#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/59/7205927.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_7205927
loop_
_publ_author_name
'Yang, Tianshe'
'Xia, Ao'
'Liu, Qian'
'Shi, Mei'
'Wu, Huazhou'
'Xiong, Liqin'
'Huang, Chunhui'
'Li, Fuyou'
_publ_section_title
;
 Polymer nanoparticles with an embedded phosphorescent osmium(ii)
 complex for cell imaging
;
_journal_issue                   14
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              5360
_journal_paper_doi               10.1039/c0jm04235h
_journal_volume                  21
_journal_year                    2011
_chemical_formula_sum            'C46 H39 F12 N4 O0.5 Os P4'
_chemical_formula_weight         1197.89
_chemical_name_systematic
;
?
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.373(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.887(15)
_cell_length_b                   11.094(7)
_cell_length_c                   20.234(13)
_cell_measurement_reflns_used    948
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.882
_cell_measurement_theta_min      2.521
_cell_volume                     4737(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18989
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    2.913
_exptl_absorpt_correction_T_max  0.8680
_exptl_absorpt_correction_T_min  0.7593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             2364
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.125
_refine_diff_density_min         -1.476
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         8319
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0580P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1007
_reflns_number_gt                6428
_reflns_number_total             8319
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0jm04235h.txt
_cod_data_source_block           f80919b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4738(5)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C46 H39 F12 N4 O0.50 Os P4'
_cod_database_code               7205927
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_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 0.763653(9) 0.886635(18) 0.516595(9) 0.04012(9) Uani 1 1 d . . .
P1 P 0.72368(7) 1.04724(15) 0.44744(7) 0.0561(4) Uani 1 1 d . . .
P2 P 0.77268(7) 0.80266(15) 0.41653(7) 0.0533(4) Uani 1 1 d . . .
N1 N 0.79923(19) 0.7440(4) 0.5871(2) 0.0434(10) Uani 1 1 d . . .
N2 N 0.68339(19) 0.7808(4) 0.5108(2) 0.0496(11) Uani 1 1 d . . .
N3 N 0.75952(19) 0.9694(4) 0.60925(19) 0.0425(10) Uani 1 1 d . . .
N4 N 0.84797(19) 0.9830(4) 0.5437(2) 0.0451(10) Uani 1 1 d . . .
C1 C 0.8580(2) 0.7346(5) 0.6274(3) 0.0511(13) Uani 1 1 d . . .
H1A H 0.8894 0.7839 0.6188 0.061 Uiso 1 1 calc R . .
C2 C 0.8739(3) 0.6552(6) 0.6811(3) 0.0637(16) Uani 1 1 d . . .
H2A H 0.9154 0.6513 0.7083 0.076 Uiso 1 1 calc R . .
C3 C 0.8289(3) 0.5826(6) 0.6941(3) 0.0697(18) Uani 1 1 d . . .
H3A H 0.8393 0.5270 0.7297 0.084 Uiso 1 1 calc R . .
C4 C 0.7682(3) 0.5921(5) 0.6544(3) 0.0631(16) Uani 1 1 d . . .
H4A H 0.7366 0.5448 0.6641 0.076 Uiso 1 1 calc R . .
C5 C 0.7534(2) 0.6711(5) 0.6002(3) 0.0475(12) Uani 1 1 d . . .
C6 C 0.6904(3) 0.6857(6) 0.5530(3) 0.0566(14) Uani 1 1 d . . .
C7 C 0.6422(4) 0.6042(7) 0.5502(4) 0.089(2) Uani 1 1 d . . .
H7A H 0.6487 0.5370 0.5788 0.107 Uiso 1 1 calc R . .
C8 C 0.5842(4) 0.6242(9) 0.5043(5) 0.107(3) Uani 1 1 d . . .
H8A H 0.5507 0.5721 0.5030 0.128 Uiso 1 1 calc R . .
C9 C 0.5763(3) 0.7177(9) 0.4621(4) 0.090(2) Uani 1 1 d . . .
H9A H 0.5374 0.7307 0.4305 0.108 Uiso 1 1 calc R . .
C10 C 0.6257(2) 0.7948(7) 0.4655(3) 0.0652(17) Uani 1 1 d . . .
H10A H 0.6196 0.8598 0.4355 0.078 Uiso 1 1 calc R . .
C11 C 0.7125(3) 0.9591(5) 0.6393(3) 0.0568(14) Uani 1 1 d . . .
H11A H 0.6758 0.9187 0.6163 0.068 Uiso 1 1 calc R . .
C12 C 0.7161(3) 1.0057(6) 0.7027(3) 0.0716(18) Uani 1 1 d . . .
H12A H 0.6824 0.9972 0.7222 0.086 Uiso 1 1 calc R . .
C13 C 0.7688(4) 1.0640(7) 0.7366(3) 0.080(2) Uani 1 1 d . . .
H13A H 0.7718 1.0970 0.7796 0.096 Uiso 1 1 calc R . .
C14 C 0.8180(4) 1.0742(6) 0.7073(3) 0.0717(18) Uani 1 1 d . . .
H14A H 0.8553 1.1124 0.7308 0.086 Uiso 1 1 calc R . .
C15 C 0.8124(3) 1.0279(5) 0.6427(3) 0.0520(13) Uani 1 1 d . . .
C16 C 0.8608(3) 1.0398(5) 0.6062(3) 0.0527(14) Uani 1 1 d . . .
C17 C 0.9160(3) 1.1074(5) 0.6295(4) 0.0696(18) Uani 1 1 d . . .
H17A H 0.9255 1.1416 0.6730 0.083 Uiso 1 1 calc R . .
C18 C 0.9559(4) 1.1238(6) 0.5892(5) 0.081(2) Uani 1 1 d . . .
H18A H 0.9928 1.1688 0.6048 0.097 Uiso 1 1 calc R . .
C19 C 0.9412(3) 1.0729(6) 0.5250(4) 0.0719(19) Uani 1 1 d . . .
H19A H 0.9670 1.0858 0.4957 0.086 Uiso 1 1 calc R . .
C20 C 0.8884(3) 1.0036(5) 0.5051(3) 0.0561(14) Uani 1 1 d . . .
H20A H 0.8796 0.9681 0.4619 0.067 Uiso 1 1 calc R . .
C21 C 0.7633(3) 1.1899(6) 0.4749(4) 0.0703(18) Uani 1 1 d . . .
C22 C 0.7576(4) 1.2452(7) 0.5353(4) 0.096(2) Uani 1 1 d . . .
H22A H 0.7297 1.2133 0.5583 0.115 Uiso 1 1 calc R . .
C23 C 0.7921(6) 1.3449(8) 0.5607(7) 0.137(4) Uani 1 1 d . . .
H23A H 0.7861 1.3817 0.5998 0.164 Uiso 1 1 calc R . .
C24 C 0.8338(6) 1.3903(9) 0.5312(8) 0.142(5) Uani 1 1 d . . .
H24A H 0.8584 1.4556 0.5515 0.170 Uiso 1 1 calc R . .
C25 C 0.8418(5) 1.3445(9) 0.4725(8) 0.135(5) Uani 1 1 d . . .
H25A H 0.8698 1.3804 0.4510 0.161 Uiso 1 1 calc R . .
C26 C 0.8069(4) 1.2414(7) 0.4439(5) 0.097(3) Uani 1 1 d . . .
H26A H 0.8130 1.2074 0.4041 0.116 Uiso 1 1 calc R . .
C27 C 0.6397(3) 1.0833(7) 0.4297(3) 0.076(2) Uani 1 1 d . . .
C28 C 0.6131(4) 1.1014(8) 0.4827(4) 0.095(3) Uani 1 1 d . . .
H28A H 0.6388 1.1018 0.5273 0.113 Uiso 1 1 calc R . .
C29 C 0.5497(4) 1.1187(11) 0.4715(5) 0.151(5) Uani 1 1 d . . .
H29A H 0.5322 1.1331 0.5079 0.181 Uiso 1 1 calc R . .
C30 C 0.5129(5) 1.1146(18) 0.4069(7) 0.285(14) Uani 1 1 d . . .
H30A H 0.4696 1.1280 0.3984 0.342 Uiso 1 1 calc R . .
C31 C 0.5376(5) 1.0917(19) 0.3551(5) 0.295(14) Uani 1 1 d . . .
H31A H 0.5109 1.0841 0.3111 0.354 Uiso 1 1 calc R . .
C32 C 0.6016(4) 1.0788(13) 0.3648(4) 0.166(6) Uani 1 1 d . . .
H32A H 0.6186 1.0673 0.3277 0.199 Uiso 1 1 calc R . .
C33 C 0.7372(3) 1.0223(7) 0.3634(3) 0.075(2) Uani 1 1 d . . .
H33A H 0.7283 1.0821 0.3300 0.090 Uiso 1 1 calc R . .
C34 C 0.7592(3) 0.9197(7) 0.3516(3) 0.080(2) Uani 1 1 d . . .
H34A H 0.7683 0.9054 0.3100 0.096 Uiso 1 1 calc R . .
C35 C 0.8450(2) 0.7278(5) 0.4094(3) 0.0526(13) Uani 1 1 d . . .
C36 C 0.8503(3) 0.6863(7) 0.3469(3) 0.0764(19) Uani 1 1 d . . .
H36A H 0.8176 0.7001 0.3077 0.092 Uiso 1 1 calc R . .
C37 C 0.9034(4) 0.6249(7) 0.3419(4) 0.087(2) Uani 1 1 d . . .
H37A H 0.9065 0.5982 0.2993 0.105 Uiso 1 1 calc R . .
C38 C 0.9510(3) 0.6031(6) 0.3985(4) 0.078(2) Uani 1 1 d . . .
H38A H 0.9868 0.5612 0.3950 0.094 Uiso 1 1 calc R . .
C39 C 0.9464(3) 0.6426(6) 0.4606(4) 0.0720(18) Uani 1 1 d . . .
H39A H 0.9792 0.6276 0.4996 0.086 Uiso 1 1 calc R . .
C40 C 0.8935(3) 0.7048(6) 0.4664(3) 0.0603(15) Uani 1 1 d . . .
H40A H 0.8908 0.7312 0.5092 0.072 Uiso 1 1 calc R . .
C41 C 0.7131(3) 0.6889(8) 0.3773(3) 0.078(2) Uani 1 1 d . . .
C42 C 0.6599(3) 0.7203(10) 0.3269(4) 0.116(4) Uani 1 1 d . . .
H42A H 0.6548 0.7978 0.3087 0.139 Uiso 1 1 calc R . .
C43 C 0.6137(6) 0.6319(14) 0.3038(7) 0.160(7) Uani 1 1 d . . .
H43A H 0.5770 0.6517 0.2703 0.192 Uiso 1 1 calc R . .
C44 C 0.6205(7) 0.5220(18) 0.3282(9) 0.189(10) Uani 1 1 d . . .
H44A H 0.5884 0.4662 0.3119 0.226 Uiso 1 1 calc R . .
C45 C 0.6733(6) 0.4872(11) 0.3767(7) 0.141(4) Uani 1 1 d . . .
H45A H 0.6785 0.4084 0.3928 0.169 Uiso 1 1 calc R . .
C46 C 0.7201(4) 0.5760(8) 0.4016(5) 0.094(2) Uani 1 1 d . . .
H46A H 0.7565 0.5556 0.4355 0.113 Uiso 1 1 calc R . .
P3 P 0.61213(9) 0.31312(19) 0.67216(9) 0.0755(5) Uani 1 1 d . . .
F1 F 0.5737(2) 0.3724(4) 0.6020(2) 0.1139(16) Uani 1 1 d . . .
F2 F 0.6339(3) 0.4421(4) 0.7012(2) 0.1183(16) Uani 1 1 d . . .
F3 F 0.6497(2) 0.2559(4) 0.7423(2) 0.1145(15) Uani 1 1 d . . .
F4 F 0.5912(3) 0.1870(5) 0.6427(3) 0.156(2) Uani 1 1 d . . .
F5 F 0.5518(2) 0.3262(7) 0.6980(3) 0.145(2) Uani 1 1 d . . .
F6 F 0.6718(3) 0.3071(7) 0.6441(3) 0.156(2) Uani 1 1 d . . .
P4 P 0.05249(9) 0.67227(19) 0.18228(10) 0.0784(5) Uani 1 1 d . . .
F7 F 0.0316(2) 0.7980(5) 0.2042(3) 0.142(2) Uani 1 1 d . . .
F8 F 0.0017(3) 0.6778(6) 0.1137(3) 0.155(2) Uani 1 1 d . . .
F9 F 0.0992(3) 0.6647(5) 0.2537(3) 0.196(4) Uani 1 1 d . . .
F10 F 0.1018(4) 0.7397(9) 0.1572(5) 0.245(5) Uani 1 1 d . . .
F11 F 0.0024(5) 0.6124(7) 0.2075(5) 0.237(5) Uani 1 1 d . . .
F12 F 0.0738(3) 0.5505(6) 0.1613(4) 0.206(4) Uani 1 1 d . . .
O1 O 0.4006(9) 0.282(2) 0.3280(10) 0.214(8) Uiso 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
N4 Os1 N2 168.16(16) . . ?
N4 Os1 N3 77.63(16) . . ?
N2 Os1 N3 93.49(16) . . ?
N4 Os1 N1 93.67(16) . . ?
N2 Os1 N1 76.90(17) . . ?
N3 Os1 N1 79.81(16) . . ?
N4 Os1 P2 99.47(12) . . ?
N2 Os1 P2 89.43(12) . . ?
N3 Os1 P2 177.08(12) . . ?
N1 Os1 P2 100.83(12) . . ?
N4 Os1 P1 85.97(12) . . ?
N2 Os1 P1 102.91(14) . . ?
N3 Os1 P1 96.01(12) . . ?
N1 Os1 P1 175.78(11) . . ?
P2 Os1 P1 83.38(7) . . ?
C27 P1 C21 104.1(3) . . ?
C27 P1 C33 104.7(3) . . ?
C21 P1 C33 103.6(3) . . ?
C27 P1 Os1 119.5(2) . . ?
C21 P1 Os1 114.6(2) . . ?
C33 P1 Os1 108.8(2) . . ?
C34 P2 C35 104.3(3) . . ?
C34 P2 C41 102.6(4) . . ?
C35 P2 C41 100.6(3) . . ?
C34 P2 Os1 108.3(2) . . ?
C35 P2 Os1 122.39(18) . . ?
C41 P2 Os1 116.4(2) . . ?
C1 N1 C5 118.2(5) . . ?
C1 N1 Os1 126.1(4) . . ?
C5 N1 Os1 114.3(3) . . ?
C6 N2 C10 116.6(5) . . ?
C6 N2 Os1 117.0(3) . . ?
C10 N2 Os1 126.2(4) . . ?
C11 N3 C15 118.6(5) . . ?
C11 N3 Os1 126.1(4) . . ?
C15 N3 Os1 115.1(3) . . ?
C20 N4 C16 116.8(5) . . ?
C20 N4 Os1 127.5(4) . . ?
C16 N4 Os1 115.5(3) . . ?
N1 C1 C2 122.6(5) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C3 C2 C1 119.5(6) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C2 C3 C4 119.0(6) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C3 C4 C5 120.5(6) . . ?
C3 C4 H4A 119.8 . . ?
C5 C4 H4A 119.8 . . ?
N1 C5 C4 120.1(5) . . ?
N1 C5 C6 114.9(5) . . ?
C4 C5 C6 125.0(5) . . ?
N2 C6 C7 122.2(6) . . ?
N2 C6 C5 115.5(5) . . ?
C7 C6 C5 122.2(6) . . ?
C8 C7 C6 118.6(8) . . ?
C8 C7 H7A 120.7 . . ?
C6 C7 H7A 120.7 . . ?
C9 C8 C7 120.1(8) . . ?
C9 C8 H8A 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C8 C9 C10 119.3(7) . . ?
C8 C9 H9A 120.3 . . ?
C10 C9 H9A 120.3 . . ?
N2 C10 C9 123.0(7) . . ?
N2 C10 H10A 118.5 . . ?
C9 C10 H10A 118.5 . . ?
N3 C11 C12 122.5(6) . . ?
N3 C11 H11A 118.8 . . ?
C12 C11 H11A 118.8 . . ?
C13 C12 C11 119.3(6) . . ?
C13 C12 H12A 120.3 . . ?
C11 C12 H12A 120.3 . . ?
C12 C13 C14 119.3(6) . . ?
C12 C13 H13A 120.4 . . ?
C14 C13 H13A 120.4 . . ?
C13 C14 C15 119.9(6) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
N3 C15 C14 120.4(6) . . ?
N3 C15 C16 115.9(5) . . ?
C14 C15 C16 123.7(6) . . ?
N4 C16 C17 120.4(6) . . ?
N4 C16 C15 115.3(5) . . ?
C17 C16 C15 124.2(6) . . ?
C18 C17 C16 120.5(7) . . ?
C18 C17 H17A 119.8 . . ?
C16 C17 H17A 119.8 . . ?
C17 C18 C19 119.1(7) . . ?
C17 C18 H18A 120.4 . . ?
C19 C18 H18A 120.4 . . ?
C20 C19 C18 118.7(6) . . ?
C20 C19 H19A 120.6 . . ?
C18 C19 H19A 120.6 . . ?
N4 C20 C19 124.3(6) . . ?
N4 C20 H20A 117.9 . . ?
C19 C20 H20A 117.9 . . ?
C26 C21 C22 116.3(8) . . ?
C26 C21 P1 123.1(6) . . ?
C22 C21 P1 120.1(6) . . ?
C23 C22 C21 121.0(9) . . ?
C23 C22 H22A 119.5 . . ?
C21 C22 H22A 119.5 . . ?
C24 C23 C22 121.5(12) . . ?
C24 C23 H23A 119.3 . . ?
C22 C23 H23A 119.3 . . ?
C23 C24 C25 121.6(12) . . ?
C23 C24 H24A 119.2 . . ?
C25 C24 H24A 119.2 . . ?
C24 C25 C26 119.0(10) . . ?
C24 C25 H25A 120.5 . . ?
C26 C25 H25A 120.5 . . ?
C21 C26 C25 120.6(9) . . ?
C21 C26 H26A 119.7 . . ?
C25 C26 H26A 119.7 . . ?
C32 C27 C28 119.1(7) . . ?
C32 C27 P1 120.7(6) . . ?
C28 C27 P1 119.8(5) . . ?
C29 C28 C27 121.4(7) . . ?
C29 C28 H28A 119.3 . . ?
C27 C28 H28A 119.3 . . ?
C30 C29 C28 118.7(9) . . ?
C30 C29 H29A 120.7 . . ?
C28 C29 H29A 120.7 . . ?
C31 C30 C29 120.7(10) . . ?
C31 C30 H30A 119.6 . . ?
C29 C30 H30A 119.6 . . ?
C30 C31 C32 121.6(10) . . ?
C30 C31 H31A 119.2 . . ?
C32 C31 H31A 119.2 . . ?
C27 C32 C31 118.5(9) . . ?
C27 C32 H32A 120.8 . . ?
C31 C32 H32A 120.8 . . ?
C34 C33 P1 118.0(5) . . ?
C34 C33 H33A 121.0 . . ?
P1 C33 H33A 121.0 . . ?
C33 C34 P2 119.9(5) . . ?
C33 C34 H34A 120.1 . . ?
P2 C34 H34A 120.1 . . ?
C40 C35 C36 118.3(5) . . ?
C40 C35 P2 120.9(4) . . ?
C36 C35 P2 120.7(4) . . ?
C35 C36 C37 120.8(6) . . ?
C35 C36 H36A 119.6 . . ?
C37 C36 H36A 119.6 . . ?
C38 C37 C36 120.2(7) . . ?
C38 C37 H37A 119.9 . . ?
C36 C37 H37A 119.9 . . ?
C37 C38 C39 119.8(6) . . ?
C37 C38 H38A 120.1 . . ?
C39 C38 H38A 120.1 . . ?
C38 C39 C40 120.6(6) . . ?
C38 C39 H39A 119.7 . . ?
C40 C39 H39A 119.7 . . ?
C35 C40 C39 120.2(6) . . ?
C35 C40 H40A 119.9 . . ?
C39 C40 H40A 119.9 . . ?
C46 C41 C42 120.1(9) . . ?
C46 C41 P2 119.0(6) . . ?
C42 C41 P2 120.8(8) . . ?
C41 C42 C43 117.8(11) . . ?
C41 C42 H42A 121.1 . . ?
C43 C42 H42A 121.1 . . ?
C44 C43 C42 121.8(15) . . ?
C44 C43 H43A 119.1 . . ?
C42 C43 H43A 119.1 . . ?
C43 C44 C45 121.8(16) . . ?
C43 C44 H44A 119.1 . . ?
C45 C44 H44A 119.1 . . ?
C44 C45 C46 117.2(14) . . ?
C44 C45 H45A 121.4 . . ?
C46 C45 H45A 121.4 . . ?
C41 C46 C45 121.2(10) . . ?
C41 C46 H46A 119.4 . . ?
C45 C46 H46A 119.4 . . ?
F4 P3 F5 91.3(4) . . ?
F4 P3 F6 90.7(4) . . ?
F5 P3 F6 176.7(4) . . ?
F4 P3 F3 90.7(3) . . ?
F5 P3 F3 91.3(3) . . ?
F6 P3 F3 91.3(3) . . ?
F4 P3 F2 179.1(4) . . ?
F5 P3 F2 89.4(3) . . ?
F6 P3 F2 88.5(4) . . ?
F3 P3 F2 89.8(3) . . ?
F4 P3 F1 89.9(3) . . ?
F5 P3 F1 88.1(3) . . ?
F6 P3 F1 89.4(3) . . ?
F3 P3 F1 179.1(3) . . ?
F2 P3 F1 89.6(3) . . ?
F11 P4 F10 176.9(6) . . ?
F11 P4 F12 90.5(5) . . ?
F10 P4 F12 92.6(5) . . ?
F11 P4 F9 91.2(6) . . ?
F10 P4 F9 89.2(5) . . ?
F12 P4 F9 92.1(3) . . ?
F11 P4 F8 84.6(5) . . ?
F10 P4 F8 95.0(5) . . ?
F12 P4 F8 89.1(3) . . ?
F9 P4 F8 175.6(5) . . ?
F11 P4 F7 90.2(4) . . ?
F10 P4 F7 86.7(5) . . ?
F12 P4 F7 179.2(4) . . ?
F9 P4 F7 87.4(3) . . ?
F8 P4 F7 91.4(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 N4 2.077(4) . ?
Os1 N2 2.090(4) . ?
Os1 N3 2.111(4) . ?
Os1 N1 2.134(4) . ?
Os1 P2 2.2844(18) . ?
Os1 P1 2.2911(18) . ?
P1 C27 1.822(6) . ?
P1 C21 1.820(7) . ?
P1 C33 1.824(6) . ?
P2 C34 1.815(7) . ?
P2 C35 1.826(5) . ?
P2 C41 1.836(8) . ?
N1 C1 1.332(6) . ?
N1 C5 1.368(6) . ?
N2 C6 1.340(7) . ?
N2 C10 1.358(7) . ?
N3 C11 1.332(7) . ?
N3 C15 1.343(7) . ?
N4 C20 1.347(6) . ?
N4 C16 1.375(7) . ?
C1 C2 1.369(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.351(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.362(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.375(8) . ?
C4 H4A 0.9300 . ?
C5 C6 1.464(8) . ?
C6 C7 1.379(8) . ?
C7 C8 1.377(12) . ?
C7 H7A 0.9300 . ?
C8 C9 1.326(11) . ?
C8 H8A 0.9300 . ?
C9 C10 1.367(10) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C12 1.366(8) . ?
C11 H11A 0.9300 . ?
C12 C13 1.341(9) . ?
C12 H12A 0.9300 . ?
C13 C14 1.365(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.379(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.449(8) . ?
C16 C17 1.392(8) . ?
C17 C18 1.358(10) . ?
C17 H17A 0.9300 . ?
C18 C19 1.374(11) . ?
C18 H18A 0.9300 . ?
C19 C20 1.358(9) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C26 1.395(9) . ?
C21 C22 1.402(10) . ?
C22 C23 1.362(12) . ?
C22 H22A 0.9300 . ?
C23 C24 1.316(14) . ?
C23 H23A 0.9300 . ?
C24 C25 1.346(16) . ?
C24 H24A 0.9300 . ?
C25 C26 1.412(13) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C32 1.358(10) . ?
C27 C28 1.363(9) . ?
C28 C29 1.358(11) . ?
C28 H28A 0.9300 . ?
C29 C30 1.343(14) . ?
C29 H29A 0.9300 . ?
C30 C31 1.325(15) . ?
C30 H30A 0.9300 . ?
C31 C32 1.369(14) . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9300 . ?
C33 C34 1.282(9) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
C35 C40 1.369(8) . ?
C35 C36 1.380(8) . ?
C36 C37 1.373(9) . ?
C36 H36A 0.9300 . ?
C37 C38 1.350(11) . ?
C37 H37A 0.9300 . ?
C38 C39 1.361(10) . ?
C38 H38A 0.9300 . ?
C39 C40 1.379(8) . ?
C39 H39A 0.9300 . ?
C40 H40A 0.9300 . ?
C41 C46 1.340(11) . ?
C41 C42 1.375(10) . ?
C42 C43 1.398(16) . ?
C42 H42A 0.9300 . ?
C43 C44 1.31(2) . ?
C43 H43A 0.9300 . ?
C44 C45 1.358(19) . ?
C44 H44A 0.9300 . ?
C45 C46 1.415(12) . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
P3 F4 1.542(5) . ?
P3 F5 1.550(5) . ?
P3 F6 1.558(5) . ?
P3 F3 1.574(5) . ?
P3 F2 1.572(5) . ?
P3 F1 1.589(5) . ?
P4 F11 1.483(7) . ?
P4 F10 1.507(7) . ?
P4 F12 1.526(6) . ?
P4 F9 1.535(5) . ?
P4 F8 1.532(5) . ?
P4 F7 1.568(5) . ?
