#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:00:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179088 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305052.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_4305052
loop_
_publ_author_name
'Ricardo Cerón-Camacho'
'David Morales-Morales'
'Simon Hernández'
'Ronan Le Lagadec'
'Alexander D. Ryabov'
_publ_contact_author_address
;     Instituto de Química
      Universidad Nacional Autónoma de México
      Circuito Exterior, CU
      México, D.F. 04510
      México
;
_publ_contact_author_email       simonho@servidor.unam.mx
_publ_contact_author_fax         '+(5255) 56162215'
_publ_contact_author_name        'Hernández-Ortega, Simon'
_publ_contact_author_phone       '+(5255) 56162203'
_publ_section_title
;
Easy Access to Bio-Inspired Osmium(II) Complexes through Electrophilic
Intramolecular C(sp2)-H Bond Cyclometalation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4988
_journal_page_last               4995
_journal_paper_doi               10.1021/ic800251t
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C27 H22  N5 Os, C3 H6 O, F6 P'
_chemical_formula_sum            'C30 H28 F6 N5 O Os P'
_chemical_formula_weight         809.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.997(2)
_cell_angle_beta                 90.836(1)
_cell_angle_gamma                100.940(1)
_cell_formula_units_Z            2
_cell_length_a                   9.953(2)
_cell_length_b                   12.027(1)
_cell_length_c                   14.399(2)
_cell_measurement_reflns_used    7140
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.27
_cell_measurement_theta_min      2.45
_cell_volume                     1652.7(4)
_computing_cell_refinement       'SMART V 5.625 (Bruker, 1999)'
_computing_data_collection       'SMART V 5.625 (Bruker, 1999)'
_computing_data_reduction        'SAINT V 7.34A (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL V 6.14 (Sheldrick, 2006)'
_computing_publication_material  'SHELXTL V 6.14 (Sheldrick, 2006)'
_computing_structure_refinement  'SHELXTL V 6.14 (Sheldrick, 2006)'
_computing_structure_solution    'SHELXTL V 6.14 (Sheldrick, 2006)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart APEX AXS CCD area detector'
_diffrn_measurement_method       '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  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13233
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    3.970
_exptl_absorpt_correction_T_max  0.7047
_exptl_absorpt_correction_T_min  0.4133
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'SHELXTL V 6.14 (Sheldrick, 2006)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.897
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         5798
_refine_ls_number_restraints     404
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0310P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0704
_reflns_number_gt                4598
_reflns_number_total             5798
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800251t-file002_2.cif
_cod_data_source_block           COMPOUND_3B
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Analytical' changed
to 'analytical' 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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'No' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4305052
#BEGIN Tags that were not found in dictionaries:
_solved_by                       'Simon Hernandez-Ortega'
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os 0.02703(2) 0.66217(2) 0.234607(16) 0.04508(10) Uani 1 1 d . . .
N1 N -0.0807(5) 0.6321(4) 0.3568(3) 0.0467(12) Uani 1 1 d . . .
C2 C -0.2152(6) 0.6059(5) 0.3672(4) 0.0559(16) Uani 1 1 d . . .
H2 H -0.2749 0.5946 0.3143 0.067 Uiso 1 1 calc R . .
C3 C -0.2697(7) 0.5947(6) 0.4540(5) 0.0678(19) Uani 1 1 d . . .
H3 H -0.3642 0.5767 0.4583 0.081 Uiso 1 1 calc R . .
C4 C -0.1855(8) 0.6100(5) 0.5319(5) 0.0657(19) Uani 1 1 d . . .
H4 H -0.2219 0.6030 0.5901 0.079 Uiso 1 1 calc R . .
C5 C -0.0436(7) 0.6364(5) 0.5251(4) 0.0566(16) Uani 1 1 d . . .
C6 C 0.0549(9) 0.6533(6) 0.6027(4) 0.069(2) Uani 1 1 d . . .
H6 H 0.0250 0.6489 0.6630 0.083 Uiso 1 1 calc R . .
C7 C 0.1888(9) 0.6750(6) 0.5897(5) 0.071(2) Uani 1 1 d . . .
H7 H 0.2504 0.6850 0.6413 0.085 Uiso 1 1 calc R . .
C8 C 0.2405(7) 0.6835(5) 0.4991(4) 0.0582(17) Uani 1 1 d . . .
C9 C 0.3802(8) 0.7031(6) 0.4805(5) 0.074(2) Uani 1 1 d . . .
H9 H 0.4466 0.7133 0.5292 0.089 Uiso 1 1 calc R . .
C10 C 0.4169(7) 0.7071(6) 0.3913(5) 0.075(2) Uani 1 1 d . . .
H10 H 0.5094 0.7200 0.3789 0.089 Uiso 1 1 calc R . .
C11 C 0.3189(6) 0.6921(6) 0.3176(5) 0.0638(18) Uani 1 1 d . . .
H11 H 0.3476 0.6947 0.2568 0.077 Uiso 1 1 calc R . .
N12 N 0.1848(5) 0.6742(4) 0.3316(3) 0.0477(12) Uani 1 1 d . . .
C13 C 0.1473(6) 0.6690(5) 0.4224(4) 0.0478(14) Uani 1 1 d . . .
C14 C 0.0029(6) 0.6454(5) 0.4356(4) 0.0465(14) Uani 1 1 d . . .
N15 N 0.0517(5) 0.8389(4) 0.2720(3) 0.0503(12) Uani 1 1 d . . .
C16 C 0.1407(7) 0.9020(6) 0.2206(4) 0.0593(17) Uani 1 1 d . . .
C17 C 0.1698(8) 1.0208(6) 0.2452(5) 0.085(2) Uani 1 1 d . . .
H17 H 0.2303 1.0620 0.2100 0.103 Uiso 1 1 calc R . .
C18 C 0.1114(10) 1.0799(7) 0.3206(6) 0.102(3) Uani 1 1 d . . .
H18 H 0.1338 1.1604 0.3382 0.123 Uiso 1 1 calc R . .
C19 C 0.0185(9) 1.0171(6) 0.3700(6) 0.093(3) Uani 1 1 d . . .
H19 H -0.0262 1.0547 0.4197 0.111 Uiso 1 1 calc R . .
C20 C -0.0066(7) 0.8981(6) 0.3445(5) 0.0656(18) Uani 1 1 d . . .
H20 H -0.0673 0.8565 0.3793 0.079 Uiso 1 1 calc R . .
C21 C 0.1523(6) 0.7086(5) 0.1324(4) 0.0474(14) Uani 1 1 d . . .
C22 C 0.1967(6) 0.8292(6) 0.1430(4) 0.0544(16) Uani 1 1 d . . .
C23 C 0.2901(7) 0.8759(7) 0.0810(5) 0.075(2) Uani 1 1 d . . .
H23 H 0.3185 0.9557 0.0891 0.090 Uiso 1 1 calc R . .
C24 C 0.3379(7) 0.8028(8) 0.0093(5) 0.077(2) Uani 1 1 d . . .
H24 H 0.4001 0.8330 -0.0310 0.093 Uiso 1 1 calc R . .
C25 C 0.2950(7) 0.6859(7) -0.0038(5) 0.073(2) Uani 1 1 d . . .
H25 H 0.3271 0.6370 -0.0536 0.088 Uiso 1 1 calc R . .
C26 C 0.2043(6) 0.6393(6) 0.0563(4) 0.0617(17) Uani 1 1 d . . .
H26 H 0.1768 0.5592 0.0459 0.074 Uiso 1 1 calc R . .
N27 N -0.1437(5) 0.6516(4) 0.1550(3) 0.0552(13) Uani 1 1 d . . .
C28 C -0.2445(7) 0.6451(6) 0.1144(5) 0.0656(18) Uani 1 1 d . . .
C29 C -0.3757(8) 0.6360(8) 0.0647(6) 0.109(3) Uani 1 1 d . . .
H29A H -0.4483 0.6027 0.0997 0.163 Uiso 1 1 calc R . .
H29B H -0.3780 0.5876 0.0024 0.163 Uiso 1 1 calc R . .
H29C H -0.3875 0.7118 0.0591 0.163 Uiso 1 1 calc R . .
N30 N 0.0178(5) 0.4920(5) 0.1845(3) 0.0488(12) Uani 1 1 d . . .
C31 C 0.0181(7) 0.3977(6) 0.1502(5) 0.0605(17) Uani 1 1 d . . .
C32 C 0.0175(8) 0.2782(6) 0.1053(5) 0.088(2) Uani 1 1 d . . .
H32A H -0.0057 0.2301 0.1505 0.132 Uiso 1 1 calc R . .
H32B H 0.1068 0.2713 0.0833 0.132 Uiso 1 1 calc R . .
H32C H -0.0488 0.2539 0.0524 0.132 Uiso 1 1 calc R . .
P P 0.56537(18) 0.65446(17) 0.76393(12) 0.0703(5) Uani 1 1 d DU . .
F1 F 0.4058(5) 0.6354(8) 0.7729(5) 0.113(2) Uani 0.643(8) 1 d PDU A 1
F2 F 0.5553(9) 0.7429(6) 0.6968(5) 0.114(2) Uani 0.643(8) 1 d PDU A 1
F3 F 0.5865(8) 0.7603(6) 0.8531(4) 0.121(2) Uani 0.643(8) 1 d PDU A 1
F4 F 0.7264(4) 0.6796(8) 0.7531(4) 0.0914(19) Uani 0.643(8) 1 d PDU A 1
F5 F 0.5786(10) 0.5711(6) 0.8308(5) 0.134(2) Uani 0.643(8) 1 d PDU A 1
F6 F 0.5479(8) 0.5541(6) 0.6736(4) 0.116(2) Uani 0.643(8) 1 d PDU A 1
F1A F 0.6990(9) 0.6023(12) 0.7560(8) 0.100(2) Uani 0.357(8) 1 d PDU A 2
F2A F 0.4917(14) 0.5525(8) 0.8105(8) 0.112(3) Uani 0.357(8) 1 d PDU A 2
F3A F 0.5121(11) 0.5776(10) 0.6614(5) 0.097(3) Uani 0.357(8) 1 d PDU A 2
F4A F 0.4282(9) 0.7035(12) 0.7699(8) 0.100(3) Uani 0.357(8) 1 d PDU A 2
F5A F 0.6344(14) 0.7532(8) 0.7138(8) 0.108(3) Uani 0.357(8) 1 d PDU A 2
F6A F 0.6163(12) 0.7297(10) 0.8646(5) 0.109(3) Uani 0.357(8) 1 d PDU A 2
O1 O 0.6432(15) 0.8497(14) 0.2589(11) 0.231(7) Uiso 0.692(12) 1 d PDU B 1
C33 C 0.572(3) 1.0281(18) 0.3041(19) 0.300(11) Uiso 0.692(12) 1 d PDU B 1
H33A H 0.5229 0.9907 0.3499 0.450 Uiso 0.692(12) 1 calc PR B 1
H33B H 0.5080 1.0534 0.2662 0.450 Uiso 0.692(12) 1 calc PR B 1
H33C H 0.6381 1.0938 0.3366 0.450 Uiso 0.692(12) 1 calc PR B 1
C34 C 0.640(3) 0.9471(17) 0.2432(14) 0.232(9) Uiso 0.692(12) 1 d PDU B 1
C35 C 0.7231(19) 0.9830(17) 0.1686(13) 0.215(9) Uiso 0.692(12) 1 d PDU B 1
H35A H 0.7624 0.9196 0.1363 0.323 Uiso 0.692(12) 1 calc PR B 1
H35B H 0.7951 1.0473 0.1961 0.323 Uiso 0.692(12) 1 calc PR B 1
H35C H 0.6668 1.0059 0.1242 0.323 Uiso 0.692(12) 1 calc PR B 1
O1B O 0.643(3) 0.973(4) 0.422(3) 0.33(2) Uiso 0.308(12) 1 d PDU B 2
C33B C 0.434(3) 1.015(5) 0.376(4) 0.34(2) Uiso 0.308(12) 1 d PDU B 2
H33D H 0.4111 1.0082 0.4394 0.517 Uiso 0.308(12) 1 calc PR B 2
H33E H 0.3678 0.9609 0.3311 0.517 Uiso 0.308(12) 1 calc PR B 2
H33F H 0.4319 1.0926 0.3689 0.517 Uiso 0.308(12) 1 calc PR B 2
C34B C 0.569(3) 0.991(4) 0.359(3) 0.293(15) Uiso 0.308(12) 1 d PDU B 2
C35B C 0.633(6) 1.007(7) 0.271(4) 0.277(13) Uiso 0.308(12) 1 d PDU B 2
H35D H 0.7256 0.9959 0.2742 0.416 Uiso 0.308(12) 1 calc PR B 2
H35E H 0.6326 1.0845 0.2632 0.416 Uiso 0.308(12) 1 calc PR B 2
H35F H 0.5825 0.9523 0.2184 0.416 Uiso 0.308(12) 1 calc PR B 2
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'
O O 0.0106 0.0060 '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
N27 Os N30 89.22(19) . . ?
N27 Os C21 93.0(2) . . ?
N30 Os C21 93.2(2) . . ?
N27 Os N15 91.07(19) . . ?
N30 Os N15 172.86(18) . . ?
C21 Os N15 79.6(2) . . ?
N27 Os N12 172.14(19) . . ?
N30 Os N12 92.78(18) . . ?
C21 Os N12 94.5(2) . . ?
N15 Os N12 87.90(18) . . ?
N27 Os N1 94.10(19) . . ?
N30 Os N1 92.24(18) . . ?
C21 Os N1 171.1(2) . . ?
N15 Os N1 94.85(17) . . ?
N12 Os N1 78.24(18) . . ?
C2 N1 C14 116.7(5) . . ?
C2 N1 Os 129.7(4) . . ?
C14 N1 Os 113.5(4) . . ?
N1 C2 C3 122.6(6) . . ?
N1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
C4 C3 C2 120.1(6) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 119.8(6) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C14 C5 C4 116.7(6) . . ?
C14 C5 C6 118.8(6) . . ?
C4 C5 C6 124.5(6) . . ?
C7 C6 C5 120.9(6) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C6 C7 C8 122.0(6) . . ?
C6 C7 H7 119.0 . . ?
C8 C7 H7 119.0 . . ?
C13 C8 C9 116.9(6) . . ?
C13 C8 C7 118.5(6) . . ?
C9 C8 C7 124.6(6) . . ?
C10 C9 C8 119.3(6) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C10 C11 121.1(7) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
N12 C11 C10 122.0(6) . . ?
N12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 N12 C13 116.9(5) . . ?
C11 N12 Os 127.5(4) . . ?
C13 N12 Os 115.5(4) . . ?
N12 C13 C8 123.8(6) . . ?
N12 C13 C14 116.3(5) . . ?
C8 C13 C14 119.9(5) . . ?
N1 C14 C5 124.1(6) . . ?
N1 C14 C13 116.0(5) . . ?
C5 C14 C13 119.9(6) . . ?
C20 N15 C16 117.6(5) . . ?
C20 N15 Os 125.5(4) . . ?
C16 N15 Os 116.8(4) . . ?
C17 C16 N15 120.4(6) . . ?
C17 C16 C22 126.5(6) . . ?
N15 C16 C22 113.0(5) . . ?
C18 C17 C16 121.2(7) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C19 118.4(7) . . ?
C17 C18 H18 120.8 . . ?
C19 C18 H18 120.8 . . ?
C20 C19 C18 118.8(7) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
N15 C20 C19 123.4(6) . . ?
N15 C20 H20 118.3 . . ?
C19 C20 H20 118.3 . . ?
C26 C21 C22 115.7(5) . . ?
C26 C21 Os 130.0(5) . . ?
C22 C21 Os 114.2(4) . . ?
C21 C22 C23 121.4(6) . . ?
C21 C22 C16 116.1(5) . . ?
C23 C22 C16 122.5(6) . . ?
C24 C23 C22 119.5(7) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C25 C24 C23 120.5(7) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 120.6(7) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C25 C26 C21 122.3(7) . . ?
C25 C26 H26 118.9 . . ?
C21 C26 H26 118.9 . . ?
C28 N27 Os 176.1(5) . . ?
N27 C28 C29 178.3(8) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 N30 Os 174.6(5) . . ?
N30 C31 C32 179.1(7) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
F1 P F3 90.3(3) . . ?
F1 P F2 89.8(3) . . ?
F3 P F2 88.9(3) . . ?
F3 P F4 88.8(3) . . ?
F4 P F2 87.4(3) . . ?
F1 P F4 177.1(4) . . ?
F5 P F2 178.3(4) . . ?
F5 P F1 91.3(3) . . ?
F5 P F4 91.4(3) . . ?
F5 P F6 92.2(4) . . ?
F5 P F3 89.9(3) . . ?
F6 P F3 177.5(4) . . ?
F6 P F4 89.8(3) . . ?
F6 P F1 91.1(3) . . ?
F6 P F2 89.0(3) . . ?
F6A P F5A 92.0(4) . . ?
F6A P F1A 91.0(4) . . ?
F5A P F1A 90.4(4) . . ?
F6A P F2A 90.3(4) . . ?
F5A P F2A 177.6(5) . . ?
F1A P F2A 90.4(4) . . ?
F6A P F4A 90.5(4) . . ?
F5A P F4A 90.4(4) . . ?
F1A P F4A 178.2(5) . . ?
F2A P F4A 88.8(4) . . ?
F6A P F3A 179.5(5) . . ?
F5A P F3A 88.2(4) . . ?
F1A P F3A 89.4(4) . . ?
F2A P F3A 89.5(4) . . ?
F4A P F3A 89.1(4) . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O1 C34 C33 121.80(16) . . ?
O1 C34 C35 117.3(16) . . ?
C33 C34 C35 120.4(16) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34B C33B H33D 109.5 . . ?
C34B C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
C34B C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
O1B C34B C35B 117.1(19) . . ?
O1B C34B C33B 121.83(16) . . ?
C35B C34B C33B 120.2(17) . . ?
C34B C35B H35D 109.5 . . ?
C34B C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C34B C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
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
Os N27 2.005(5) . ?
Os N30 2.008(5) . ?
Os C21 2.040(5) . ?
Os N15 2.048(5) . ?
Os N12 2.050(5) . ?
Os N1 2.134(4) . ?
N1 C2 1.333(7) . ?
N1 C14 1.361(7) . ?
C2 C3 1.391(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.351(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(9) . ?
C4 H4 0.9300 . ?
C5 C14 1.394(8) . ?
C5 C6 1.432(9) . ?
C6 C7 1.332(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.426(9) . ?
C7 H7 0.9300 . ?
C8 C13 1.392(8) . ?
C8 C9 1.404(9) . ?
C9 C10 1.348(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.391(9) . ?
C10 H10 0.9300 . ?
C11 N12 1.336(7) . ?
C11 H11 0.9300 . ?
N12 C13 1.377(7) . ?
C13 C14 1.434(8) . ?
N15 C20 1.341(7) . ?
N15 C16 1.381(7) . ?
C16 C17 1.371(9) . ?
C16 C22 1.457(8) . ?
C17 C18 1.370(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.382(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.374(9) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C26 1.401(8) . ?
C21 C22 1.410(8) . ?
C22 C23 1.417(8) . ?
C23 C24 1.364(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.361(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.383(8) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
N27 C28 1.135(7) . ?
C28 C29 1.455(9) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
N30 C31 1.140(7) . ?
C31 C32 1.447(9) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
P F5 1.549(5) . ?
P F6A 1.561(6) . ?
P F6 1.562(5) . ?
P F5A 1.570(6) . ?
P F1A 1.570(6) . ?
P F1 1.572(5) . ?
P F2A 1.583(6) . ?
P F4A 1.583(6) . ?
P F3 1.589(5) . ?
P F4 1.590(4) . ?
P F3A 1.593(6) . ?
P F2 1.594(5) . ?
O1 C34 1.2433(11) . ?
C33 C34 1.4501(11) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.4502(12) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
O1B C34B 1.2431(11) . ?
C33B C34B 1.4501(12) . ?
C33B H33D 0.9600 . ?
C33B H33E 0.9600 . ?
C33B H33F 0.9600 . ?
C34B C35B 1.4502(12) . ?
C35B H35D 0.9600 . ?
C35B H35E 0.9600 . ?
C35B H35F 0.9600 . ?
