#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:07:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179741 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/37/7003707.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_7003707
loop_
_publ_author_name
'Riis-Johannessen, Thomas'
'Dupont, Nathalie'
'Canard, Gabriel'
'Bernardinelli, Gérald'
'Hauser, Andreas'
'Piguet, Claude'
_publ_section_title
;
 Towards inert and preorganized d-block-containing receptors for
 trivalent lanthanides: The synthesis and characterization of
 triple-helical monometallic OsII and bimetallic OsII--LnIII complexes
;
_journal_issue                   28
_journal_name_full               'Dalton Transactions'
_journal_page_first              3661
_journal_page_last               3677
_journal_paper_doi               10.1039/b718885d
_journal_year                    2008
_chemical_formula_moiety
;
(C42 H39 N9 Os), (F6 P)2
;
_chemical_formula_sum            'C42 H39 F12 N9 Os P2'
_chemical_formula_weight         1149.96
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 117.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   43.243(9)
_cell_length_b                   10.705(2)
_cell_length_c                   20.753(4)
_cell_measurement_reflns_used    5672
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      47.257
_cell_measurement_theta_min      4.415
_cell_volume                     8541(4)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SHELXTL (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXTL (Bruker, 2001)'
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.5
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'frames each covering 0.3° inω'
_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  0.0915
_diffrn_reflns_av_sigmaI/netI    0.0954
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            46976
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    3.159
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.852487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4544
_exptl_crystal_size_max          0.075
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         5.751
_refine_diff_density_min         -2.174
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         9795
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0401P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                7090
_reflns_number_total             9795
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b718885d.txt
_cod_data_source_block           cr28007m
_cod_original_cell_volume        8541(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7003707
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.126307(6) 0.53369(2) 0.082206(15) 0.02028(8) Uani 1 1 d . . .
N1A N 0.02764(13) 0.6484(5) 0.0465(3) 0.0246(13) Uani 1 1 d . . .
N2A N 0.07978(13) 0.5561(4) 0.0869(3) 0.0211(12) Uani 1 1 d . . .
N3A N 0.10396(13) 0.6852(5) 0.0146(3) 0.0226(12) Uani 1 1 d . . .
C1A C 0.02880(16) 0.5548(5) 0.0935(4) 0.0229(14) Uani 1 1 d . . .
C2A C 0.00439(17) 0.5130(6) 0.1147(4) 0.0306(16) Uani 1 1 d . . .
H4 H -0.0173 0.5510 0.0976 0.037 Uiso 1 1 calc R . .
C3A C 0.01335(18) 0.4142(6) 0.1614(4) 0.0328(17) Uani 1 1 d . . .
H17 H -0.0026 0.3839 0.1760 0.039 Uiso 1 1 calc R . .
C4A C 0.04625(18) 0.3571(6) 0.1880(4) 0.0311(17) Uani 1 1 d . . .
H30 H 0.0515 0.2898 0.2196 0.037 Uiso 1 1 calc R . .
C5A C 0.07070(16) 0.3987(6) 0.1683(4) 0.0267(15) Uani 1 1 d . . .
H16 H 0.0927 0.3625 0.1874 0.032 Uiso 1 1 calc R . .
C6A C 0.06157(16) 0.4971(5) 0.1187(4) 0.0218(15) Uani 1 1 d . . .
C7A C 0.05858(15) 0.6441(5) 0.0436(4) 0.0213(14) Uani 1 1 d . . .
C8A C 0.07064(15) 0.7175(5) 0.0007(4) 0.0204(14) Uani 1 1 d . . .
C9A C 0.05158(17) 0.8055(6) -0.0525(4) 0.0288(16) Uani 1 1 d . . .
H29 H 0.0290 0.8252 -0.0616 0.035 Uiso 1 1 calc R . .
C10A C 0.06598(17) 0.8624(6) -0.0909(4) 0.0318(17) Uani 1 1 d . . .
H13 H 0.0530 0.9185 -0.1276 0.038 Uiso 1 1 calc R . .
C11A C 0.10057(17) 0.8355(6) -0.0747(4) 0.0276(15) Uani 1 1 d . . .
C12A C 0.11789(16) 0.7478(6) -0.0220(4) 0.0249(15) Uani 1 1 d . . .
H18 H 0.1409 0.7304 -0.0109 0.030 Uiso 1 1 calc R . .
C13A C -0.00132(16) 0.7351(6) 0.0106(4) 0.0298(16) Uani 1 1 d . . .
H25A H 0.0074 0.8191 0.0173 0.045 Uiso 1 1 calc R . .
H25B H -0.0171 0.7268 0.0310 0.045 Uiso 1 1 calc R . .
H25C H -0.0133 0.7165 -0.0403 0.045 Uiso 1 1 calc R . .
C14A C 0.11858(19) 0.8989(7) -0.1139(4) 0.042(2) Uani 1 1 d . . .
H28A H 0.1211 0.9864 -0.1025 0.063 Uiso 1 1 calc R . .
H28B H 0.1049 0.8881 -0.1652 0.063 Uiso 1 1 calc R . .
H28C H 0.1411 0.8622 -0.0986 0.063 Uiso 1 1 calc R . .
N1B N 0.12912(15) 0.1637(5) 0.1431(4) 0.0317(14) Uani 1 1 d . . .
N2B N 0.13967(13) 0.3671(5) 0.1387(3) 0.0244(13) Uani 1 1 d . . .
N3B N 0.10165(13) 0.4021(5) 0.0014(3) 0.0248(13) Uani 1 1 d . . .
C1B C 0.15028(18) 0.2002(6) 0.2121(4) 0.0285(16) Uani 1 1 d . . .
C2B C 0.16312(19) 0.1373(7) 0.2768(5) 0.0382(19) Uani 1 1 d . . .
H37 H 0.1583 0.0531 0.2787 0.046 Uiso 1 1 calc R . .
C3B C 0.1833(2) 0.2029(8) 0.3382(5) 0.048(2) Uani 1 1 d . . .
H41 H 0.1919 0.1627 0.3828 0.058 Uiso 1 1 calc R . .
C4B C 0.19132(19) 0.3281(7) 0.3363(5) 0.041(2) Uani 1 1 d . . .
H40 H 0.2056 0.3686 0.3794 0.049 Uiso 1 1 calc R . .
C5B C 0.17861(18) 0.3947(7) 0.2715(4) 0.0342(17) Uani 1 1 d . . .
H26 H 0.1840 0.4784 0.2700 0.041 Uiso 1 1 calc R . .
C6B C 0.15751(16) 0.3287(6) 0.2097(4) 0.0247(15) Uani 1 1 d . . .
C7B C 0.12300(16) 0.2660(6) 0.0991(4) 0.0255(16) Uani 1 1 d . . .
C8B C 0.10246(17) 0.2804(6) 0.0218(4) 0.0275(16) Uani 1 1 d . . .
C9B C 0.08673(17) 0.1880(6) -0.0281(4) 0.0345(18) Uani 1 1 d . . .
H22 H 0.0874 0.1060 -0.0126 0.041 Uiso 1 1 calc R . .
C10B C 0.06967(18) 0.2155(6) -0.1021(4) 0.0349(18) Uani 1 1 d . . .
H34 H 0.0586 0.1528 -0.1360 0.042 Uiso 1 1 calc R . .
C11B C 0.06951(16) 0.3377(7) -0.1239(4) 0.0302(17) Uani 1 1 d . . .
C12B C 0.08568(16) 0.4275(6) -0.0702(4) 0.0269(16) Uani 1 1 d . . .
H38 H 0.0855 0.5099 -0.0846 0.032 Uiso 1 1 calc R . .
C13B C 0.1167(2) 0.0337(6) 0.1210(4) 0.045(2) Uani 1 1 d . . .
H39A H 0.1245 0.0044 0.0871 0.067 Uiso 1 1 calc R . .
H39B H 0.0918 0.0320 0.0988 0.067 Uiso 1 1 calc R . .
H39C H 0.1259 -0.0194 0.1630 0.067 Uiso 1 1 calc R . .
C14B C 0.05216(19) 0.3732(7) -0.2012(4) 0.0409(19) Uani 1 1 d . . .
H42A H 0.0498 0.3009 -0.2304 0.061 Uiso 1 1 calc R . .
H42B H 0.0658 0.4353 -0.2100 0.061 Uiso 1 1 calc R . .
H42C H 0.0295 0.4065 -0.2135 0.061 Uiso 1 1 calc R . .
N1C N 0.20897(13) 0.7419(5) 0.2318(3) 0.0236(12) Uani 1 1 d . . .
N2C N 0.15747(13) 0.6509(4) 0.1655(3) 0.0207(12) Uani 1 1 d . . .
N3C N 0.17194(13) 0.5344(5) 0.0743(3) 0.0253(12) Uani 1 1 d . . .
C1C C 0.18880(17) 0.7682(6) 0.2649(4) 0.0249(15) Uani 1 1 d . . .
C2C C 0.19564(18) 0.8315(6) 0.3286(4) 0.0275(16) Uani 1 1 d . . .
H35 H 0.2174 0.8662 0.3576 0.033 Uiso 1 1 calc R . .
C3C C 0.16861(19) 0.8405(6) 0.3471(4) 0.0334(17) Uani 1 1 d . . .
H23 H 0.1723 0.8832 0.3890 0.040 Uiso 1 1 calc R . .
C4C C 0.1361(2) 0.7872(6) 0.3043(4) 0.0359(18) Uani 1 1 d . . .
H33 H 0.1186 0.7957 0.3183 0.043 Uiso 1 1 calc R . .
C5C C 0.12932(17) 0.7219(6) 0.2416(4) 0.0277(16) Uani 1 1 d . . .
H20 H 0.1076 0.6863 0.2133 0.033 Uiso 1 1 calc R . .
C6C C 0.15613(17) 0.7116(6) 0.2225(4) 0.0247(15) Uani 1 1 d . . .
C7C C 0.18960(16) 0.6726(5) 0.1721(4) 0.0228(15) Uani 1 1 d . . .
C8C C 0.19869(16) 0.6141(6) 0.1211(4) 0.0239(15) Uani 1 1 d . . .
C9C C 0.22817(17) 0.6275(6) 0.1131(4) 0.0311(17) Uani 1 1 d . . .
H6 H 0.2453 0.6827 0.1431 0.037 Uiso 1 1 calc R . .
C10C C 0.23302(18) 0.5616(6) 0.0620(4) 0.0327(17) Uani 1 1 d . . .
H27 H 0.2531 0.5736 0.0568 0.039 Uiso 1 1 calc R . .
C11C C 0.20761(16) 0.4754(6) 0.0171(4) 0.0271(15) Uani 1 1 d . . .
C12C C 0.17793(16) 0.4662(6) 0.0266(4) 0.0262(14) Uani 1 1 d . . .
H10 H 0.1610 0.4089 -0.0020 0.031 Uiso 1 1 calc R . .
C13C C 0.24483(16) 0.7861(6) 0.2569(4) 0.0330(17) Uani 1 1 d . . .
H36A H 0.2594 0.7171 0.2587 0.049 Uiso 1 1 calc R . .
H36B H 0.2532 0.8218 0.3044 0.049 Uiso 1 1 calc R . .
H36C H 0.2453 0.8482 0.2240 0.049 Uiso 1 1 calc R . .
C14C C 0.21193(18) 0.3934(7) -0.0362(4) 0.0371(18) Uani 1 1 d . . .
H31A H 0.2157 0.3089 -0.0188 0.056 Uiso 1 1 calc R . .
H31B H 0.2315 0.4212 -0.0423 0.056 Uiso 1 1 calc R . .
H31C H 0.1913 0.3971 -0.0819 0.056 Uiso 1 1 calc R . .
P1D P 0.20136(5) 0.03806(19) 0.07856(10) 0.0310(4) Uani 1 1 d . . .
F1D F 0.24005(12) -0.0037(5) 0.1287(3) 0.0758(18) Uani 1 1 d . . .
F2D F 0.18781(15) -0.0975(4) 0.0780(3) 0.0762(17) Uani 1 1 d . . .
F3D F 0.19732(12) 0.0663(5) 0.1490(3) 0.0612(14) Uani 1 1 d . . .
F4D F 0.16274(12) 0.0817(5) 0.0277(3) 0.0785(17) Uani 1 1 d . . .
F5D F 0.21582(17) 0.1739(5) 0.0787(3) 0.0877(19) Uani 1 1 d . . .
F6D F 0.20580(12) 0.0088(4) 0.0076(2) 0.0561(13) Uani 1 1 d . . .
P1E P 0.03790(5) 0.97626(18) 0.17351(11) 0.0321(4) Uani 1 1 d . . .
F1E F 0.05752(11) 0.8690(4) 0.1527(3) 0.0518(13) Uani 1 1 d . . .
F2E F 0.02303(13) 1.0280(4) 0.0933(3) 0.0617(14) Uani 1 1 d . . .
F3E F 0.07145(12) 1.0650(4) 0.1983(3) 0.0524(13) Uani 1 1 d . . .
F4E F 0.05382(14) 0.9257(4) 0.2543(3) 0.0652(15) Uani 1 1 d . . .
F5E F 0.00538(12) 0.8873(5) 0.1499(3) 0.0658(15) Uani 1 1 d . . .
F6E F 0.01805(11) 1.0837(4) 0.1932(3) 0.0494(12) 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'
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'
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
N3C Os1 N2C 77.4(2) . . ?
N3C Os1 N2B 91.1(2) . . ?
N2C Os1 N2B 98.2(2) . . ?
N3C Os1 N3A 96.3(2) . . ?
N2C Os1 N3A 90.8(2) . . ?
N2B Os1 N3A 169.3(2) . . ?
N3C Os1 N2A 172.95(19) . . ?
N2C Os1 N2A 99.6(2) . . ?
N2B Os1 N2A 95.65(19) . . ?
N3A Os1 N2A 77.26(19) . . ?
N3C Os1 N3B 95.5(2) . . ?
N2C Os1 N3B 171.57(19) . . ?
N2B Os1 N3B 77.3(2) . . ?
N3A Os1 N3B 94.4(2) . . ?
N2A Os1 N3B 88.04(19) . . ?
C7A N1A C1A 106.6(5) . . ?
C7A N1A C13A 128.9(5) . . ?
C1A N1A C13A 124.5(5) . . ?
C7A N2A C6A 106.0(5) . . ?
C7A N2A Os1 115.7(4) . . ?
C6A N2A Os1 138.0(4) . . ?
C12A N3A C8A 116.9(5) . . ?
C12A N3A Os1 125.6(4) . . ?
C8A N3A Os1 117.2(4) . . ?
N1A C1A C2A 131.9(6) . . ?
N1A C1A C6A 106.5(5) . . ?
C2A C1A C6A 121.5(6) . . ?
C3A C2A C1A 117.6(6) . . ?
C2A C3A C4A 121.4(6) . . ?
C5A C4A C3A 121.4(6) . . ?
C4A C5A C6A 117.9(6) . . ?
N2A C6A C5A 131.5(6) . . ?
N2A C6A C1A 108.5(5) . . ?
C5A C6A C1A 120.0(6) . . ?
N2A C7A N1A 112.3(5) . . ?
N2A C7A C8A 117.8(5) . . ?
N1A C7A C8A 129.9(6) . . ?
N3A C8A C9A 121.1(6) . . ?
N3A C8A C7A 111.8(5) . . ?
C9A C8A C7A 127.0(6) . . ?
C10A C9A C8A 120.2(6) . . ?
C9A C10A C11A 119.4(6) . . ?
C12A C11A C10A 117.6(6) . . ?
C12A C11A C14A 120.3(6) . . ?
C10A C11A C14A 122.1(6) . . ?
N3A C12A C11A 124.6(6) . . ?
C1B N1B C7B 107.7(6) . . ?
C1B N1B C13B 124.7(6) . . ?
C7B N1B C13B 127.6(7) . . ?
C7B N2B C6B 107.1(5) . . ?
C7B N2B Os1 114.4(5) . . ?
C6B N2B Os1 137.7(4) . . ?
C12B N3B C8B 117.5(6) . . ?
C12B N3B Os1 124.7(4) . . ?
C8B N3B Os1 117.8(5) . . ?
N1B C1B C2B 131.8(7) . . ?
N1B C1B C6B 107.2(6) . . ?
C2B C1B C6B 121.0(7) . . ?
C3B C2B C1B 117.4(7) . . ?
C2B C3B C4B 122.0(7) . . ?
C3B C4B C5B 121.9(8) . . ?
C6B C5B C4B 115.8(7) . . ?
N2B C6B C5B 130.6(6) . . ?
N2B C6B C1B 107.6(6) . . ?
C5B C6B C1B 121.8(6) . . ?
N2B C7B N1B 110.3(6) . . ?
N2B C7B C8B 118.5(6) . . ?
N1B C7B C8B 131.2(6) . . ?
N3B C8B C9B 121.5(7) . . ?
N3B C8B C7B 111.2(6) . . ?
C9B C8B C7B 127.1(7) . . ?
C8B C9B C10B 120.6(7) . . ?
C11B C10B C9B 118.7(7) . . ?
C10B C11B C12B 117.7(7) . . ?
C10B C11B C14B 121.6(7) . . ?
C12B C11B C14B 120.8(7) . . ?
N3B C12B C11B 124.0(6) . . ?
C7C N1C C1C 107.6(5) . . ?
C7C N1C C13C 127.6(6) . . ?
C1C N1C C13C 124.7(6) . . ?
C7C N2C C6C 106.1(5) . . ?
C7C N2C Os1 115.9(4) . . ?
C6C N2C Os1 137.9(4) . . ?
C12C N3C C8C 117.5(5) . . ?
C12C N3C Os1 124.9(4) . . ?
C8C N3C Os1 117.6(4) . . ?
N1C C1C C2C 132.2(6) . . ?
N1C C1C C6C 106.6(6) . . ?
C2C C1C C6C 121.1(6) . . ?
C3C C2C C1C 117.1(6) . . ?
C2C C3C C4C 121.8(7) . . ?
C5C C4C C3C 121.5(7) . . ?
C4C C5C C6C 117.5(7) . . ?
N2C C6C C5C 130.6(6) . . ?
N2C C6C C1C 108.3(6) . . ?
C5C C6C C1C 121.0(6) . . ?
N2C C7C N1C 111.3(6) . . ?
N2C C7C C8C 117.8(6) . . ?
N1C C7C C8C 130.7(6) . . ?
C9C C8C N3C 119.9(6) . . ?
C9C C8C C7C 129.1(6) . . ?
N3C C8C C7C 111.0(5) . . ?
C8C C9C C10C 121.5(6) . . ?
C9C C10C C11C 120.0(6) . . ?
C12C C11C C10C 116.4(6) . . ?
C12C C11C C14C 120.1(6) . . ?
C10C C11C C14C 123.5(6) . . ?
N3C C12C C11C 124.5(6) . . ?
F2D P1D F1D 91.3(3) . . ?
F2D P1D F3D 89.1(3) . . ?
F1D P1D F3D 88.6(3) . . ?
F2D P1D F5D 178.5(3) . . ?
F1D P1D F5D 87.7(3) . . ?
F3D P1D F5D 91.9(3) . . ?
F2D P1D F4D 89.5(3) . . ?
F1D P1D F4D 179.1(3) . . ?
F3D P1D F4D 91.8(3) . . ?
F5D P1D F4D 91.5(3) . . ?
F2D P1D F6D 90.8(3) . . ?
F1D P1D F6D 90.8(3) . . ?
F3D P1D F6D 179.4(3) . . ?
F5D P1D F6D 88.1(3) . . ?
F4D P1D F6D 88.8(3) . . ?
F5E P1E F2E 90.6(3) . . ?
F5E P1E F4E 90.9(3) . . ?
F2E P1E F4E 178.4(3) . . ?
F5E P1E F6E 90.4(3) . . ?
F2E P1E F6E 90.6(3) . . ?
F4E P1E F6E 90.0(3) . . ?
F5E P1E F1E 89.5(3) . . ?
F2E P1E F1E 88.7(3) . . ?
F4E P1E F1E 90.7(3) . . ?
F6E P1E F1E 179.3(3) . . ?
F5E P1E F3E 179.0(3) . . ?
F2E P1E F3E 90.2(3) . . ?
F4E P1E F3E 88.4(3) . . ?
F6E P1E F3E 90.2(2) . . ?
F1E P1E F3E 89.9(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 N3C 2.053(5) . ?
Os1 N2C 2.061(5) . ?
Os1 N2B 2.066(5) . ?
Os1 N3A 2.072(5) . ?
Os1 N2A 2.072(5) . ?
Os1 N3B 2.073(6) . ?
N1A C7A 1.367(7) . ?
N1A C1A 1.384(8) . ?
N1A C13A 1.460(7) . ?
N2A C7A 1.335(7) . ?
N2A C6A 1.390(8) . ?
N3A C12A 1.343(8) . ?
N3A C8A 1.378(7) . ?
C1A C2A 1.389(9) . ?
C1A C6A 1.409(8) . ?
C2A C3A 1.366(9) . ?
C3A C4A 1.408(9) . ?
C4A C5A 1.370(8) . ?
C5A C6A 1.398(9) . ?
C7A C8A 1.452(8) . ?
C8A C9A 1.397(9) . ?
C9A C10A 1.360(9) . ?
C10A C11A 1.404(9) . ?
C11A C12A 1.375(9) . ?
C11A C14A 1.519(9) . ?
N1B C1B 1.358(9) . ?
N1B C7B 1.373(8) . ?
N1B C13B 1.486(8) . ?
N2B C7B 1.351(8) . ?
N2B C6B 1.376(8) . ?
N3B C12B 1.349(8) . ?
N3B C8B 1.365(8) . ?
C1B C2B 1.372(10) . ?
C1B C6B 1.417(8) . ?
C2B C3B 1.365(11) . ?
C3B C4B 1.390(10) . ?
C4B C5B 1.392(10) . ?
C5B C6B 1.380(10) . ?
C7B C8B 1.443(10) . ?
C8B C9B 1.367(9) . ?
C9B C10B 1.397(10) . ?
C10B C11B 1.384(9) . ?
C11B C12B 1.393(9) . ?
C11B C14B 1.475(10) . ?
N1C C7C 1.355(8) . ?
N1C C1C 1.364(8) . ?
N1C C13C 1.470(7) . ?
N2C C7C 1.352(7) . ?
N2C C6C 1.374(8) . ?
N3C C12C 1.348(8) . ?
N3C C8C 1.407(8) . ?
C1C C2C 1.392(9) . ?
C1C C6C 1.413(9) . ?
C2C C3C 1.390(9) . ?
C3C C4C 1.395(10) . ?
C4C C5C 1.386(9) . ?
C5C C6C 1.390(9) . ?
C7C C8C 1.432(9) . ?
C8C C9C 1.366(9) . ?
C9C C10C 1.367(9) . ?
C10C C11C 1.410(9) . ?
C11C C12C 1.388(8) . ?
C11C C14C 1.490(9) . ?
P1D F2D 1.563(5) . ?
P1D F1D 1.577(5) . ?
P1D F3D 1.579(5) . ?
P1D F5D 1.582(5) . ?
P1D F4D 1.583(5) . ?
P1D F6D 1.602(5) . ?
P1E F5E 1.579(5) . ?
P1E F2E 1.584(5) . ?
P1E F4E 1.587(5) . ?
P1E F6E 1.596(4) . ?
P1E F1E 1.600(4) . ?
P1E F3E 1.609(4) . ?
