#------------------------------------------------------------------------------
#$Date: 2020-11-05 10:56:28 +0200 (Thu, 05 Nov 2020) $
#$Revision: 258736 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/78/4307848.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_4307848
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_compound_source
;
?
;
_chemical_formula_moiety         'C25 H24 Cl F6 N4 Os P'
_chemical_formula_sum            'C25 H24 Cl F6 N4 Os P'
_chemical_formula_weight         751.10
_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
_audit_creation_date             05-17-09
_audit_creation_method           CRYSTALS_ver_12-03-99
_cell_angle_alpha                101.105(2)
_cell_angle_beta                 96.365(2)
_cell_angle_gamma                109.271(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1226(3)
_cell_length_b                   10.0165(4)
_cell_length_c                   17.3516(6)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    150
_cell_measurement_theta_max      289
_cell_measurement_theta_min      2
_cell_volume                     1284.28(9)
_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 (Watkin et al 2003) 
;
_computing_structure_refinement
; 
 CRYSTALS (Watkin et al 2003) 
;
_computing_structure_solution
; 
 SHELXS 86 (Sheldrick, 1986) 
;
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type
; 
Bruker SMART 
;
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6635
_diffrn_reflns_theta_full        25.476
_diffrn_reflns_theta_max         29.283
_diffrn_reflns_theta_min         1.218
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.198
_exptl_absorpt_correction_T_max  NaN
_exptl_absorpt_correction_T_min  NaN
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS (Siemens, 1996) 
;
_exptl_crystal_colour            ' dark green '
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_description       ' prism '
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.91
_refine_diff_density_min         -1.12
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9409
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6254
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.001374
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 p=P(6)*max(Fo²,0) + (1-P(6))Fc² 
 Method = SHELXL 97 (Sheldrick, 1997) 
 W = 1. / [Sigma²(F*)+(P(1)p)²+P(2)p+P(4)+P(5)Sin(theta) ] 
 P(i) are: 
 0.281E-01 0.00 0.00 0.00 0.00 0.333 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0769
_refine_ls_wR_factor_gt          0.0749
_refine_ls_wR_factor_ref         0.0769
_reflns_limit_h_max              10
_reflns_limit_h_min              -11
_reflns_limit_k_max              13
_reflns_limit_k_min              -13
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                5604
_reflns_number_total             6635
_reflns_threshold_expression     I>2.00u(I)
_cod_data_source_file            ic062350d-file006.cif
_cod_data_source_block           CRYSTALS_cif
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

2020-10-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         1502.21
_cod_original_formula_moiety         ' C50 H48 Cl2 F12 N8 Os2 P2 '
_cod_original_formula_units_Z            1
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C50 H48 Cl2 F12 N8 Os2 P2 '
_cod_database_code               4307848
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_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 0.61851(2) 0.525842(19) 0.265919(10) 0.0218 1.0000 Uani . . . . . .
Cl1 Cl 0.72504(14) 0.58235(12) 0.14838(6) 0.0267 1.0000 Uani . . . . . .
N11 N 0.3990(5) 0.3746(4) 0.1849(2) 0.0212 1.0000 Uani . . . . . .
N21 N 0.2651(5) 0.4113(4) 0.1630(2) 0.0246 1.0000 Uani . . . . . .
C31 C 0.2959(6) 0.5555(5) 0.1968(3) 0.0232 1.0000 Uani . . . . . .
N41 N 0.4551(5) 0.6384(4) 0.2438(2) 0.0213 1.0000 Uani . . . . . .
C51 C 0.4923(6) 0.7834(5) 0.2717(3) 0.0258 1.0000 Uani . . . . . .
C61 C 0.3696(7) 0.8458(5) 0.2564(3) 0.0282 1.0000 Uani . . . . . .
C71 C 0.2023(6) 0.7600(5) 0.2113(3) 0.0290 1.0000 Uani . . . . . .
C81 C 0.1647(6) 0.6127(5) 0.1812(3) 0.0279 1.0000 Uani . . . . . .
C91 C 0.3795(6) 0.2304(5) 0.1476(3) 0.0241 1.0000 Uani . . . . . .
C101 C 0.2134(6) 0.1272(5) 0.1084(3) 0.0281 1.0000 Uani . . . . . .
C111 C 0.1955(7) -0.0118(5) 0.0713(3) 0.0301 1.0000 Uani . . . . . .
C121 C 0.3459(6) -0.0558(5) 0.0732(3) 0.0263 1.0000 Uani . . . . . .
C131 C 0.5126(6) 0.0493(5) 0.1125(3) 0.0261 1.0000 Uani . . . . . .
C141 C 0.5293(6) 0.1889(5) 0.1488(3) 0.0249 1.0000 Uani . . . . . .
N151 N 0.3261(6) -0.1956(4) 0.0386(2) 0.0292 1.0000 Uani . . . . . .
C161 C 0.1579(8) -0.2975(5) -0.0094(3) 0.0386 1.0000 Uani . . . . . .
C171 C 0.4766(7) -0.2443(5) 0.0467(3) 0.0335 1.0000 Uani . . . . . .
C12 C 0.6262(6) 0.5888(5) 0.3965(2) 0.0245 1.0000 Uani . . . . . .
C22 C 0.7880(6) 0.6782(5) 0.3778(3) 0.0295 1.0000 Uani . . . . . .
C32 C 0.8897(7) 0.6144(8) 0.3351(3) 0.0453 1.0000 Uani . . . . . .
C42 C 0.8397(9) 0.4603(8) 0.3105(3) 0.0526 1.0000 Uani . . . . . .
C52 C 0.6833(9) 0.3726(6) 0.3291(3) 0.0458 1.0000 Uani . . . . . .
C62 C 0.5759(7) 0.4354(5) 0.3711(3) 0.0336 1.0000 Uani . . . . . .
C72 C 0.5133(7) 0.6568(5) 0.4385(3) 0.0286 1.0000 Uani . . . . . .
C82 C 0.3308(7) 0.5852(7) 0.4272(3) 0.0443 1.0000 Uani . . . . . .
C92 C 0.2299(10) 0.6492(12) 0.4693(4) 0.0743 1.0000 Uani . . . . . .
C102 C 0.3098(15) 0.7846(12) 0.5220(5) 0.0861 1.0000 Uani . . . . . .
C112 C 0.4860(15) 0.8536(8) 0.5334(4) 0.0709 1.0000 Uani . . . . . .
C122 C 0.5927(9) 0.7916(6) 0.4926(3) 0.0433 1.0000 Uani . . . . . .
P1 P 0.0018(2) 0.10708(14) 0.30451(10) 0.0409 1.0000 Uani . . . . . .
F1 F 0.0108(6) 0.2184(5) 0.2495(3) 0.0740 1.0000 Uani . . . . . .
F2 F -0.0083(7) -0.0024(5) 0.3595(3) 0.0862 1.0000 Uani . . . . . .
F3 F -0.2019(5) 0.0883(4) 0.3066(3) 0.0635 1.0000 Uani . . . . . .
F4 F 0.2048(5) 0.1275(4) 0.3025(3) 0.0689 1.0000 Uani . . . . . .
F5 F 0.0618(6) 0.2394(4) 0.3815(2) 0.0744 1.0000 Uani . . . . . .
F6 F -0.0578(6) -0.0235(4) 0.2282(3) 0.0778 1.0000 Uani . . . . . .
H511 H 0.6135 0.8458 0.3046 0.0329 1.0000 Uiso . . . . . .
H611 H 0.3999 0.9537 0.2780 0.0369 1.0000 Uiso . . . . . .
H711 H 0.1095 0.8044 0.2006 0.0397 1.0000 Uiso . . . . . .
H811 H 0.0437 0.5477 0.1476 0.0384 1.0000 Uiso . . . . . .
H1011 H 0.1055 0.1556 0.1079 0.0360 1.0000 Uiso . . . . . .
H1111 H 0.0748 -0.0833 0.0424 0.0376 1.0000 Uiso . . . . . .
H1311 H 0.6217 0.0219 0.1139 0.0338 1.0000 Uiso . . . . . .
H1411 H 0.6498 0.2624 0.1771 0.0326 1.0000 Uiso . . . . . .
H1611 H 0.1666 -0.3948 -0.0301 0.0446 1.0000 Uiso . . . . . .
H1612 H 0.0625 -0.3102 0.0243 0.0446 1.0000 Uiso . . . . . .
H1613 H 0.1219 -0.2601 -0.0557 0.0446 1.0000 Uiso . . . . . .
H1711 H 0.4400 -0.3493 0.0178 0.0458 1.0000 Uiso . . . . . .
H1712 H 0.5218 -0.2334 0.1049 0.0458 1.0000 Uiso . . . . . .
H1713 H 0.5759 -0.1841 0.0240 0.0458 1.0000 Uiso . . . . . .
H221 H 0.8277 0.7883 0.3957 0.0367 1.0000 Uiso . . . . . .
H321 H 1.0023 0.6793 0.3216 0.0564 1.0000 Uiso . . . . . .
H421 H 0.9159 0.4158 0.2802 0.0721 1.0000 Uiso . . . . . .
H521 H 0.6458 0.2629 0.3119 0.0637 1.0000 Uiso . . . . . .
H621 H 0.4614 0.3704 0.3832 0.0438 1.0000 Uiso . . . . . .
H821 H 0.2713 0.4860 0.3878 0.0590 1.0000 Uiso . . . . . .
H921 H 0.0976 0.5977 0.4613 0.1064 1.0000 Uiso . . . . . .
H1021 H 0.2337 0.8292 0.5512 0.1332 1.0000 Uiso . . . . . .
H1121 H 0.5427 0.9521 0.5731 0.1040 1.0000 Uiso . . . . . .
H1221 H 0.7272 0.8443 0.5026 0.0589 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_IV_Table_2.2B
'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_IV_Table_2.2B
'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_IV_Table_2.2B
'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_IV_Table_2.2B
'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_IV_Table_2.2B
'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_IV_Table_2.2B
'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_IV_Table_2.2B
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 . N11 . 83.94(10) yes
Cl1 . Os1 . N41 . 85.10(10) yes
N11 . Os1 . N41 . 74.89(14) yes
Cl1 . Os1 . C12 . 149.96(12) yes
N11 . Os1 . C12 . 123.85(15) yes
N41 . Os1 . C12 . 91.26(15) yes
Cl1 . Os1 . C22 . 113.21(13) yes
N11 . Os1 . C22 . 161.32(16) yes
N41 . Os1 . C22 . 98.38(16) yes
C12 . Os1 . C22 . 37.86(17) yes
Cl1 . Os1 . C32 . 91.14(15) yes
N11 . Os1 . C32 . 156.7(2) yes
N41 . Os1 . C32 . 127.5(2) yes
C12 . Os1 . C32 . 67.67(18) yes
C22 . Os1 . C32 . 36.94(19) yes
Cl1 . Os1 . C42 . 95.97(16) yes
N11 . Os1 . C42 . 120.1(2) yes
N41 . Os1 . C42 . 165.0(2) yes
C12 . Os1 . C42 . 80.32(18) yes
C22 . Os1 . C42 . 67.4(2) yes
Cl1 . Os1 . C52 . 124.72(16) yes
N11 . Os1 . C52 . 97.43(19) yes
N41 . Os1 . C52 . 148.8(2) yes
C12 . Os1 . C52 . 67.62(18) yes
C22 . Os1 . C52 . 79.20(19) yes
Cl1 . Os1 . C62 . 162.19(14) yes
N11 . Os1 . C62 . 98.70(16) yes
N41 . Os1 . C62 . 112.64(17) yes
C12 . Os1 . C62 . 37.37(16) yes
C22 . Os1 . C62 . 67.37(18) yes
C32 . Os1 . C42 . 37.6(2) yes
C32 . Os1 . C52 . 66.8(2) yes
C42 . Os1 . C52 . 36.8(2) yes
C32 . Os1 . C62 . 79.4(2) yes
C42 . Os1 . C62 . 67.4(2) yes
C52 . Os1 . C62 . 37.5(2) yes
Os1 . N11 . N21 . 119.7(3) yes
Os1 . N11 . C91 . 126.0(3) yes
N21 . N11 . C91 . 114.3(4) yes
N11 . N21 . C31 . 112.0(4) yes
N21 . C31 . N41 . 118.6(4) yes
N21 . C31 . C81 . 119.7(4) yes
N41 . C31 . C81 . 121.7(4) yes
Os1 . N41 . C31 . 114.5(3) yes
Os1 . N41 . C51 . 126.5(3) yes
C31 . N41 . C51 . 118.9(4) yes
N41 . C51 . C61 . 121.6(4) yes
N41 . C51 . H511 . 118.719 no
C61 . C51 . H511 . 119.715 no
C51 . C61 . C71 . 119.9(4) yes
C51 . C61 . H611 . 120.205 no
C71 . C61 . H611 . 119.929 no
C61 . C71 . C81 . 118.9(4) yes
C61 . C71 . H711 . 120.661 no
C81 . C71 . H711 . 120.441 no
C31 . C81 . C71 . 118.9(4) yes
C31 . C81 . H811 . 120.656 no
C71 . C81 . H811 . 120.468 no
N11 . C91 . C101 . 121.2(4) yes
N11 . C91 . C141 . 120.0(4) yes
C101 . C91 . C141 . 118.9(4) yes
C91 . C101 . C111 . 121.0(4) yes
C91 . C101 . H1011 . 119.366 no
C111 . C101 . H1011 . 119.640 no
C101 . C111 . C121 . 120.6(4) yes
C101 . C111 . H1111 . 119.392 no
C121 . C111 . H1111 . 119.984 no
C111 . C121 . C131 . 117.8(4) yes
C111 . C121 . N151 . 120.3(4) yes
C131 . C121 . N151 . 121.8(4) yes
C121 . C131 . C141 . 121.0(4) yes
C121 . C131 . H1311 . 119.626 no
C141 . C131 . H1311 . 119.374 no
C91 . C141 . C131 . 120.7(4) yes
C91 . C141 . H1411 . 119.489 no
C131 . C141 . H1411 . 119.857 no
C121 . N151 . C161 . 120.9(4) yes
C121 . N151 . C171 . 120.4(4) yes
C161 . N151 . C171 . 118.6(4) yes
N151 . C161 . H1611 . 110.457 no
N151 . C161 . H1612 . 109.716 no
H1611 . C161 . H1612 . 108.576 no
N151 . C161 . H1613 . 110.523 no
H1611 . C161 . H1613 . 109.182 no
H1612 . C161 . H1613 . 108.334 no
N151 . C171 . H1711 . 110.389 no
N151 . C171 . H1712 . 109.883 no
H1711 . C171 . H1712 . 108.768 no
N151 . C171 . H1713 . 110.333 no
H1711 . C171 . H1713 . 108.920 no
H1712 . C171 . H1713 . 108.504 no
Os1 . C12 . C22 . 70.6(3) yes
Os1 . C12 . C62 . 70.6(3) yes
C22 . C12 . C62 . 118.0(4) yes
Os1 . C12 . C72 . 128.2(3) yes
C22 . C12 . C72 . 120.3(4) yes
C62 . C12 . C72 . 121.6(4) yes
Os1 . C22 . C12 . 71.5(2) yes
Os1 . C22 . C32 . 70.8(3) yes
C12 . C22 . C32 . 120.4(5) yes
Os1 . C22 . H221 . 130.232 no
C12 . C22 . H221 . 119.629 no
C32 . C22 . H221 . 120.007 no
Os1 . C32 . C22 . 72.2(3) yes
Os1 . C32 . C42 . 72.3(3) yes
C22 . C32 . C42 . 121.5(5) yes
Os1 . C32 . H321 . 128.940 no
C22 . C32 . H321 . 119.287 no
C42 . C32 . H321 . 119.224 no
Os1 . C42 . C32 . 70.0(3) yes
Os1 . C42 . C52 . 71.3(3) yes
C32 . C42 . C52 . 118.5(5) yes
Os1 . C42 . H421 . 130.147 no
C32 . C42 . H421 . 120.487 no
C52 . C42 . H421 . 121.059 no
Os1 . C52 . C42 . 71.9(3) yes
Os1 . C52 . C62 . 70.8(3) yes
C42 . C52 . C62 . 120.9(5) yes
Os1 . C52 . H521 . 129.871 no
C42 . C52 . H521 . 119.391 no
C62 . C52 . H521 . 119.663 no
Os1 . C62 . C52 . 71.6(3) yes
Os1 . C62 . C12 . 72.0(3) yes
C52 . C62 . C12 . 120.8(5) yes
Os1 . C62 . H621 . 128.995 no
C52 . C62 . H621 . 120.111 no
C12 . C62 . H621 . 119.135 no
C12 . C72 . C82 . 121.2(5) yes
C12 . C72 . C122 . 119.3(5) yes
C82 . C72 . C122 . 119.4(5) yes
C72 . C82 . C92 . 119.9(7) yes
C72 . C82 . H821 . 120.060 no
C92 . C82 . H821 . 120.063 no
C82 . C92 . C102 . 120.2(7) yes
C82 . C92 . H921 . 120.217 no
C102 . C92 . H921 . 119.541 no
C92 . C102 . C112 . 120.0(6) yes
C92 . C102 . H1021 . 118.707 no
C112 . C102 . H1021 . 121.293 no
C102 . C112 . C122 . 121.4(7) yes
C102 . C112 . H1121 . 118.901 no
C122 . C112 . H1121 . 119.686 no
C112 . C122 . C72 . 119.0(7) yes
C112 . C122 . H1221 . 120.735 no
C72 . C122 . H1221 . 120.225 no
F1 . P1 . F2 . 179.4(2) yes
F1 . P1 . F3 . 89.3(2) yes
F2 . P1 . F3 . 90.2(2) yes
F1 . P1 . F4 . 90.2(2) yes
F2 . P1 . F4 . 90.2(2) yes
F3 . P1 . F4 . 179.4(2) yes
F1 . P1 . F5 . 89.5(2) yes
F2 . P1 . F5 . 90.1(3) yes
F3 . P1 . F5 . 89.4(2) yes
F4 . P1 . F5 . 90.3(2) yes
F1 . P1 . F6 . 90.4(3) yes
F2 . P1 . F6 . 90.0(3) yes
F3 . P1 . F6 . 90.6(2) yes
F4 . P1 . F6 . 89.8(2) yes
F5 . P1 . F6 . 179.9(3) 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 . 2.3962(11) yes
Os1 . N11 . 2.071(4) yes
Os1 . N41 . 2.055(3) yes
Os1 . C12 . 2.220(4) yes
Os1 . C22 . 2.207(5) yes
Os1 . C32 . 2.189(5) yes
Os1 . C42 . 2.219(5) yes
Os1 . C52 . 2.211(5) yes
Os1 . C62 . 2.201(5) yes
N11 . N21 . 1.299(5) yes
N11 . C91 . 1.413(5) yes
N21 . C31 . 1.377(5) yes
C31 . N41 . 1.350(6) yes
C31 . C81 . 1.392(6) yes
N41 . C51 . 1.357(5) yes
C51 . C61 . 1.368(6) yes
C51 . H511 . 1.009 no
C61 . C71 . 1.390(7) yes
C61 . H611 . 1.009 no
C71 . C81 . 1.384(6) yes
C71 . H711 . 1.010 no
C81 . H811 . 1.016 no
C91 . C101 . 1.399(6) yes
C91 . C141 . 1.409(6) yes
C101 . C111 . 1.369(6) yes
C101 . H1011 . 1.007 no
C111 . C121 . 1.429(6) yes
C111 . H1111 . 1.007 no
C121 . C131 . 1.409(7) yes
C121 . N151 . 1.362(6) yes
C131 . C141 . 1.374(6) yes
C131 . H1311 . 1.009 no
C141 . H1411 . 1.010 no
N151 . C161 . 1.450(7) yes
N151 . C171 . 1.461(6) yes
C161 . H1611 . 1.000 no
C161 . H1612 . 1.011 no
C161 . H1613 . 1.003 no
C171 . H1711 . 1.002 no
C171 . H1712 . 1.007 no
C171 . H1713 . 1.005 no
C12 . C22 . 1.436(6) yes
C12 . C62 . 1.416(6) yes
C12 . C72 . 1.486(6) yes
C22 . C32 . 1.393(7) yes
C22 . H221 . 1.013 no
C32 . C42 . 1.423(9) yes
C32 . H321 . 1.014 no
C42 . C52 . 1.397(9) yes
C42 . H421 . 1.011 no
C52 . C62 . 1.420(8) yes
C52 . H521 . 1.011 no
C62 . H621 . 1.015 no
C72 . C82 . 1.389(7) yes
C72 . C122 . 1.387(7) yes
C82 . C92 . 1.384(9) yes
C82 . H821 . 1.018 no
C92 . C102 . 1.381(13) yes
C92 . H921 . 1.007 no
C102 . C112 . 1.340(13) yes
C102 . H1021 . 1.001 no
C112 . C122 . 1.399(9) yes
C112 . H1121 . 1.014 no
C122 . H1221 . 1.022 no
P1 . F1 . 1.591(4) yes
P1 . F2 . 1.576(4) yes
P1 . F3 . 1.608(4) yes
P1 . F4 . 1.599(4) yes
P1 . F5 . 1.589(4) yes
P1 . F6 . 1.572(4) yes
