#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/62/7006296.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_7006296
loop_
_publ_author_name
'Bruce, Michael I.'
'Costuas, Karine'
'Davin, Thomas'
'Halet, Jean-François'
'Kramarczuk, Kathy A.'
'Low, Paul J.'
'Nicholson, Brian K.'
'Perkins, Gary J.'
'Roberts, Rachel L.'
'Skelton, Brian W.'
'Smith, Mark E.'
'White, Allan H.'
_publ_section_title
;
 Syntheses, structures and redox properties of some complexes
 containing the Os(dppe)Cp* fragment, including [{Os(dppe)Cp*}2(mu-C
 triple bondCC triple bond C)].
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5387
_journal_page_last               5399
_journal_paper_doi               10.1039/b712104k
_journal_year                    2007
_chemical_formula_moiety         'C44 H44 Os P2, 1/4(C6 H6)'
_chemical_formula_sum            'C45.5 H45.5 Os P2'
_chemical_formula_weight         844.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.7640(10)
_cell_angle_beta                 90.6820(10)
_cell_angle_gamma                103.1450(10)
_cell_formula_units_Z            4
_cell_length_a                   11.9922(6)
_cell_length_b                   17.8922(8)
_cell_length_c                   19.8242(9)
_cell_measurement_reflns_used    6269
_cell_measurement_temperature    153
_cell_measurement_theta_max      36.5
_cell_measurement_theta_min      2.5
_cell_volume                     3733.5(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    'xtal PIG'
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      153
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .049
_diffrn_reflns_av_sigmaI/netI    .156
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            77398
_diffrn_reflns_theta_full        37.5
_diffrn_reflns_theta_max         37.5
_diffrn_reflns_theta_min         1.3
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.532
_exptl_absorpt_correction_T_max  .83
_exptl_absorpt_correction_T_min  .59
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_description       plate
_exptl_crystal_F_000             1698
_exptl_crystal_size_max          .24
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .08
_refine_diff_density_max         2.977
_refine_diff_density_min         -3.001
_refine_ls_goodness_of_fit_all   .966
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     875
_refine_ls_number_reflns         23364
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .084
_refine_ls_R_factor_gt           .038
_refine_ls_shift/su_max          .037
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .026
_refine_ls_wR_factor_ref         .024
_reflns_d_resolution_high        .582
_reflns_d_resolution_low         15.568
_reflns_Friedel_coverage         0
_reflns_limit_h_max              20
_reflns_limit_h_min              0
_reflns_limit_k_max              29
_reflns_limit_k_min              -30
_reflns_limit_l_max              33
_reflns_limit_l_min              -33
_reflns_number_gt                23364
_reflns_number_total             38378
_reflns_threshold_expression     'F > 4.00 sig(F )'
_cod_data_source_file            b712104k.txt
_cod_data_source_block           br770
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               7006296
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 .828597(10) .726457(7) .461137(6) .01397(4) Uani ? ? 1.00000 ? ?
Os2 .467946(10) .753154(7) .977366(6) .01503(4) Uani ? ? 1.00000 ? ?
P11 1.00223(6) .81460(5) .52141(4) .0163(3) Uani ? ? 1.00000 ? ?
C1111 1.1292(2) .79458(17) .47443(15) .0181(11) Uani ? ? 1.00000 ? ?
C1112 1.1702(2) .82932(18) .42525(16) .0212(12) Uani ? ? 1.00000 ? ?
C1113 1.2661(3) .81173(19) .38921(16) .0253(13) Uani ? ? 1.00000 ? ?
C1114 1.3222(2) .7577(2) .39985(16) .0259(13) Uani ? ? 1.00000 ? ?
C1115 1.2830(3) .7211(2) .44675(18) .0288(14) Uani ? ? 1.00000 ? ?
C1116 1.1880(2) .73950(19) .48338(17) .0247(13) Uani ? ? 1.00000 ? ?
C1121 1.0534(2) .83140(17) .61615(15) .0175(11) Uani ? ? 1.00000 ? ?
C1122 .9792(2) .79964(18) .65618(16) .0232(12) Uani ? ? 1.00000 ? ?
C1123 1.0163(3) .8125(2) .72829(17) .0333(15) Uani ? ? 1.00000 ? ?
C1124 1.1277(3) .8561(2) .75949(17) .0348(15) Uani ? ? 1.00000 ? ?
C1125 1.2027(3) .8883(2) .72066(17) .0322(14) Uani ? ? 1.00000 ? ?
C1126 1.1661(3) .87719(18) .64939(17) .0261(13) Uani ? ? 1.00000 ? ?
C110 1.0012(2) .92378(17) .53703(16) .0188(11) Uani ? ? 1.00000 ? ?
C120 .8896(2) .94100(17) .56911(16) .0204(12) Uani ? ? 1.00000 ? ?
P12 .76637(6) .84650(5) .51815(4) .0161(3) Uani ? ? 1.00000 ? ?
C1211 .6876(2) .87950(18) .45941(15) .0177(11) Uani ? ? 1.00000 ? ?
C1212 .6482(2) .82413(18) .38427(16) .0213(12) Uani ? ? 1.00000 ? ?
C1213 .5906(3) .8493(2) .33944(17) .0270(13) Uani ? ? 1.00000 ? ?
C1214 .5720(3) .9291(2) .36811(18) .0310(15) Uani ? ? 1.00000 ? ?
C1215 .6097(3) .9850(2) .44261(18) .0311(15) Uani ? ? 1.00000 ? ?
C1216 .6668(3) .96001(19) .48800(17) .0249(13) Uani ? ? 1.00000 ? ?
C1221 .6696(2) .85224(17) .59055(15) .0179(11) Uani ? ? 1.00000 ? ?
C1222 .7130(3) .8657(2) .66144(17) .0264(13) Uani ? ? 1.00000 ? ?
C1223 .6389(3) .8630(2) .71460(17) .0343(15) Uani ? ? 1.00000 ? ?
C1224 .5220(3) .8458(2) .69780(18) .0349(15) Uani ? ? 1.00000 ? ?
C1225 .4780(3) .8328(2) .62772(18) .0323(14) Uani ? ? 1.00000 ? ?
C1226 .5506(2) .83642(18) .57476(16) .0238(12) Uani ? ? 1.00000 ? ?
C11 .8786(2) .76927(17) .38365(15) .0178(11) Uani ? ? 1.00000 ? ?
C12 .9085(2) .79734(18) .33944(16) .0220(12) Uani ? ? 1.00000 ? ?
C121 .9545(2) .83705(18) .29208(15) .0203(11) Uani ? ? 1.00000 ? ?
C122 .9009(3) .89177(19) .27733(16) .0255(13) Uani ? ? 1.00000 ? ?
C123 .9471(3) .9299(2) .23225(19) .0386(17) Uani ? ? 1.00000 ? ?
C124 1.0456(3) .9144(2) .2010(2) .0485(19) Uani ? ? 1.00000 ? ?
C125 1.0986(3) .8595(2) .2140(2) .0436(18) Uani ? ? 1.00000 ? ?
C126 1.0537(3) .8213(2) .25862(17) .0292(14) Uani ? ? 1.00000 ? ?
C101 .8342(2) .59138(17) .39397(16) .0213(12) Uani ? ? 1.00000 ? ?
C1011 .9224(3) .5610(2) .3422(2) .0374(15) Uani ? ? 1.00000 ? ?
C102 .8379(2) .60717(17) .47110(17) .0225(12) Uani ? ? 1.00000 ? ?
C1021 .9284(3) .5923(2) .5138(2) .0346(15) Uani ? ? 1.00000 ? ?
C103 .7332(2) .62679(17) .49701(15) .0204(11) Uani ? ? 1.00000 ? ?
C1031 .6917(3) .6341(2) .57013(17) .0321(14) Uani ? ? 1.00000 ? ?
C104 .6633(2) .62223(17) .43589(16) .0178(11) Uani ? ? 1.00000 ? ?
C1041 .5410(3) .6270(2) .43419(18) .0280(13) Uani ? ? 1.00000 ? ?
C105 .7256(2) .60040(17) .37216(15) .0209(11) Uani ? ? 1.00000 ? ?
C1051 .6816(3) .5815(2) .29364(17) .0309(14) Uani ? ? 1.00000 ? ?
P21 .30276(7) .66015(5) .97561(4) .0174(3) Uani ? ? 1.00000 ? ?
C2111 .1677(2) .66733(18) .93763(16) .0208(12) Uani ? ? 1.00000 ? ?
C2112 .1261(3) .6229(2) .86137(17) .0320(14) Uani ? ? 1.00000 ? ?
C2113 .0266(3) .6350(2) .83469(19) .0429(17) Uani ? ? 1.00000 ? ?
C2114 -.0320(3) .6884(2) .8823(2) .0423(17) Uani ? ? 1.00000 ? ?
C2115 .0077(3) .7320(2) .9574(2) .0335(15) Uani ? ? 1.00000 ? ?
C2116 .1065(3) .7213(2) .98477(17) .0279(13) Uani ? ? 1.00000 ? ?
C2121 .2565(2) .65003(18) 1.06012(16) .0201(12) Uani ? ? 1.00000 ? ?
C2122 .3241(3) .69879(18) 1.12880(16) .0240(13) Uani ? ? 1.00000 ? ?
C2123 .2906(3) .6910(2) 1.19297(17) .0318(15) Uani ? ? 1.00000 ? ?
C2124 .1900(3) .6344(2) 1.18962(18) .0321(15) Uani ? ? 1.00000 ? ?
C2125 .1221(3) .5836(2) 1.1209(2) .0360(16) Uani ? ? 1.00000 ? ?
C2126 .1554(3) .5913(2) 1.05721(17) .0280(13) Uani ? ? 1.00000 ? ?
C210 .3152(2) .55218(17) .91704(16) .0227(12) Uani ? ? 1.00000 ? ?
C220 .4318(3) .54602(18) .94245(17) .0253(13) Uani ? ? 1.00000 ? ?
P22 .54451(7) .64017(5) .95129(4) .0187(3) Uani ? ? 1.00000 ? ?
C2211 .6102(2) .60157(19) .86297(16) .0234(12) Uani ? ? 1.00000 ? ?
C2212 .6461(3) .6565(2) .83044(17) .0267(13) Uani ? ? 1.00000 ? ?
C2213 .6953(3) .6316(2) .76371(18) .0347(15) Uani ? ? 1.00000 ? ?
C2214 .7067(3) .5501(2) .72815(18) .0425(17) Uani ? ? 1.00000 ? ?
C2215 .6720(3) .4936(2) .75944(18) .0442(17) Uani ? ? 1.00000 ? ?
C2216 .6244(3) .5189(2) .82675(18) .0333(15) Uani ? ? 1.00000 ? ?
C2221 .6560(3) .64748(17) 1.02015(16) .0219(12) Uani ? ? 1.00000 ? ?
C2222 .6321(3) .6738(2) 1.09447(17) .0274(13) Uani ? ? 1.00000 ? ?
C2223 .7131(3) .6831(2) 1.14930(17) .0320(15) Uani ? ? 1.00000 ? ?
C2224 .8188(3) .66659(19) 1.13191(18) .0324(14) Uani ? ? 1.00000 ? ?
C2225 .8431(3) .6417(2) 1.05956(19) .0322(14) Uani ? ? 1.00000 ? ?
C2226 .7620(3) .6312(2) 1.00323(17) .0262(13) Uani ? ? 1.00000 ? ?
C21 .4126(2) .70204(17) .86740(15) .0181(11) Uani ? ? 1.00000 ? ?
C22 .3828(2) .67825(18) .80174(16) .0207(12) Uani ? ? 1.00000 ? ?
C221 .3463(2) .65485(17) .72472(15) .0199(11) Uani ? ? 1.00000 ? ?
C222 .4048(3) .61064(18) .66690(17) .0246(13) Uani ? ? 1.00000 ? ?
C223 .3690(3) .59068(19) .59312(16) .0292(14) Uani ? ? 1.00000 ? ?
C224 .2741(3) .6133(2) .57592(17) .0321(14) Uani ? ? 1.00000 ? ?
C225 .2151(3) .6569(2) .63231(18) .0359(16) Uani ? ? 1.00000 ? ?
C226 .2501(3) .6771(2) .70573(17) .0289(14) Uani ? ? 1.00000 ? ?
C201 .4535(3) .88074(17) .99129(16) .0218(12) Uani ? ? 1.00000 ? ?
C2011 .3648(3) .8949(2) .94687(18) .0311(14) Uani ? ? 1.00000 ? ?
C202 .4477(3) .87976(17) 1.06289(16) .0229(12) Uani ? ? 1.00000 ? ?
C2021 .3526(3) .89839(19) 1.11108(18) .0321(15) Uani ? ? 1.00000 ? ?
C203 .5545(3) .86866(17) 1.08640(16) .0229(12) Uani ? ? 1.00000 ? ?
C2031 .5920(3) .8797(2) 1.16327(17) .0339(14) Uani ? ? 1.00000 ? ?
C204 .6281(2) .86363(17) 1.02860(16) .0233(12) Uani ? ? 1.00000 ? ?
C2041 .7510(3) .8601(2) 1.03371(18) .0321(14) Uani ? ? 1.00000 ? ?
C205 .5663(3) .87156(17) .97039(16) .0227(12) Uani ? ? 1.00000 ? ?
C2051 .6132(3) .8787(2) .90310(17) .0322(15) Uani ? ? 1.00000 ? ?
C01 .9711(3) .0722(2) .0487(2) .0432(18) Uani ? ? 1.00000 ? ?
C02 1.0424(3) .0371(2) .0746(2) .0410(17) Uani ? ? 1.00000 ? ?
C03 1.0708(3) -.0346(2) .0258(2) .0442(19) Uani ? ? 1.00000 ? ?
H1112 1.13057 .86614 .41662 .02700 Uiso ? ? 1.00000 ? ?
H1113 1.29393 .83735 .35657 .03300 Uiso ? ? 1.00000 ? ?
H1114 1.38815 .74488 .37472 .03300 Uiso ? ? 1.00000 ? ?
H1115 1.32142 .68289 .45442 .03700 Uiso ? ? 1.00000 ? ?
H1116 1.16122 .71411 .51671 .03200 Uiso ? ? 1.00000 ? ?
H1122 .90169 .76815 .63385 .02900 Uiso ? ? 1.00000 ? ?
H1123 .96356 .79062 .75595 .04200 Uiso ? ? 1.00000 ? ?
H1124 1.15485 .86366 .80854 .04400 Uiso ? ? 1.00000 ? ?
H1125 1.28108 .91875 .74243 .04100 Uiso ? ? 1.00000 ? ?
H1126 1.21867 .90063 .62287 .03400 Uiso ? ? 1.00000 ? ?
H110a 1.06724 .96353 .57069 .02400 Uiso ? ? 1.00000 ? ?
H110b 1.00444 .92808 .49050 .02400 Uiso ? ? 1.00000 ? ?
H120a .87589 .98923 .56475 .02500 Uiso ? ? 1.00000 ? ?
H120b .89765 .95304 .62101 .02500 Uiso ? ? 1.00000 ? ?
H1212 .66136 .76841 .36425 .02800 Uiso ? ? 1.00000 ? ?
H1213 .56311 .81003 .28795 .03500 Uiso ? ? 1.00000 ? ?
H1214 .53320 .94634 .33641 .03900 Uiso ? ? 1.00000 ? ?
H1215 .59727 1.04137 .46308 .04000 Uiso ? ? 1.00000 ? ?
H1216 .69148 .99848 .53978 .03100 Uiso ? ? 1.00000 ? ?
H1222 .79474 .87761 .67393 .03300 Uiso ? ? 1.00000 ? ?
H1223 .67106 .87458 .76364 .04300 Uiso ? ? 1.00000 ? ?
H1224 .47167 .84218 .73417 .04300 Uiso ? ? 1.00000 ? ?
H1225 .39534 .82073 .61558 .04100 Uiso ? ? 1.00000 ? ?
H1226 .51913 .82836 .52674 .03100 Uiso ? ? 1.00000 ? ?
H122 .83144 .90264 .29850 .03300 Uiso ? ? 1.00000 ? ?
H123 .90966 .96801 .22327 .04900 Uiso ? ? 1.00000 ? ?
H124 1.07752 .94082 .16954 .06100 Uiso ? ? 1.00000 ? ?
H125 1.16781 .84804 .19129 .05600 Uiso ? ? 1.00000 ? ?
H126 1.09057 .78296 .26699 .03800 Uiso ? ? 1.00000 ? ?
H1011a .99336 .57448 .37189 .05800 Uiso ? ? 1.00000 ? ?
H1011b .93337 .59162 .31199 .05800 Uiso ? ? 1.00000 ? ?
H1011c .89604 .50185 .31069 .05800 Uiso ? ? 1.00000 ? ?
H1021a .99219 .58573 .48547 .05200 Uiso ? ? 1.00000 ? ?
H1021b .89649 .54075 .51784 .05200 Uiso ? ? 1.00000 ? ?
H1021c .95298 .63930 .56142 .05200 Uiso ? ? 1.00000 ? ?
H1031a .65662 .68106 .59110 .04700 Uiso ? ? 1.00000 ? ?
H1031b .75351 .64296 .60528 .04700 Uiso ? ? 1.00000 ? ?
H1031c .63460 .58422 .56259 .04700 Uiso ? ? 1.00000 ? ?
H1041a .49042 .57150 .41677 .04100 Uiso ? ? 1.00000 ? ?
H1041b .52534 .65139 .40141 .04100 Uiso ? ? 1.00000 ? ?
H1041c .52549 .66187 .48319 .04100 Uiso ? ? 1.00000 ? ?
H1051a .73965 .60637 .27174 .04700 Uiso ? ? 1.00000 ? ?
H1051b .65771 .52159 .26365 .04700 Uiso ? ? 1.00000 ? ?
H1051c .61633 .60419 .29487 .04700 Uiso ? ? 1.00000 ? ?
H2112 .16666 .58449 .82765 .04100 Uiso ? ? 1.00000 ? ?
H2113 -.00173 .60360 .78200 .05400 Uiso ? ? 1.00000 ? ?
H2114 -.10072 .69542 .86267 .05200 Uiso ? ? 1.00000 ? ?
H2115 -.03340 .77031 .99101 .04200 Uiso ? ? 1.00000 ? ?
H2116 .13354 .75103 1.03776 .03600 Uiso ? ? 1.00000 ? ?
H2122 .39588 .73864 1.13155 .02900 Uiso ? ? 1.00000 ? ?
H2123 .33814 .72636 1.24037 .04100 Uiso ? ? 1.00000 ? ?
H2124 .16666 .63025 1.23424 .04300 Uiso ? ? 1.00000 ? ?
H2125 .05199 .54206 1.11772 .04400 Uiso ? ? 1.00000 ? ?
H2126 .10816 .55613 1.00984 .03700 Uiso ? ? 1.00000 ? ?
H210a .30986 .54091 .86539 .02800 Uiso ? ? 1.00000 ? ?
H210b .25355 .51079 .92278 .02800 Uiso ? ? 1.00000 ? ?
H220a .42982 .54377 .99004 .03100 Uiso ? ? 1.00000 ? ?
H220b .44954 .49535 .90734 .03100 Uiso ? ? 1.00000 ? ?
H2212 .63777 .71386 .85519 .03500 Uiso ? ? 1.00000 ? ?
H2213 .72170 .67156 .74329 .04500 Uiso ? ? 1.00000 ? ?
H2214 .73783 .53135 .68107 .05300 Uiso ? ? 1.00000 ? ?
H2215 .68059 .43640 .73445 .05600 Uiso ? ? 1.00000 ? ?
H2216 .60073 .47927 .84875 .04300 Uiso ? ? 1.00000 ? ?
H2222 .55851 .68506 1.10723 .03400 Uiso ? ? 1.00000 ? ?
H2223 .69575 .70133 1.20026 .04100 Uiso ? ? 1.00000 ? ?
H2224 .87411 .67287 1.17103 .04300 Uiso ? ? 1.00000 ? ?
H2225 .91768 .63128 1.04742 .04200 Uiso ? ? 1.00000 ? ?
H2226 .77884 .61256 .95248 .03400 Uiso ? ? 1.00000 ? ?
H222 .47161 .59430 .67803 .03000 Uiso ? ? 1.00000 ? ?
H223 .41027 .55991 .55351 .03600 Uiso ? ? 1.00000 ? ?
H224 .24917 .59939 .52483 .04000 Uiso ? ? 1.00000 ? ?
H225 .14968 .67414 .62035 .04500 Uiso ? ? 1.00000 ? ?
H226 .20710 .70701 .74457 .03600 Uiso ? ? 1.00000 ? ?
H2011a .36779 .86316 .89464 .04700 Uiso ? ? 1.00000 ? ?
H2011b .29023 .87639 .95863 .04700 Uiso ? ? 1.00000 ? ?
H2011c .38037 .95354 .95834 .04700 Uiso ? ? 1.00000 ? ?
H2021a .38110 .94931 1.15561 .05000 Uiso ? ? 1.00000 ? ?
H2021b .29209 .90573 1.08432 .05000 Uiso ? ? 1.00000 ? ?
H2021c .32144 .85234 1.12355 .05000 Uiso ? ? 1.00000 ? ?
H2031a .53513 .84472 1.17807 .05100 Uiso ? ? 1.00000 ? ?
H2031b .66308 .86446 1.16379 .05100 Uiso ? ? 1.00000 ? ?
H2031c .60235 .93755 1.19834 .05100 Uiso ? ? 1.00000 ? ?
H2041a .77623 .84291 .98535 .04800 Uiso ? ? 1.00000 ? ?
H2041b .79826 .91410 1.06665 .04800 Uiso ? ? 1.00000 ? ?
H2041c .75800 .81936 1.05244 .04800 Uiso ? ? 1.00000 ? ?
H2051a .60841 .93033 .90264 .04500 Uiso ? ? 1.00000 ? ?
H2051b .69182 .87565 .90289 .04500 Uiso ? ? 1.00000 ? ?
H2051c .56957 .83214 .85851 .04500 Uiso ? ? 1.00000 ? ?
H01 .95049 .12270 .08262 .05300 Uiso ? ? 1.00000 ? ?
H02 1.07151 .06310 .12696 .06200 Uiso ? ? 1.00000 ? ?
H03 1.12028 -.05922 .04380 .06600 Uiso ? ? 1.00000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 182 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 182 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
P ? 0 8 .09 .095 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Os ? 0 4 -1.816 7.605 'Int Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P11 Os1 P12 . . . 83.35(3) ?
P11 Os1 C11 . . . 81.17(7) ?
P11 Os1 C101 . . . 113.54(8) ?
P11 Os1 C102 . . . 101.28(7) ?
P11 Os1 C103 . . . 121.32(8) ?
P11 Os1 C104 . . . 157.93(9) ?
P11 Os1 C105 . . . 149.05(8) ?
P12 Os1 C11 . . . 86.30(9) ?
P12 Os1 C101 . . . 163.07(8) ?
P12 Os1 C102 . . . 141.94(8) ?
P12 Os1 C103 . . . 109.14(8) ?
P12 Os1 C104 . . . 102.12(8) ?
P12 Os1 C105 . . . 126.45(9) ?
C11 Os1 C101 . . . 97.17(12) ?
C11 Os1 C102 . . . 131.74(11) ?
C11 Os1 C103 . . . 153.20(9) ?
C11 Os1 C104 . . . 120.24(11) ?
C11 Os1 C105 . . . 91.64(11) ?
C101 Os1 C102 . . . 37.22(12) ?
C101 Os1 C103 . . . 61.89(11) ?
C101 Os1 C104 . . . 61.82(10) ?
C101 Os1 C105 . . . 37.21(11) ?
C102 Os1 C103 . . . 36.73(11) ?
C102 Os1 C104 . . . 61.30(11) ?
C102 Os1 C105 . . . 61.74(12) ?
C103 Os1 C104 . . . 36.64(11) ?
C103 Os1 C105 . . . 61.56(11) ?
C104 Os1 C105 . . . 36.87(10) ?
P21 Os2 P22 . . . 83.35(3) ?
P21 Os2 C21 . . . 81.62(8) ?
P21 Os2 C201 . . . 116.66(8) ?
P21 Os2 C202 . . . 103.12(8) ?
P21 Os2 C203 . . . 120.77(8) ?
P21 Os2 C204 . . . 157.05(8) ?
P21 Os2 C205 . . . 153.00(9) ?
P22 Os2 C21 . . . 87.16(9) ?
P22 Os2 C201 . . . 159.43(8) ?
P22 Os2 C202 . . . 147.93(9) ?
P22 Os2 C203 . . . 112.98(9) ?
P22 Os2 C204 . . . 101.13(9) ?
P22 Os2 C205 . . . 121.73(9) ?
C21 Os2 C201 . . . 90.99(12) ?
C21 Os2 C202 . . . 124.71(13) ?
C21 Os2 C203 . . . 150.30(13) ?
C21 Os2 C204 . . . 120.86(12) ?
C21 Os2 C205 . . . 89.27(11) ?
C201 Os2 C202 . . . 37.12(12) ?
C201 Os2 C203 . . . 62.34(12) ?
C201 Os2 C204 . . . 62.56(11) ?
C201 Os2 C205 . . . 37.72(11) ?
C202 Os2 C203 . . . 36.93(12) ?
C202 Os2 C204 . . . 61.54(10) ?
C202 Os2 C205 . . . 61.81(11) ?
C203 Os2 C204 . . . 36.76(11) ?
C203 Os2 C205 . . . 61.82(11) ?
C204 Os2 C205 . . . 37.13(13) ?
Os1 P11 C1111 . . . 117.66(8) ?
Os1 P11 C1121 . . . 121.56(10) ?
Os1 P11 C110 . . . 108.32(9) ?
C1111 P11 C1121 . . . 100.37(14) ?
C1111 P11 C110 . . . 105.18(14) ?
C1121 P11 C110 . . . 101.63(13) ?
P11 C1111 C1112 . . . 122.7(3) ?
P11 C1111 C1116 . . . 120.8(3) ?
C1112 C1111 C1116 . . . 116.4(3) ?
C1111 C1112 C1113 . . . 121.5(3) ?
C1111 C1112 H1112 . . . 118.7 ?
C1113 C1112 H1112 . . . 119.9 ?
C1112 C1113 C1114 . . . 120.5(3) ?
C1112 C1113 H1113 . . . 120.1 ?
C1114 C1113 H1113 . . . 119.4 ?
C1113 C1114 C1115 . . . 119.6(3) ?
C1113 C1114 H1114 . . . 120.9 ?
C1115 C1114 H1114 . . . 119.5 ?
C1114 C1115 C1116 . . . 119.8(4) ?
C1114 C1115 H1115 . . . 120.3 ?
C1116 C1115 H1115 . . . 119.9 ?
C1111 C1116 C1115 . . . 122.2(4) ?
C1111 C1116 H1116 . . . 118.3 ?
C1115 C1116 H1116 . . . 119.5 ?
P11 C1121 C1122 . . . 120.0(2) ?
P11 C1121 C1126 . . . 121.4(3) ?
C1122 C1121 C1126 . . . 118.6(3) ?
C1121 C1122 C1123 . . . 120.7(3) ?
C1121 C1122 H1122 . . . 119.2 ?
C1123 C1122 H1122 . . . 120.0 ?
C1122 C1123 C1124 . . . 119.9(3) ?
C1122 C1123 H1123 . . . 120.1 ?
C1124 C1123 H1123 . . . 120.0 ?
C1123 C1124 C1125 . . . 120.2(3) ?
C1123 C1124 H1124 . . . 120.5 ?
C1125 C1124 H1124 . . . 119.2 ?
C1124 C1125 C1126 . . . 120.3(3) ?
C1124 C1125 H1125 . . . 120.3 ?
C1126 C1125 H1125 . . . 119.3 ?
C1121 C1126 C1125 . . . 120.1(3) ?
C1121 C1126 H1126 . . . 120.0 ?
C1125 C1126 H1126 . . . 119.9 ?
P11 C110 C120 . . . 107.6(2) ?
P11 C110 H110a . . . 109.7 ?
P11 C110 H110b . . . 109.5 ?
C120 C110 H110a . . . 111.2 ?
C120 C110 H110b . . . 110.4 ?
H110a C110 H110b . . . 108.4 ?
C110 C120 P12 . . . 110.14(16) ?
C110 C120 H120a . . . 109.5 ?
C110 C120 H120b . . . 108.9 ?
P12 C120 H120a . . . 109.9 ?
P12 C120 H120b . . . 109.6 ?
H120a C120 H120b . . . 108.7 ?
Os1 P12 C120 . . . 111.02(10) ?
Os1 P12 C1211 . . . 118.34(8) ?
Os1 P12 C1221 . . . 118.29(11) ?
C120 P12 C1211 . . . 103.51(14) ?
C120 P12 C1221 . . . 102.67(12) ?
C1211 P12 C1221 . . . 100.89(14) ?
P12 C1211 C1212 . . . 120.5(2) ?
P12 C1211 C1216 . . . 121.3(2) ?
C1212 C1211 C1216 . . . 118.2(3) ?
C1211 C1212 C1213 . . . 120.7(3) ?
C1211 C1212 H1212 . . . 118.8 ?
C1213 C1212 H1212 . . . 120.5 ?
C1212 C1213 C1214 . . . 120.4(3) ?
C1212 C1213 H1213 . . . 119.5 ?
C1214 C1213 H1213 . . . 120.0 ?
C1213 C1214 C1215 . . . 119.9(4) ?
C1213 C1214 H1214 . . . 119.9 ?
C1215 C1214 H1214 . . . 120.2 ?
C1214 C1215 C1216 . . . 120.0(3) ?
C1214 C1215 H1215 . . . 120.3 ?
C1216 C1215 H1215 . . . 119.7 ?
C1211 C1216 C1215 . . . 120.8(3) ?
C1211 C1216 H1216 . . . 119.5 ?
C1215 C1216 H1216 . . . 119.7 ?
P12 C1221 C1222 . . . 120.2(2) ?
P12 C1221 C1226 . . . 121.5(2) ?
C1222 C1221 C1226 . . . 118.1(3) ?
C1221 C1222 C1223 . . . 120.6(3) ?
C1221 C1222 H1222 . . . 119.7 ?
C1223 C1222 H1222 . . . 119.8 ?
C1222 C1223 C1224 . . . 120.7(3) ?
C1222 C1223 H1223 . . . 119.0 ?
C1224 C1223 H1223 . . . 120.3 ?
C1223 C1224 C1225 . . . 119.2(3) ?
C1223 C1224 H1224 . . . 120.0 ?
C1225 C1224 H1224 . . . 120.8 ?
C1224 C1225 C1226 . . . 120.8(3) ?
C1224 C1225 H1225 . . . 119.5 ?
C1226 C1225 H1225 . . . 119.7 ?
C1221 C1226 C1225 . . . 120.7(3) ?
C1221 C1226 H1226 . . . 119.4 ?
C1225 C1226 H1226 . . . 120.0 ?
Os1 C11 C12 . . . 177.9(2) ?
C11 C12 C121 . . . 174.1(3) ?
C12 C121 C122 . . . 121.6(3) ?
C12 C121 C126 . . . 120.6(3) ?
C122 C121 C126 . . . 117.8(3) ?
C121 C122 C123 . . . 120.7(3) ?
C121 C122 H122 . . . 119.7 ?
C123 C122 H122 . . . 119.6 ?
C122 C123 C124 . . . 120.4(4) ?
C122 C123 H123 . . . 119.5 ?
C124 C123 H123 . . . 120.1 ?
C123 C124 C125 . . . 119.7(4) ?
C123 C124 H124 . . . 120.3 ?
C125 C124 H124 . . . 120.0 ?
C124 C125 C126 . . . 120.4(4) ?
C124 C125 H125 . . . 119.6 ?
C126 C125 H125 . . . 120.0 ?
C121 C126 C125 . . . 121.0(4) ?
C121 C126 H126 . . . 119.1 ?
C125 C126 H126 . . . 119.9 ?
Os1 C101 C1011 . . . 126.6(2) ?
Os1 C101 C102 . . . 71.96(16) ?
Os1 C101 C105 . . . 72.01(16) ?
C1011 C101 C102 . . . 126.5(3) ?
C1011 C101 C105 . . . 125.6(3) ?
C102 C101 C105 . . . 107.6(3) ?
C101 C1011 H1011a . . . 108.3 ?
C101 C1011 H1011b . . . 108.0 ?
C101 C1011 H1011c . . . 110.6 ?
H1011a C1011 H1011b . . . 108.6 ?
H1011a C1011 H1011c . . . 112.0 ?
H1011b C1011 H1011c . . . 109.3 ?
Os1 C102 C101 . . . 70.8(2) ?
Os1 C102 C1021 . . . 129.74(18) ?
Os1 C102 C103 . . . 72.3(2) ?
C101 C102 C1021 . . . 125.5(3) ?
C101 C102 C103 . . . 108.4(3) ?
C1021 C102 C103 . . . 125.5(3) ?
C102 C1021 H1021a . . . 107.8 ?
C102 C1021 H1021b . . . 108.0 ?
C102 C1021 H1021c . . . 110.4 ?
H1021a C1021 H1021b . . . 109.0 ?
H1021a C1021 H1021c . . . 109.6 ?
H1021b C1021 H1021c . . . 112.0 ?
Os1 C103 C102 . . . 70.94(19) ?
Os1 C103 C1031 . . . 131.71(18) ?
Os1 C103 C104 . . . 71.86(18) ?
C102 C103 C1031 . . . 126.6(3) ?
C102 C103 C104 . . . 108.0(3) ?
C1031 C103 C104 . . . 124.4(3) ?
C103 C1031 H1031a . . . 110.5 ?
C103 C1031 H1031b . . . 111.2 ?
C103 C1031 H1031c . . . 110.1 ?
H1031a C1031 H1031b . . . 108.4 ?
H1031a C1031 H1031c . . . 107.0 ?
H1031b C1031 H1031c . . . 109.5 ?
Os1 C104 C103 . . . 71.50(15) ?
Os1 C104 C1041 . . . 129.7(2) ?
Os1 C104 C105 . . . 70.74(14) ?
C103 C104 C1041 . . . 126.7(3) ?
C103 C104 C105 . . . 108.0(3) ?
C1041 C104 C105 . . . 124.7(3) ?
C104 C1041 H1041a . . . 110.2 ?
C104 C1041 H1041b . . . 110.5 ?
C104 C1041 H1041c . . . 110.3 ?
H1041a C1041 H1041b . . . 108.5 ?
H1041a C1041 H1041c . . . 109.1 ?
H1041b C1041 H1041c . . . 108.1 ?
Os1 C105 C101 . . . 70.78(13) ?
Os1 C105 C104 . . . 72.39(13) ?
Os1 C105 C1051 . . . 126.9(2) ?
C101 C105 C104 . . . 108.0(3) ?
C101 C105 C1051 . . . 125.1(3) ?
C104 C105 C1051 . . . 126.6(3) ?
C105 C1051 H1051a . . . 110.6 ?
C105 C1051 H1051b . . . 110.2 ?
C105 C1051 H1051c . . . 109.4 ?
H1051a C1051 H1051b . . . 109.4 ?
H1051a C1051 H1051c . . . 108.9 ?
H1051b C1051 H1051c . . . 108.1 ?
Os2 P21 C2111 . . . 117.61(12) ?
Os2 P21 C2121 . . . 122.75(8) ?
Os2 P21 C210 . . . 107.93(10) ?
C2111 P21 C2121 . . . 99.50(15) ?
C2111 P21 C210 . . . 105.56(13) ?
C2121 P21 C210 . . . 101.29(15) ?
P21 C2111 C2112 . . . 122.1(2) ?
P21 C2111 C2116 . . . 119.5(2) ?
C2112 C2111 C2116 . . . 118.3(3) ?
C2111 C2112 C2113 . . . 119.7(3) ?
C2111 C2112 H2112 . . . 119.8 ?
C2113 C2112 H2112 . . . 120.5 ?
C2112 C2113 C2114 . . . 120.8(3) ?
C2112 C2113 H2113 . . . 119.0 ?
C2114 C2113 H2113 . . . 120.2 ?
C2113 C2114 C2115 . . . 120.0(4) ?
C2113 C2114 H2114 . . . 119.2 ?
C2115 C2114 H2114 . . . 120.7 ?
C2114 C2115 C2116 . . . 120.0(3) ?
C2114 C2115 H2115 . . . 120.0 ?
C2116 C2115 H2115 . . . 120.0 ?
C2111 C2116 C2115 . . . 121.2(3) ?
C2111 C2116 H2116 . . . 118.8 ?
C2115 C2116 H2116 . . . 120.0 ?
P21 C2121 C2122 . . . 120.6(2) ?
P21 C2121 C2126 . . . 121.5(2) ?
C2122 C2121 C2126 . . . 117.8(3) ?
C2121 C2122 C2123 . . . 121.1(3) ?
C2121 C2122 H2122 . . . 118.9 ?
C2123 C2122 H2122 . . . 119.9 ?
C2122 C2123 C2124 . . . 120.4(3) ?
C2122 C2123 H2123 . . . 119.8 ?
C2124 C2123 H2123 . . . 119.7 ?
C2123 C2124 C2125 . . . 119.3(3) ?
C2123 C2124 H2124 . . . 120.0 ?
C2125 C2124 H2124 . . . 120.7 ?
C2124 C2125 C2126 . . . 120.2(3) ?
C2124 C2125 H2125 . . . 119.9 ?
C2126 C2125 H2125 . . . 119.8 ?
C2121 C2126 C2125 . . . 121.0(3) ?
C2121 C2126 H2126 . . . 119.0 ?
C2125 C2126 H2126 . . . 120.0 ?
P21 C210 C220 . . . 107.25(16) ?
P21 C210 H210a . . . 110.8 ?
P21 C210 H210b . . . 110.2 ?
C220 C210 H210a . . . 110.5 ?
C220 C210 H210b . . . 110.5 ?
H210a C210 H210b . . . 107.8 ?
C210 C220 P22 . . . 109.4(2) ?
C210 C220 H220a . . . 109.8 ?
C210 C220 H220b . . . 110.5 ?
P22 C220 H220a . . . 109.45 ?
P22 C220 H220b . . . 109.7 ?
H220a C220 H220b . . . 108.0 ?
Os2 P22 C220 . . . 110.43(11) ?
Os2 P22 C2211 . . . 117.15(13) ?
Os2 P22 C2221 . . . 118.84(9) ?
C220 P22 C2211 . . . 103.84(13) ?
C220 P22 C2221 . . . 102.16(16) ?
C2211 P22 C2221 . . . 102.42(14) ?
P22 C2211 C2212 . . . 118.7(2) ?
P22 C2211 C2216 . . . 123.2(3) ?
C2212 C2211 C2216 . . . 118.1(3) ?
C2211 C2212 C2213 . . . 121.8(3) ?
C2211 C2212 H2212 . . . 118.8 ?
C2213 C2212 H2212 . . . 119.3 ?
C2212 C2213 C2214 . . . 119.5(4) ?
C2212 C2213 H2213 . . . 120.1 ?
C2214 C2213 H2213 . . . 120.4 ?
C2213 C2214 C2215 . . . 120.0(3) ?
C2213 C2214 H2214 . . . 120.5 ?
C2215 C2214 H2214 . . . 119.5 ?
C2214 C2215 C2216 . . . 120.5(3) ?
C2214 C2215 H2215 . . . 119.8 ?
C2216 C2215 H2215 . . . 119.7 ?
C2211 C2216 C2215 . . . 120.0(4) ?
C2211 C2216 H2216 . . . 119.7 ?
C2215 C2216 H2216 . . . 120.3 ?
P22 C2221 C2222 . . . 117.4(2) ?
P22 C2221 C2226 . . . 124.0(2) ?
C2222 C2221 C2226 . . . 118.6(3) ?
C2221 C2222 C2223 . . . 120.4(3) ?
C2221 C2222 H2222 . . . 119.7 ?
C2223 C2222 H2222 . . . 119.8 ?
C2222 C2223 C2224 . . . 120.6(3) ?
C2222 C2223 H2223 . . . 119.7 ?
C2224 C2223 H2223 . . . 119.7 ?
C2223 C2224 C2225 . . . 119.3(3) ?
C2223 C2224 H2224 . . . 119.4 ?
C2225 C2224 H2224 . . . 121.3 ?
C2224 C2225 C2226 . . . 120.9(3) ?
C2224 C2225 H2225 . . . 119.5 ?
C2226 C2225 H2225 . . . 119.6 ?
C2221 C2226 C2225 . . . 120.1(3) ?
C2221 C2226 H2226 . . . 119.3 ?
C2225 C2226 H2226 . . . 120.6 ?
Os2 C21 C22 . . . 174.4(3) ?
C21 C22 C221 . . . 176.6(3) ?
C22 C221 C222 . . . 122.0(3) ?
C22 C221 C226 . . . 120.2(3) ?
C222 C221 C226 . . . 117.8(3) ?
C221 C222 C223 . . . 120.7(3) ?
C221 C222 H222 . . . 120.0 ?
C223 C222 H222 . . . 119.3 ?
C222 C223 C224 . . . 120.3(3) ?
C222 C223 H223 . . . 119.9 ?
C224 C223 H223 . . . 119.8 ?
C223 C224 C225 . . . 119.8(3) ?
C223 C224 H224 . . . 120.4 ?
C225 C224 H224 . . . 119.8 ?
C224 C225 C226 . . . 120.3(4) ?
C224 C225 H225 . . . 119.8 ?
C226 C225 H225 . . . 119.9 ?
C221 C226 C225 . . . 121.1(3) ?
C221 C226 H226 . . . 119.7 ?
C225 C226 H226 . . . 119.2 ?
Os2 C201 C2011 . . . 124.48(17) ?
Os2 C201 C202 . . . 72.60(19) ?
Os2 C201 C205 . . . 71.47(18) ?
C2011 C201 C202 . . . 128.0(3) ?
C2011 C201 C205 . . . 124.9(3) ?
C202 C201 C205 . . . 107.0(3) ?
C201 C2011 H2011a . . . 109.5 ?
C201 C2011 H2011b . . . 109.7 ?
C201 C2011 H2011c . . . 109.6 ?
H2011a C2011 H2011b . . . 109.2 ?
H2011a C2011 H2011c . . . 109.2 ?
H2011b C2011 H2011c . . . 109.7 ?
Os2 C202 C201 . . . 70.28(16) ?
Os2 C202 C2021 . . . 129.1(2) ?
Os2 C202 C203 . . . 72.71(15) ?
C201 C202 C2021 . . . 125.9(3) ?
C201 C202 C203 . . . 109.2(3) ?
C2021 C202 C203 . . . 124.5(3) ?
C202 C2021 H2021a . . . 109.9 ?
C202 C2021 H2021b . . . 109.3 ?
C202 C2021 H2021c . . . 110.6 ?
H2021a C2021 H2021b . . . 108.8 ?
H2021a C2021 H2021c . . . 109.7 ?
H2021b C2021 H2021c . . . 108.5 ?
Os2 C203 C202 . . . 70.36(13) ?
Os2 C203 C2031 . . . 133.8(2) ?
Os2 C203 C204 . . . 70.98(13) ?
C202 C203 C2031 . . . 126.0(3) ?
C202 C203 C204 . . . 107.2(3) ?
C2031 C203 C204 . . . 125.5(3) ?
C203 C2031 H2031a . . . 110.4 ?
C203 C2031 H2031b . . . 110.1 ?
C203 C2031 H2031c . . . 109.8 ?
H2031a C2031 H2031b . . . 109.0 ?
H2031a C2031 H2031c . . . 108.6 ?
H2031b C2031 H2031c . . . 108.9 ?
Os2 C204 C203 . . . 72.26(14) ?
Os2 C204 C2041 . . . 128.1(2) ?
Os2 C204 C205 . . . 70.08(15) ?
C203 C204 C2041 . . . 124.7(3) ?
C203 C204 C205 . . . 108.0(3) ?
C2041 C204 C205 . . . 127.0(3) ?
C204 C2041 H2041a . . . 109.7 ?
C204 C2041 H2041b . . . 110.2 ?
C204 C2041 H2041c . . . 109.8 ?
H2041a C2041 H2041b . . . 109.6 ?
H2041a C2041 H2041c . . . 108.8 ?
H2041b C2041 H2041c . . . 108.7 ?
Os2 C205 C201 . . . 70.81(17) ?
Os2 C205 C204 . . . 72.79(18) ?
Os2 C205 C2051 . . . 127.14(17) ?
C201 C205 C204 . . . 108.5(3) ?
C201 C205 C2051 . . . 124.7(3) ?
C204 C205 C2051 . . . 126.5(3) ?
C205 C2051 H2051a . . . 110.6 ?
C205 C2051 H2051b . . . 110.2 ?
C205 C2051 H2051c . . . 109.5 ?
H2051a C2051 H2051b . . . 109.5 ?
H2051a C2051 H2051c . . . 108.9 ?
H2051b C2051 H2051c . . . 108.1 ?
C02 C01 H01 . . . 120.2 ?
C02 C01 C03 . . '2 755' 119.6(3) ?
H01 C01 C03 . . '2 755' 120.1 ?
C01 C02 C03 . . . 119.5(3) ?
C01 C02 H02 . . . 119.8 ?
C03 C02 H02 . . . 120.7 ?
C02 C03 H03 . . . 119.7 ?
C02 C03 C01 . . '2 755' 120.8(4) ?
H03 C03 C01 . . '2 755' 119.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Os1 P11 . . 2.2625(7) ?
Os1 P12 . . 2.2721(8) ?
Os1 C11 . . 2.026(3) ?
Os1 C101 . . 2.236(3) ?
Os1 C102 . . 2.251(4) ?
Os1 C103 . . 2.269(3) ?
Os1 C104 . . 2.274(2) ?
Os1 C105 . . 2.252(2) ?
Os2 P21 . . 2.2682(8) ?
Os2 P22 . . 2.2752(9) ?
Os2 C21 . . 2.012(3) ?
Os2 C201 . . 2.230(3) ?
Os2 C202 . . 2.260(3) ?
Os2 C203 . . 2.291(2) ?
Os2 C204 . . 2.274(2) ?
Os2 C205 . . 2.238(3) ?
P11 C1111 . . 1.821(3) ?
P11 C1121 . . 1.847(3) ?
P11 C110 . . 1.848(3) ?
C1111 C1112 . . 1.399(5) ?
C1111 C1116 . . 1.399(5) ?
C1112 C1113 . . 1.388(4) ?
C1112 H1112 . . .961 ?
C1113 C1114 . . 1.376(5) ?
C1113 H1113 . . .961 ?
C1114 C1115 . . 1.377(6) ?
C1114 H1114 . . .960 ?
C1115 C1116 . . 1.387(4) ?
C1115 H1115 . . .965 ?
C1116 H1116 . . .968 ?
C1121 C1122 . . 1.381(5) ?
C1121 C1126 . . 1.399(4) ?
C1122 C1123 . . 1.399(5) ?
C1122 H1122 . . .960 ?
C1123 C1124 . . 1.371(4) ?
C1123 H1123 . . .964 ?
C1124 C1125 . . 1.373(5) ?
C1124 H1124 . . .965 ?
C1125 C1126 . . 1.392(5) ?
C1125 H1125 . . .963 ?
C1126 H1126 . . .960 ?
C110 C120 . . 1.528(4) ?
C110 H110a . . .955 ?
C110 H110b . . .958 ?
C120 P12 . . 1.860(2) ?
C120 H120a . . .952 ?
C120 H120b . . .958 ?
P12 C1211 . . 1.844(4) ?
P12 C1221 . . 1.841(3) ?
C1211 C1212 . . 1.399(4) ?
C1211 C1216 . . 1.394(4) ?
C1212 C1213 . . 1.390(5) ?
C1212 H1212 . . .958 ?
C1213 C1214 . . 1.370(5) ?
C1213 H1213 . . .964 ?
C1214 C1215 . . 1.388(4) ?
C1214 H1214 . . .963 ?
C1215 C1216 . . 1.392(6) ?
C1215 H1215 . . .966 ?
C1216 H1216 . . .961 ?
C1221 C1222 . . 1.395(5) ?
C1221 C1226 . . 1.395(4) ?
C1222 C1223 . . 1.396(5) ?
C1222 H1222 . . .960 ?
C1223 C1224 . . 1.370(5) ?
C1223 H1223 . . .960 ?
C1224 C1225 . . 1.385(5) ?
C1224 H1224 . . .959 ?
C1225 C1226 . . 1.384(5) ?
C1225 H1225 . . .970 ?
C1226 H1226 . . .959 ?
C11 C12 . . 1.202(5) ?
C12 C121 . . 1.443(5) ?
C121 C122 . . 1.406(5) ?
C121 C126 . . 1.396(4) ?
C122 C123 . . 1.386(6) ?
C122 H122 . . .960 ?
C123 C124 . . 1.370(6) ?
C123 H123 . . .969 ?
C124 C125 . . 1.389(7) ?
C124 H124 . . .964 ?
C125 C126 . . 1.374(6) ?
C125 H125 . . .971 ?
C126 H126 . . .962 ?
C101 C1011 . . 1.513(5) ?
C101 C102 . . 1.432(5) ?
C101 C105 . . 1.432(5) ?
C1011 H1011a . . .951 ?
C1011 H1011b . . .959 ?
C1011 H1011c . . .948 ?
C102 C1021 . . 1.505(5) ?
C102 C103 . . 1.424(4) ?
C1021 H1021a . . .954 ?
C1021 H1021b . . .951 ?
C1021 H1021c . . .949 ?
C103 C1031 . . 1.501(5) ?
C103 C104 . . 1.428(5) ?
C1031 H1031a . . .964 ?
C1031 H1031b . . .949 ?
C1031 H1031c . . .947 ?
C104 C1041 . . 1.489(4) ?
C104 C105 . . 1.431(4) ?
C1041 H1041a . . .952 ?
C1041 H1041b . . .960 ?
C1041 H1041c . . .958 ?
C105 C1051 . . 1.508(5) ?
C1051 H1051a . . .948 ?
C1051 H1051b . . .952 ?
C1051 H1051c . . .957 ?
P21 C2111 . . 1.831(3) ?
P21 C2121 . . 1.838(3) ?
P21 C210 . . 1.833(3) ?
C2111 C2112 . . 1.400(4) ?
C2111 C2116 . . 1.388(4) ?
C2112 C2113 . . 1.396(6) ?
C2112 H2112 . . .965 ?
C2113 C2114 . . 1.366(5) ?
C2113 H2113 . . .967 ?
C2114 C2115 . . 1.375(5) ?
C2114 H2114 . . .963 ?
C2115 C2116 . . 1.382(5) ?
C2115 H2115 . . .967 ?
C2116 H2116 . . .968 ?
C2121 C2122 . . 1.389(4) ?
C2121 C2126 . . 1.394(4) ?
C2122 C2123 . . 1.391(5) ?
C2122 H2122 . . .969 ?
C2123 C2124 . . 1.368(5) ?
C2123 H2123 . . .966 ?
C2124 C2125 . . 1.394(4) ?
C2124 H2124 . . .958 ?
C2125 C2126 . . 1.381(5) ?
C2125 H2125 . . .969 ?
C2126 H2126 . . .964 ?
C210 C220 . . 1.523(5) ?
C210 H210a . . .955 ?
C210 H210b . . .965 ?
C220 P22 . . 1.846(3) ?
C220 H220a . . .961 ?
C220 H220b . . .956 ?
P22 C2211 . . 1.852(3) ?
P22 C2221 . . 1.842(3) ?
C2211 C2212 . . 1.383(5) ?
C2211 C2216 . . 1.400(5) ?
C2212 C2213 . . 1.393(5) ?
C2212 H2212 . . .964 ?
C2213 C2214 . . 1.369(5) ?
C2213 H2213 . . .958 ?
C2214 C2215 . . 1.385(6) ?
C2214 H2214 . . .962 ?
C2215 C2216 . . 1.393(5) ?
C2215 H2215 . . .964 ?
C2216 H2216 . . .971 ?
C2221 C2222 . . 1.402(4) ?
C2221 C2226 . . 1.382(4) ?
C2222 C2223 . . 1.379(5) ?
C2222 H2222 . . .963 ?
C2223 C2224 . . 1.382(5) ?
C2223 H2223 . . .964 ?
C2224 C2225 . . 1.369(5) ?
C2224 H2224 . . .967 ?
C2225 C2226 . . 1.395(5) ?
C2225 H2225 . . .967 ?
C2226 H2226 . . .959 ?
C21 C22 . . 1.208(4) ?
C22 C221 . . 1.437(4) ?
C221 C222 . . 1.394(4) ?
C221 C226 . . 1.398(5) ?
C222 C223 . . 1.389(5) ?
C222 H222 . . .966 ?
C223 C224 . . 1.376(5) ?
C223 H223 . . .967 ?
C224 C225 . . 1.377(5) ?
C224 H224 . . .962 ?
C225 C226 . . 1.379(5) ?
C225 H225 . . .967 ?
C226 H226 . . .967 ?
C201 C2011 . . 1.502(5) ?
C201 C202 . . 1.429(5) ?
C201 C205 . . 1.444(4) ?
C2011 H2011a . . .956 ?
C2011 H2011b . . .948 ?
C2011 H2011c . . .947 ?
C202 C2021 . . 1.502(5) ?
C202 C203 . . 1.442(5) ?
C2021 H2021a . . .951 ?
C2021 H2021b . . .958 ?
C2021 H2021c . . .955 ?
C203 C2031 . . 1.501(5) ?
C203 C204 . . 1.440(4) ?
C2031 H2031a . . .953 ?
C2031 H2031b . . .953 ?
C2031 H2031c . . .953 ?
C204 C2041 . . 1.494(5) ?
C204 C205 . . 1.437(5) ?
C2041 H2041a . . .953 ?
C2041 H2041b . . .946 ?
C2041 H2041c . . .964 ?
C205 C2051 . . 1.497(5) ?
C2051 H2051a . . .943 ?
C2051 H2051b . . .956 ?
C2051 H2051c . . .961 ?
C01 C02 . . 1.376(6) ?
C01 H01 . . .963 ?
C01 C03 . '2 755' 1.372(5) ?
C02 C03 . . 1.365(5) ?
C02 H02 . . .963 ?
C03 H03 . . .958 ?
