49 C54 118.5(7) ?
C50 C49 P3 122.3(6) ?
C54 C49 P3 118.9(6) ?
C51 C50 C49 119.8(8) ?
C51 C50 H50 120.1(6) ?
C49 C50 H50 120.1(5) ?
C52 C51 C50 121.1(9) ?
C52 C51 H51 119.4(6) ?
C50 C51 H51 119.4(6) ?
C53 C52 C51 120.9(9) ?
C53 C52 H52 119.5(6) ?
C51 C52 H52 119.5(6) ?
C52 C53 C54 119.9(9) ?
C52 C53 H53 120.0(6) ?
C54 C53 H53 120.0(6) ?
C53 C54 C49 119.7(8) ?
C53 C54 H54 120.2(6) ?
C49 C54 H54 120.2(5) ?
C60 C55 C56 119.4(8) ?
C60 C55 P4 121.2(7) ?
C56 C55 P4 118.9(6) ?
C57 C56 C55 119.4(9) ?
C57 C56 H56 120.3(7) ?
C55 C56 H56 120.3(5) ?
C56 C57 C58 121.4(10) ?
C56 C57 H57 119.3(7) ?
C58 C57 H57 119.3(6) ?
C59 C58 C57 118.9(9) ?
C59 C58 H58 120.6(6) ?
C57 C58 H58 120.6(6) ?
C58 C59 C60 120.2(10) ?
C58 C59 H59 119.9(6) ?
C60 C59 H59 119.9(7) ?
C55 C60 C59 120.7(9) ?
C55 C60 H60 119.7(5) ?
C59 C60 H60 119.7(7) ?
C62 C61 C66 119.7(7) ?
C62 C61 P4 119.7(6) ?
C66 C61 P4 120.6(6) ?
C63 C62 C61 119.7(9) ?
C63 C62 H62 120.1(6) ?
C61 C62 H62 120.1(5) ?
C64 C63 C62 121.8(9) ?
C64 C63 H63 119.1(6) ?
C62 C63 H63 119.1(6) ?
C63 C64 C65 118.6(9) ?
C63 C64 H64 120.7(6) ?
C65 C64 H64 120.7(6) ?
C66 C65 C64 121.0(9) ?
C66 C65 H65 119.5(6) ?
C64 C65 H65 119.5(6) ?
C65 C66 C61 119.2(8) ?
C65 C66 H66 120.4(6) ?
C61 C66 H66 120.4(5) ?
C68 C67 C72 117.9(8) ?
C68 C67 P4 120.4(6) ?
C72 C67 P4 121.6(6) ?
C69 C68 C67 120.7(9) ?
C69 C68 H68 119.7(6) ?
C67 C68 H68 119.7(5) ?
C70 C69 C68 120.0(9) ?
C70 C69 H69 120.0(5) ?
C68 C69 H69 120.0(6) ?
C71 C70 C69 120.2(9) ?
C71 C70 H70 119.9(6) ?
C69 C70 H70 119.9(5) ?
C70 C71 C72 120.7(9) ?
C70 C71 H71 119.7(6) ?
C72 C71 H71 119.7(6) ?
C71 C72 C67 120.4(9) ?
C71 C72 H72 119.8(6) ?
C67 C72 H72 119.8(5) ?
F O HO1 16.(7) ?
F O HO2 103.(6) ?
HO1 O HO2 116.(9) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Os F 1.960(4) y
Os Cl1 2.307(2) y
Os Cl3 2.330(2) y
Os Cl2 2.341(2) y
Os Cl4 2.342(3) y
Os Cl5 2.344(3) y
F HO1 1.79(6) ?
F O 2.737(8) y
N1 P2 1.586(6) ?
N1 P1 1.587(7) ?
P1 C7 1.791(8) ?
P1 C1 1.794(8) ?
P1 C13 1.795(8) ?
P2 C19 1.794(8) ?
P2 C31 1.803(8) ?
P2 C25 1.813(8) ?
C1 C6 1.396(11) ?
C1 C2 1.397(11) ?
C2 C3 1.380(11) ?
C2 H2 0.94 ?
C3 C4 1.377(12) ?
C3 H3 0.94 ?
C4 C5 1.387(12) ?
C4 H4 0.94 ?
C5 C6 1.377(12) ?
C5 H5 0.94 ?
C6 H6 0.94 ?
C7 C8 1.377(11) ?
C7 C12 1.389(11) ?
C8 C9 1.382(11) ?
C8 H8 0.94 ?
C9 C10 1.369(12) ?
C9 H9 0.94 ?
C10 C11 1.361(12) ?
C10 H10 0.94 ?
C11 C12 1.392(11) ?
C11 H11 0.94 ?
C12 H12 0.94 ?
C13 C18 1.376(11) ?
C13 C14 1.382(10) ?
C14 C15 1.374(11) ?
C14 H14 0.94 ?
C15 C16 1.376(13) ?
C15 H15 0.94 ?
C16 C17 1.378(13) ?
C16 H16 0.94 ?
C17 C18 1.382(12) ?
C17 H17 0.94 ?
C18 H18 0.94 ?
C19 C24 1.373(12) ?
C19 C20 1.402(12) ?
C20 C21 1.372(12) ?
C20 H20 0.94 ?
C21 C22 1.375(15) ?
C21 H21 0.94 ?
C22 C23 1.37(2) ?
C22 H22 0.94 ?
C23 C24 1.379(12) ?
C23 H23 0.94 ?
C24 H24 0.94 ?
C25 C30 1.371(11) ?
C25 C26 1.382(10) ?
C26 C27 1.401(11) ?
C26 H26 0.94 ?
C27 C28 1.371(13) ?
C27 H27 0.94 ?
C28 C29 1.358(13) ?
C28 H28 0.94 ?
C29 C30 1.411(12) ?
C29 H29 0.94 ?
C30 H30 0.94 ?
C31 C36 1.374(11) ?
C31 C32 1.403(11) ?
C32 C33 1.362(11) ?
C32 H32 0.94 ?
C33 C34 1.394(13) ?
C33 H33 0.94 ?
C34 C35 1.379(13) ?
C34 H34 0.94 ?
C35 C36 1.386(12) ?
C35 H35 0.94 ?
C36 H36 0.94 ?
N2 P3 1.581(6) ?
N2 P4 1.585(6) ?
P3 C37 1.792(7) ?
P3 C43 1.799(8) ?
P3 C49 1.804(8) ?
P4 C67 1.792(8) ?
P4 C61 1.808(7) ?
P4 C55 1.808(8) ?
C37 C42 1.373(11) ?
C37 C38 1.397(12) ?
C38 C39 1.414(12) ?
C38 H38 0.94 ?
C39 C40 1.367(14) ?
C39 H39 0.94 ?
C40 C41 1.355(13) ?
C40 H40 0.94 ?
C41 C42 1.380(13) ?
C41 H41 0.94 ?
C42 H42 0.94 ?
C43 C44 1.372(11) ?
C43 C48 1.404(11) ?
C44 C45 1.385(11) ?
C44 H44 0.94 ?
C45 C46 1.395(12) ?
C45 H45 0.94 ?
C46 C47 1.363(11) ?
C46 H46 0.94 ?
C47 C48 1.372(11) ?
C47 H47 0.94 ?
C48 H48 0.94 ?
C49 C50 1.395(11) ?
C49 C54 1.408(11) ?
C50 C51 1.372(11) ?
C50 H50 0.94 ?
C51 C52 1.358(12) ?
C51 H51 0.94 ?
C52 C53 1.355(13) ?
C52 H52 0.94 ?
C53 C54 1.395(12) ?
C53 H53 0.94 ?
C54 H54 0.94 ?
C55 C60 1.372(11) ?
C55 C56 1.386(12) ?
C56 C57 1.369(12) ?
C56 H56 0.94 ?
C57 C58 1.380(14) ?
C57 H57 0.94 ?
C58 C59 1.37(2) ?
C58 H58 0.94 ?
C59 C60 1.381(13) ?
C59 H59 0.94 ?
C60 H60 0.94 ?
C61 C62 1.376(10) ?
C61 C66 1.384(11) ?
C62 C63 1.372(12) ?
C62 H62 0.94 ?
C63 C64 1.349(14) ?
C63 H63 0.94 ?
C64 C65 1.385(13) ?
C64 H64 0.94 ?
C65 C66 1.378(12) ?
C65 H65 0.94 ?
C66 H66 0.94 ?
C67 C68 1.385(12) ?
C67 C72 1.399(11) ?
C68 C69 1.380(12) ?
C68 H68 0.94 ?
C69 C70 1.363(12) ?
C69 H69 0.94 ?
C70 C71 1.360(13) ?
C70 H70 0.94 ?
C71 C72 1.365(12) ?
C71 H71 0.94 ?
C72 H72 0.94 ?
O HO1 1.01(3) ?
O HO2 1.01(3) ?
