#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/78/4307849.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_4307849
loop_
_publ_author_name
'Anna F. A. Peacock'
'Abraha Habtemariam'
'Stephen A. Moggach'
'Alessandro Prescimone'
'Simon Parsons'
'Peter J. Sadler'
_publ_section_title
;
Chloro Half-Sandwich Osmium(II) Complexes: Influence of Chelated
N,N-Ligands on Hydrolysis, Guanine Binding, and Cytotoxicity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4049
_journal_page_last               4059
_journal_paper_doi               10.1021/ic062350d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C30 H20 Cl1 F6 N4 Os1 P1'
_chemical_formula_sum            'C30 H20 Cl F6 N4 Os P'
_chemical_formula_weight         807.13
_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
_audit_creation_date             06-05-08
_audit_creation_method           CRYSTALS_ver_12.80
_cell_angle_alpha                90
_cell_angle_beta                 102.952(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8153(12)
_cell_length_b                   8.7125(9)
_cell_length_c                   26.175(3)
_cell_measurement_reflns_used    7809
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      3
_cell_volume                     2625.9(5)
_computing_cell_refinement       'SAINT (Siemens ,1995)'
_computing_data_collection       'SMART (Siemens, 1993)'
_computing_data_reduction        'SAINT (Siemens ,1995)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'DIRDIF-96 (Beurskens et al., 1996)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4749
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.240
_diffrn_reflns_theta_min         1.597
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.093
_exptl_absorpt_correction_T_max  0.52
_exptl_absorpt_correction_T_min  0.44
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_description       lath
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.07
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0562
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         4765
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.000482
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 SQRT(W) = 1/(SIGMA(/FO/**2) 
;
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0452
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0452
_reflns_limit_h_max              13
_reflns_limit_h_min              -14
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              31
_reflns_limit_l_min              0
_reflns_number_gt                4168
_reflns_number_total             4423
_reflns_threshold_expression     I>2.00u(I)
_oxford_diffrn_Wilson_B_factor   1.42
_oxford_diffrn_Wilson_scale      22.07
_oxford_refine_ls_scale          0.7044(7)
_oxford_structure_analysis_title
'XYZN file = SHELXL INS file, from DIRDIF out'
_cod_data_source_file            ic062350d-file007.cif
_cod_data_source_block           CRYSTALS_cif
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2626.0(5)
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        'C30 H20 Cl1 F6 N4 Os1 P1'
_cod_database_code               4307849
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Os1 Os 0.21907(3) 0.21279(3) 0.422440(10) 0.0193 1.0000 Uani . . . . . .
Cl1 Cl 0.20692(19) 0.47688(15) 0.39626(5) 0.0255 1.0000 Uani . . . . . .
C11 C 0.2950(7) 0.0988(9) 0.3623(3) 0.0225 1.0000 Uani . . . . . .
C21 C 0.3216(7) 0.0127(8) 0.4096(3) 0.0287 1.0000 Uani . . . . . .
C31 C 0.2276(8) -0.0376(6) 0.4317(2) 0.0279 1.0000 Uani . . . . . .
C41 C 0.1138(7) 0.0107(8) 0.4089(3) 0.0249 1.0000 Uani . . . . . .
C51 C 0.0874(7) 0.1009(10) 0.3627(3) 0.0224 1.0000 Uani . . . . . .
C61 C 0.1801(7) 0.1390(6) 0.3376(2) 0.0282 1.0000 Uani . . . . . .
C71 C 0.1556(6) 0.2289(7) 0.28701(18) 0.0238 1.0000 Uani . . . . . .
C81 C 0.0573(6) 0.1822(7) 0.2496(2) 0.0296 1.0000 Uani . . . . . .
C91 C 0.0398(6) 0.2466(7) 0.1996(2) 0.0321 1.0000 Uani . . . . . .
C101 C 0.1182(7) 0.3506(7) 0.1873(2) 0.0284 1.0000 Uani . . . . . .
C111 C 0.2108(7) 0.3955(8) 0.2253(3) 0.0343 1.0000 Uani . . . . . .
C121 C 0.2301(6) 0.3360(8) 0.2748(3) 0.0295 1.0000 Uani . . . . . .
N12 N 0.1288(4) 0.2836(7) 0.47969(19) 0.0226 1.0000 Uani . . . . . .
C22 C 0.0148(5) 0.2746(8) 0.4766(2) 0.0224 1.0000 Uani . . . . . .
C32 C -0.0363(6) 0.3200(7) 0.5175(3) 0.0300 1.0000 Uani . . . . . .
C42 C 0.0299(8) 0.3781(6) 0.5625(2) 0.0222 1.0000 Uani . . . . . .
C52 C 0.1502(6) 0.3907(8) 0.5664(3) 0.0156 1.0000 Uani . . . . . .
C62 C 0.1964(6) 0.3375(7) 0.5243(3) 0.0225 1.0000 Uani . . . . . .
N72 N 0.3512(4) 0.2870(7) 0.48356(19) 0.0224 1.0000 Uani . . . . . .
C82 C 0.4668(6) 0.2850(8) 0.4842(2) 0.0276 1.0000 Uani . . . . . .
C92 C 0.5493(5) 0.3293(6) 0.5280(3) 0.0206 1.0000 Uani . . . . . .
C102 C 0.5126(7) 0.3805(6) 0.5713(2) 0.0184 1.0000 Uani . . . . . .
C112 C 0.3986(7) 0.3904(8) 0.5716(3) 0.0223 1.0000 Uani . . . . . .
C122 C 0.3185(6) 0.3404(7) 0.5270(3) 0.0206 1.0000 Uani . . . . . .
C132 C 0.2315(7) 0.4544(8) 0.6125(3) 0.0217 1.0000 Uani . . . . . .
C142 C 0.3527(6) 0.4480(8) 0.6160(3) 0.0200 1.0000 Uani . . . . . .
N152 N 0.1823(5) 0.5157(6) 0.6500(2) 0.0209 1.0000 Uani . . . . . .
N162 N 0.4259(5) 0.4968(6) 0.6585(2) 0.0287 1.0000 Uani . . . . . .
C172 C 0.2580(6) 0.5684(7) 0.6930(3) 0.0233 1.0000 Uani . . . . . .
C182 C 0.2140(8) 0.6402(8) 0.7340(3) 0.0359 1.0000 Uani . . . . . .
C192 C 0.2881(7) 0.6943(8) 0.7767(3) 0.0404 1.0000 Uani . . . . . .
C202 C 0.4075(9) 0.6764(7) 0.7820(3) 0.0415 1.0000 Uani . . . . . .
C212 C 0.4549(7) 0.6100(9) 0.7440(3) 0.0347 1.0000 Uani . . . . . .
C222 C 0.3790(6) 0.5580(7) 0.6978(2) 0.0284 1.0000 Uani . . . . . .
P1 P 0.3039(2) 0.92945(16) 0.58908(6) 0.0250 1.0000 Uani . . . . . .
F1 F 0.3193(5) 1.0851(4) 0.62141(12) 0.0401 1.0000 Uani . . . . . .
F2 F 0.3790(4) 0.9958(5) 0.54992(17) 0.0332 1.0000 Uani . . . . . .
F3 F 0.1884(4) 0.9984(5) 0.55213(17) 0.0317 1.0000 Uani . . . . . .
F4 F 0.2855(4) 0.7731(4) 0.55607(11) 0.0326 1.0000 Uani . . . . . .
F5 F 0.2264(5) 0.8641(6) 0.6267(2) 0.0431 1.0000 Uani . . . . . .
F6 F 0.4174(4) 0.8585(5) 0.6261(2) 0.0390 1.0000 Uani . . . . . .
H111 H 0.3599 0.1322 0.3460 0.0274 1.0000 Uiso . . . . . .
H211 H 0.4039 -0.0121 0.4270 0.0333 1.0000 Uiso . . . . . .
H311 H 0.2426 -0.1066 0.4630 0.0295 1.0000 Uiso . . . . . .
H411 H 0.0494 -0.0196 0.4259 0.0298 1.0000 Uiso . . . . . .
H511 H 0.0063 0.1372 0.3481 0.0263 1.0000 Uiso . . . . . .
H811 H 0.0016 0.1056 0.2584 0.0376 1.0000 Uiso . . . . . .
H911 H -0.0305 0.2171 0.1722 0.0371 1.0000 Uiso . . . . . .
H1011 H 0.1071 0.3921 0.1509 0.0346 1.0000 Uiso . . . . . .
H1111 H 0.2657 0.4738 0.2169 0.0416 1.0000 Uiso . . . . . .
H1211 H 0.2988 0.3706 0.3021 0.0353 1.0000 Uiso . . . . . .
H221 H -0.0363 0.2337 0.4437 0.0255 1.0000 Uiso . . . . . .
H321 H -0.1221 0.3096 0.5135 0.0352 1.0000 Uiso . . . . . .
H421 H -0.0056 0.4108 0.5921 0.0259 1.0000 Uiso . . . . . .
H821 H 0.4927 0.2503 0.4522 0.0329 1.0000 Uiso . . . . . .
H921 H 0.6339 0.3243 0.5283 0.0244 1.0000 Uiso . . . . . .
H1021 H 0.5715 0.4114 0.6034 0.0226 1.0000 Uiso . . . . . .
H1821 H 0.1283 0.6496 0.7308 0.0420 1.0000 Uiso . . . . . .
H1921 H 0.2576 0.7475 0.8047 0.0496 1.0000 Uiso . . . . . .
H2021 H 0.4608 0.7135 0.8149 0.0473 1.0000 Uiso . . . . . .
H2121 H 0.5409 0.5992 0.7490 0.0419 1.0000 Uiso . . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Os -1.2165 7.6030 28.1894 1.6290 16.1550 8.9795 14.9305 0.3827 5.6759 48.1647
11.0005 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 . Os1 . C11 . 103.6(2) yes
Cl1 . Os1 . C21 . 136.0(2) yes
C11 . Os1 . C21 . 37.6(3) yes
Cl1 . Os1 . C31 . 169.88(16) yes
C11 . Os1 . C31 . 67.5(3) yes
C21 . Os1 . C31 . 38.1(3) yes
Cl1 . Os1 . C41 . 138.4(2) yes
C11 . Os1 . C41 . 80.0(3) yes
C21 . Os1 . C41 . 69.0(2) yes
C31 . Os1 . C41 . 37.9(3) yes
Cl1 . Os1 . C51 . 103.8(2) yes
C11 . Os1 . C51 . 68.1(2) yes
C21 . Os1 . C51 . 82.2(3) yes
C31 . Os1 . C51 . 69.0(3) yes
C41 . Os1 . C51 . 38.3(3) yes
Cl1 . Os1 . C61 . 90.36(14) yes
C11 . Os1 . C61 . 36.8(3) yes
C21 . Os1 . C61 . 67.7(3) yes
C31 . Os1 . C61 . 79.6(2) yes
C41 . Os1 . C61 . 67.6(3) yes
Cl1 . Os1 . N12 . 85.14(17) yes
C11 . Os1 . N12 . 169.4(3) yes
C21 . Os1 . N12 . 136.4(3) yes
C31 . Os1 . N12 . 103.3(3) yes
C41 . Os1 . N12 . 89.5(3) yes
Cl1 . Os1 . N72 . 84.69(17) yes
C11 . Os1 . N72 . 109.5(2) yes
C21 . Os1 . N72 . 91.2(3) yes
C31 . Os1 . N72 . 102.5(2) yes
C41 . Os1 . N72 . 134.0(3) yes
C51 . Os1 . C61 . 37.8(3) yes
C51 . Os1 . N12 . 104.3(3) yes
C61 . Os1 . N12 . 139.0(3) yes
C51 . Os1 . N72 . 171.5(3) yes
C61 . Os1 . N72 . 143.2(3) yes
N12 . Os1 . N72 . 76.98(16) yes
Os1 . C11 . C21 . 70.3(4) yes
Os1 . C11 . C61 . 73.2(4) yes
C21 . C11 . C61 . 122.1(7) yes
Os1 . C11 . H111 . 130.1 no
C21 . C11 . H111 . 118.9 no
C61 . C11 . H111 . 119.0 no
Os1 . C21 . C11 . 72.1(4) yes
Os1 . C21 . C31 . 71.1(4) yes
C11 . C21 . C31 . 118.3(7) yes
Os1 . C21 . H211 . 128.0 no
C11 . C21 . H211 . 120.9 no
C31 . C21 . H211 . 120.8 no
Os1 . C31 . C21 . 70.8(4) yes
Os1 . C31 . C41 . 68.9(4) yes
C21 . C31 . C41 . 119.4(5) yes
Os1 . C31 . H311 . 133.1 no
C21 . C31 . H311 . 120.3 no
C41 . C31 . H311 . 120.3 no
Os1 . C41 . C31 . 73.2(4) yes
Os1 . C41 . C51 . 72.2(4) yes
C31 . C41 . C51 . 122.3(7) yes
Os1 . C41 . H411 . 128.0 no
C31 . C41 . H411 . 118.8 no
C51 . C41 . H411 . 118.8 no
Os1 . C51 . C41 . 69.5(4) yes
Os1 . C51 . C61 . 74.3(4) yes
C41 . C51 . C61 . 118.2(7) yes
Os1 . C51 . H511 . 127.2 no
C41 . C51 . H511 . 120.8 no
C61 . C51 . H511 . 120.9 no
Os1 . C61 . C51 . 68.0(4) yes
Os1 . C61 . C11 . 70.0(4) yes
C51 . C61 . C11 . 119.2(5) yes
Os1 . C61 . C71 . 132.2(4) yes
C51 . C61 . C71 . 120.4(7) yes
C11 . C61 . C71 . 120.3(7) yes
C61 . C71 . C81 . 115.4(6) yes
C61 . C71 . C121 . 123.5(6) yes
C81 . C71 . C121 . 120.7(6) yes
C71 . C81 . C91 . 117.7(6) yes
C71 . C81 . H811 . 121.2 no
C91 . C81 . H811 . 121.1 no
C81 . C91 . C101 . 121.0(6) yes
C81 . C91 . H911 . 119.5 no
C101 . C91 . H911 . 119.5 no
C91 . C101 . C111 . 119.2(6) yes
C91 . C101 . H1011 . 120.4 no
C111 . C101 . H1011 . 120.4 no
C101 . C111 . C121 . 121.4(7) yes
C101 . C111 . H1111 . 119.3 no
C121 . C111 . H1111 . 119.3 no
C71 . C121 . C111 . 120.0(7) yes
C71 . C121 . H1211 . 120.0 no
C111 . C121 . H1211 . 120.0 no
Os1 . N12 . C22 . 127.1(4) yes
Os1 . N12 . C62 . 114.9(4) yes
C22 . N12 . C62 . 118.0(6) yes
N12 . C22 . C32 . 122.8(6) yes
N12 . C22 . H221 . 118.6 no
C32 . C22 . H221 . 118.6 no
C22 . C32 . C42 . 120.4(7) yes
C22 . C32 . H321 . 119.8 no
C42 . C32 . H321 . 119.8 no
C32 . C42 . C52 . 117.9(7) yes
C32 . C42 . H421 . 121.2 no
C52 . C42 . H421 . 121.0 no
C42 . C52 . C62 . 118.6(6) yes
C42 . C52 . C132 . 123.5(6) yes
C62 . C52 . C132 . 117.9(7) yes
C52 . C62 . N12 . 122.3(7) yes
C52 . C62 . C122 . 121.2(7) yes
N12 . C62 . C122 . 116.5(7) yes
Os1 . N72 . C82 . 125.8(4) yes
Os1 . N72 . C122 . 116.4(4) yes
C82 . N72 . C122 . 117.8(6) yes
N72 . C82 . C92 . 121.6(6) yes
N72 . C82 . H821 . 119.2 no
C92 . C82 . H821 . 119.2 no
C82 . C92 . C102 . 118.7(6) yes
C82 . C92 . H921 . 120.7 no
C102 . C92 . H921 . 120.6 no
C92 . C102 . C112 . 121.5(6) yes
C92 . C102 . H1021 . 119.3 no
C112 . C102 . H1021 . 119.2 no
C102 . C112 . C122 . 117.8(7) yes
C102 . C112 . C142 . 124.6(7) yes
C122 . C112 . C142 . 117.6(7) yes
C62 . C122 . C112 . 122.3(7) yes
C62 . C122 . N72 . 115.2(7) yes
C112 . C122 . N72 . 122.5(7) yes
C52 . C132 . C142 . 120.2(7) yes
C52 . C132 . N152 . 115.7(7) yes
C142 . C132 . N152 . 124.0(7) yes
C112 . C142 . C132 . 120.5(7) yes
C112 . C142 . N162 . 119.2(7) yes
C132 . C142 . N162 . 120.3(7) yes
C132 . N152 . C172 . 115.2(6) yes
C142 . N162 . C222 . 117.2(6) yes
N152 . C172 . C182 . 119.2(6) yes
N152 . C172 . C222 . 121.3(6) yes
C182 . C172 . C222 . 119.5(7) yes
C172 . C182 . C192 . 119.8(8) yes
C172 . C182 . H1821 . 120.1 no
C192 . C182 . H1821 . 120.1 no
C182 . C192 . C202 . 120.1(7) yes
C182 . C192 . H1921 . 119.9 no
C202 . C192 . H1921 . 120.0 no
C192 . C202 . C212 . 122.7(7) yes
C192 . C202 . H2021 . 118.6 no
C212 . C202 . H2021 . 118.7 no
C202 . C212 . C222 . 118.2(7) yes
C202 . C212 . H2121 . 120.8 no
C222 . C212 . H2121 . 121.0 no
C172 . C222 . C212 . 119.5(7) yes
C172 . C222 . N162 . 121.9(6) yes
C212 . C222 . N162 . 118.6(7) yes
F1 . P1 . F2 . 91.1(2) yes
F1 . P1 . F3 . 88.9(2) yes
F2 . P1 . F3 . 89.86(19) yes
F1 . P1 . F4 . 178.8(3) yes
F2 . P1 . F4 . 89.4(2) yes
F3 . P1 . F4 . 89.9(2) yes
F1 . P1 . F5 . 89.3(3) yes
F2 . P1 . F5 . 178.4(3) yes
F3 . P1 . F5 . 88.7(3) yes
F4 . P1 . F5 . 90.1(2) yes
F1 . P1 . F6 . 91.6(3) yes
F2 . P1 . F6 . 91.0(3) yes
F3 . P1 . F6 . 179.0(3) yes
F4 . P1 . F6 . 89.5(2) yes
F5 . P1 . F6 . 90.5(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Os1 . Cl1 . 2.3958(14) yes
Os1 . C11 . 2.215(8) yes
Os1 . C21 . 2.192(7) yes
Os1 . C31 . 2.195(5) yes
Os1 . C41 . 2.139(7) yes
Os1 . C51 . 2.173(8) yes
Os1 . C61 . 2.257(5) yes
Os1 . N12 . 2.117(5) yes
Os1 . N72 . 2.073(5) yes
C11 . C21 . 1.421(12) yes
C11 . C61 . 1.411(12) yes
C11 . H111 . 1.001 no
C21 . C31 . 1.432(12) yes
C21 . H211 . 1.000 no
C31 . C41 . 1.408(11) yes
C31 . H311 . 0.999 no
C41 . C51 . 1.416(11) yes
C41 . H411 . 1.000 no
C51 . C61 . 1.437(11) yes
C51 . H511 . 1.000 no
C61 . C71 . 1.510(7) yes
C71 . C81 . 1.401(9) yes
C71 . C121 . 1.370(9) yes
C81 . C91 . 1.397(8) yes
C81 . H811 . 1.000 no
C91 . C101 . 1.385(9) yes
C91 . H911 . 1.001 no
C101 . C111 . 1.361(10) yes
C101 . H1011 . 1.000 no
C111 . C121 . 1.365(10) yes
C111 . H1111 . 1.000 no
C121 . H1211 . 0.999 no
N12 . C22 . 1.333(8) yes
N12 . C62 . 1.344(8) yes
C22 . C32 . 1.399(9) yes
C22 . H221 . 1.001 no
C32 . C42 . 1.359(9) yes
C32 . H321 . 1.000 no
C42 . C52 . 1.406(12) yes
C42 . H421 . 1.000 no
C52 . C62 . 1.412(10) yes
C52 . C132 . 1.472(9) yes
C62 . C122 . 1.429(8) yes
N72 . C82 . 1.362(8) yes
N72 . C122 . 1.362(8) yes
C82 . C92 . 1.384(8) yes
C82 . H821 . 1.000 no
C92 . C102 . 1.376(8) yes
C92 . H921 . 1.000 no
C102 . C112 . 1.350(11) yes
C102 . H1021 . 1.000 no
C112 . C122 . 1.397(10) yes
C112 . C142 . 1.477(10) yes
C132 . C142 . 1.415(9) yes
C132 . N152 . 1.357(9) yes
C142 . N162 . 1.318(8) yes
N152 . C172 . 1.353(8) yes
N162 . C222 . 1.379(8) yes
C172 . C182 . 1.436(10) yes
C172 . C222 . 1.410(10) yes
C182 . C192 . 1.340(10) yes
C182 . H1821 . 1.000 no
C192 . C202 . 1.395(12) yes
C192 . H1921 . 1.001 no
C202 . C212 . 1.375(11) yes
C202 . H2021 . 0.999 no
C212 . C222 . 1.409(10) yes
C212 . H2121 . 0.999 no
P1 . F1 . 1.587(3) yes
P1 . F2 . 1.606(4) yes
P1 . F3 . 1.602(5) yes
P1 . F4 . 1.602(3) yes
P1 . F5 . 1.593(5) yes
P1 . F6 . 1.592(5) yes
loop_
_oxford_twin_element_scale_factors
0.5512(6)
0.4488(6)
