#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:33:07 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301779 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/35/1543548.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_1543548
loop_
_publ_author_name
'Preshendren Govender'
'Fabio Edafe'
'Banothile C.E. Makhubela'
'Paul J. Dyson'
'Bruno Therrien'
'Gregory S. Smith'
_publ_section_title
;
 Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis,
 characterisation and anticancer activity
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              112
_journal_page_last               120
_journal_paper_doi               10.1016/j.ica.2013.05.025
_journal_volume                  409A
_journal_year                    2014
_chemical_formula_sum            'C26 H38 F6 N4 O Os P2'
_chemical_formula_weight         788.74
_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
_cell_angle_alpha                103.275(4)
_cell_angle_beta                 97.262(4)
_cell_angle_gamma                102.771(4)
_cell_formula_units_Z            2
_cell_length_a                   9.2386(4)
_cell_length_b                   11.0355(5)
_cell_length_c                   15.4940(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1473.06(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27293
_diffrn_reflns_theta_full        29.20
_diffrn_reflns_theta_max         29.20
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    4.503
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             780
_refine_diff_density_max         1.496
_refine_diff_density_min         -2.190
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         7950
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0207P)²+4.0984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                6973
_reflns_number_total             7950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2014-409A-112-120-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value 'doi:10.1016/j.ica.2013.05.025' was
changed to '10.1016/j.ica.2013.05.025'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 

The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        1473.06(11)
_cod_database_code               1543548
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
C1 C 0.3260(7) 0.6234(5) 0.4998(4) 0.0458(14) Uani 1 1 d . . .
H1A H 0.3052 0.5777 0.5445 0.069 Uiso 1 1 calc R . .
H1B H 0.2966 0.7027 0.5146 0.069 Uiso 1 1 calc R . .
H1C H 0.4321 0.6417 0.4985 0.069 Uiso 1 1 calc R . .
C2 C 0.2374(6) 0.5409(5) 0.4076(4) 0.0379(11) Uani 1 1 d . . .
H2A H 0.2591 0.5869 0.3625 0.046 Uiso 1 1 calc R . .
H2B H 0.1301 0.5255 0.4083 0.046 Uiso 1 1 calc R . .
C3 C 0.2776(5) 0.4122(4) 0.3824(3) 0.0290(9) Uani 1 1 d . . .
H3A H 0.3866 0.4275 0.3949 0.035 Uiso 1 1 calc R . .
H3B H 0.2362 0.3592 0.4199 0.035 Uiso 1 1 calc R . .
C4 C 0.2915(5) 0.3889(5) 0.2298(3) 0.0299(10) Uani 1 1 d . . .
H4 H 0.3704 0.4625 0.2552 0.036 Uiso 1 1 calc R . .
C5 C 0.2635(5) 0.3418(5) 0.1331(3) 0.0285(10) Uani 1 1 d . . .
C6 C 0.3364(6) 0.4223(5) 0.0839(4) 0.0371(12) Uani 1 1 d . . .
H6 H 0.4001 0.5026 0.1148 0.045 Uiso 1 1 calc R . .
C7 C 0.3153(6) 0.3844(6) -0.0085(4) 0.0403(12) Uani 1 1 d . . .
H7 H 0.3624 0.4394 -0.0398 0.048 Uiso 1 1 calc R . .
C8 C 0.2231(6) 0.2633(5) -0.0551(4) 0.0368(12) Uani 1 1 d . . .
H8 H 0.2098 0.2372 -0.1177 0.044 Uiso 1 1 calc R . .
C9 C 0.1505(5) 0.1809(5) -0.0092(3) 0.0319(10) Uani 1 1 d . . .
H9 H 0.0898 0.0999 -0.0413 0.038 Uiso 1 1 calc R . .
C10 C 0.1679(5) 0.2188(4) 0.0856(3) 0.0257(9) Uani 1 1 d . . .
C11 C -0.1897(6) 0.2061(5) 0.1787(4) 0.0364(12) Uani 1 1 d . . .
C12 C -0.1358(6) 0.3064(5) 0.2578(4) 0.0365(12) Uani 1 1 d . . .
H12 H -0.1256 0.3913 0.2557 0.044 Uiso 1 1 calc R . .
C13 C -0.0963(5) 0.2782(5) 0.3424(3) 0.0312(10) Uani 1 1 d . . .
H13 H -0.0536 0.3460 0.3938 0.037 Uiso 1 1 calc R . .
C14 C -0.1206(5) 0.1509(5) 0.3494(3) 0.0283(10) Uani 1 1 d . . .
C15 C -0.1745(5) 0.0490(5) 0.2683(3) 0.0284(10) Uani 1 1 d . . .
H15 H -0.1894 -0.0362 0.2709 0.034 Uiso 1 1 calc R . .
C16 C -0.2050(5) 0.0762(5) 0.1852(3) 0.0313(10) Uani 1 1 d . . .
H16 H -0.2359 0.0087 0.1328 0.038 Uiso 1 1 calc R . .
C17 C -0.2266(7) 0.2269(7) 0.0852(4) 0.0523(17) Uani 1 1 d . . .
H17 H -0.1936 0.1630 0.0425 0.063 Uiso 1 1 calc R . .
C18 C -0.1474(9) 0.3605(8) 0.0777(5) 0.074(3) Uani 1 1 d . . .
H18A H -0.1868 0.4245 0.1134 0.111 Uiso 1 1 calc R . .
H18B H -0.1649 0.3627 0.0158 0.111 Uiso 1 1 calc R . .
H18C H -0.0408 0.3781 0.0993 0.111 Uiso 1 1 calc R . .
C19 C -0.3986(8) 0.1993(10) 0.0588(5) 0.077(3) Uani 1 1 d . . .
H19A H -0.4447 0.1128 0.0598 0.116 Uiso 1 1 calc R . .
H19B H -0.4241 0.2089 -0.0008 0.116 Uiso 1 1 calc R . .
H19C H -0.4345 0.2588 0.1008 0.116 Uiso 1 1 calc R . .
C20 C -0.0924(6) 0.1224(5) 0.4400(3) 0.0364(11) Uani 1 1 d . . .
H20A H -0.0099 0.1891 0.4793 0.055 Uiso 1 1 calc R . .
H20B H -0.0677 0.0410 0.4322 0.055 Uiso 1 1 calc R . .
H20C H -0.1815 0.1190 0.4661 0.055 Uiso 1 1 calc R . .
C21 C 0.1704(6) -0.0907(5) 0.1910(4) 0.0425(13) Uani 1 1 d . . .
H21A H 0.0708 -0.1471 0.1850 0.051 Uiso 1 1 calc R . .
H21B H 0.1779 -0.0702 0.1339 0.051 Uiso 1 1 calc R . .
C22 C 0.2035(6) -0.0080(6) 0.3783(4) 0.0472(15) Uani 1 1 d . . .
H22A H 0.2313 0.0620 0.4331 0.057 Uiso 1 1 calc R . .
H22B H 0.1049 -0.0617 0.3781 0.057 Uiso 1 1 calc R . .
C23 C 0.3974(5) 0.1291(5) 0.2887(4) 0.0325(11) Uani 1 1 d . . .
H23A H 0.4141 0.1573 0.2351 0.039 Uiso 1 1 calc R . .
H23B H 0.4323 0.2039 0.3404 0.039 Uiso 1 1 calc R . .
C24 C 0.2775(6) -0.1952(6) 0.2961(5) 0.056(2) Uani 1 1 d . . .
H24A H 0.3453 -0.2496 0.3026 0.067 Uiso 1 1 calc R . .
H24B H 0.1757 -0.2460 0.2924 0.067 Uiso 1 1 calc R . .
C25 C 0.4679(6) -0.0081(6) 0.3801(4) 0.0455(14) Uani 1 1 d . . .
H25A H 0.4928 0.0670 0.4315 0.055 Uiso 1 1 calc R . .
H25B H 0.5397 -0.0584 0.3891 0.055 Uiso 1 1 calc R . .
C26 C 0.4395(6) -0.0778(5) 0.2200(4) 0.0407(12) Uani 1 1 d . . .
H26A H 0.5108 -0.1300 0.2235 0.049 Uiso 1 1 calc R . .
H26B H 0.4452 -0.0483 0.1659 0.049 Uiso 1 1 calc R . .
F1 F 0.6656(7) 0.5144(5) 0.2809(6) 0.158(4) Uani 1 1 d . . .
F2 F 0.8553(5) 0.6177(4) 0.3925(4) 0.0892(16) Uani 1 1 d . . .
F3 F 0.8113(9) 0.8006(5) 0.3741(6) 0.178(4) Uani 1 1 d . . .
F4 F 0.6268(6) 0.6992(5) 0.2618(4) 0.1024(19) Uani 1 1 d . . .
F5 F 0.8518(9) 0.6582(12) 0.2650(6) 0.195(5) Uani 1 1 d . . .
F6 F 0.6222(11) 0.6509(10) 0.3872(6) 0.192(4) Uani 1 1 d . . .
N1 N 0.2197(4) 0.3409(4) 0.2857(3) 0.0255(8) Uani 1 1 d . . .
N2 N 0.2864(5) -0.1590(4) 0.2117(4) 0.0433(11) Uani 1 1 d . . .
N3 N 0.3158(5) -0.0859(6) 0.3776(4) 0.0513(14) Uani 1 1 d . . .
N4 N 0.4854(4) 0.0348(4) 0.2986(3) 0.0356(10) Uani 1 1 d . . .
O1 O 0.0954(4) 0.1349(3) 0.1247(2) 0.0289(7) Uani 1 1 d . . .
Os Os 0.028719(19) 0.182103(18) 0.249042(13) 0.02191(5) Uani 1 1 d . . .
P1 P 0.19303(12) 0.05876(11) 0.27972(8) 0.0246(2) Uani 1 1 d . . .
P2 P 0.73936(15) 0.65841(13) 0.32831(10) 0.0357(3) 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'
F F 0.0171 0.0103 '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'
Os Os -1.2165 7.6030 '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'
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
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C1 C2 C3 111.3(4) . .
C1 C2 H2A 109.4 . .
C3 C2 H2A 109.4 . .
C1 C2 H2B 109.4 . .
C3 C2 H2B 109.4 . .
H2A C2 H2B 108.0 . .
N1 C3 C2 113.0(4) . .
N1 C3 H3A 109.0 . .
C2 C3 H3A 109.0 . .
N1 C3 H3B 109.0 . .
C2 C3 H3B 109.0 . .
H3A C3 H3B 107.8 . .
N1 C4 C5 127.6(5) . .
N1 C4 H4 116.2 . .
C5 C4 H4 116.2 . .
C6 C5 C10 119.0(5) . .
C6 C5 C4 118.0(5) . .
C10 C5 C4 123.0(4) . .
C7 C6 C5 121.4(5) . .
C7 C6 H6 119.3 . .
C5 C6 H6 119.3 . .
C6 C7 C8 119.7(5) . .
C6 C7 H7 120.2 . .
C8 C7 H7 120.2 . .
C7 C8 C9 120.7(5) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C8 C9 C10 120.7(5) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
O1 C10 C9 117.3(4) . .
O1 C10 C5 124.2(4) . .
C9 C10 C5 118.5(4) . .
C12 C11 C16 118.2(4) . .
C12 C11 C17 123.7(5) . .
C16 C11 C17 118.0(5) . .
C12 C11 Os 71.6(3) . .
C16 C11 Os 68.5(2) . .
C17 C11 Os 129.0(3) . .
C11 C12 C13 120.0(4) . .
C11 C12 Os 72.4(3) . .
C13 C12 Os 68.8(2) . .
C11 C12 H12 120.0 . .
C13 C12 H12 120.0 . .
Os C12 H12 131.7 . .
C14 C13 C12 121.6(5) . .
C14 C13 Os 73.4(3) . .
C12 C13 Os 73.6(3) . .
C14 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
Os C13 H13 125.6 . .
C13 C14 C15 117.9(4) . .
C13 C14 C20 121.2(5) . .
C15 C14 C20 120.9(4) . .
C13 C14 Os 69.7(2) . .
C15 C14 Os 70.2(2) . .
C20 C14 Os 132.1(3) . .
C16 C15 C14 120.5(4) . .
C16 C15 Os 70.8(3) . .
C14 C15 Os 72.4(2) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
Os C15 H15 129.5 . .
C15 C16 C11 121.5(5) . .
C15 C16 Os 72.2(3) . .
C11 C16 Os 74.0(3) . .
C15 C16 H16 119.2 . .
C11 C16 H16 119.2 . .
Os C16 H16 126.6 . .
C11 C17 C18 114.2(6) . .
C11 C17 C19 108.3(5) . .
C18 C17 C19 111.3(6) . .
C11 C17 H17 107.6 . .
C18 C17 H17 107.6 . .
C19 C17 H17 107.6 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C14 C20 H20A 109.5 . .
C14 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C14 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N2 C21 P1 111.8(4) . .
N2 C21 H21A 109.3 . .
P1 C21 H21A 109.3 . .
N2 C21 H21B 109.3 . .
P1 C21 H21B 109.3 . .
H21A C21 H21B 107.9 . .
N3 C22 P1 111.5(4) . .
N3 C22 H22A 109.3 . .
P1 C22 H22A 109.3 . .
N3 C22 H22B 109.3 . .
P1 C22 H22B 109.3 . .
H22A C22 H22B 108.0 . .
N4 C23 P1 111.4(3) . .
N4 C23 H23A 109.3 . .
P1 C23 H23A 109.3 . .
N4 C23 H23B 109.3 . .
P1 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
N2 C24 N3 114.8(4) . .
N2 C24 H24A 108.6 . .
N3 C24 H24A 108.6 . .
N2 C24 H24B 108.6 . .
N3 C24 H24B 108.6 . .
H24A C24 H24B 107.6 . .
N4 C25 N3 114.1(5) . .
N4 C25 H25A 108.7 . .
N3 C25 H25A 108.7 . .
N4 C25 H25B 108.7 . .
N3 C25 H25B 108.7 . .
H25A C25 H25B 107.6 . .
N4 C26 N2 114.2(4) . .
N4 C26 H26A 108.7 . .
N2 C26 H26A 108.7 . .
N4 C26 H26B 108.7 . .
N2 C26 H26B 108.7 . .
H26A C26 H26B 107.6 . .
C4 N1 C3 114.4(4) . .
C4 N1 Os 125.2(4) . .
C3 N1 Os 120.3(3) . .
C24 N2 C26 107.8(4) . .
C24 N2 C21 111.5(5) . .
C26 N2 C21 111.2(4) . .
C25 N3 C24 107.6(5) . .
C25 N3 C22 111.5(5) . .
C24 N3 C22 111.6(5) . .
C25 N4 C26 109.1(4) . .
C25 N4 C23 111.6(4) . .
C26 N4 C23 110.9(4) . .
C10 O1 Os 125.3(3) . .
O1 Os N1 86.40(14) . .
O1 Os C13 153.20(16) . .
N1 Os C13 93.54(17) . .
O1 Os C16 89.87(16) . .
N1 Os C16 155.38(16) . .
C13 Os C16 79.10(19) . .
O1 Os C15 116.80(16) . .
N1 Os C15 156.72(17) . .
C13 Os C15 66.82(18) . .
C16 Os C15 36.97(18) . .
O1 Os C14 154.18(16) . .
N1 Os C14 119.40(17) . .
C13 Os C14 36.92(17) . .
C16 Os C14 67.12(18) . .
C15 Os C14 37.38(18) . .
O1 Os C12 115.59(16) . .
N1 Os C12 93.65(17) . .
C13 Os C12 37.62(18) . .
C16 Os C12 66.2(2) . .
C15 Os C12 78.49(17) . .
C14 Os C12 66.92(16) . .
O1 Os C11 89.65(16) . .
N1 Os C11 118.07(17) . .
C13 Os C11 66.75(19) . .
C16 Os C11 37.50(19) . .
C15 Os C11 67.00(18) . .
C14 Os C11 79.20(17) . .
C12 Os C11 36.0(2) . .
O1 Os P1 79.59(9) . .
N1 Os P1 86.75(10) . .
C13 Os P1 127.20(13) . .
C16 Os P1 116.49(13) . .
C15 Os P1 95.25(12) . .
C14 Os P1 99.70(11) . .
C12 Os P1 164.82(13) . .
C11 Os P1 152.44(15) . .
C21 P1 C22 98.5(3) . .
C21 P1 C23 98.7(2) . .
C22 P1 C23 98.4(2) . .
C21 P1 Os 114.74(16) . .
C22 P1 Os 124.23(16) . .
C23 P1 Os 117.73(15) . .
F6 P2 F5 176.5(7) . .
F6 P2 F3 92.7(6) . .
F5 P2 F3 90.7(6) . .
F6 P2 F1 87.4(5) . .
F5 P2 F1 89.1(6) . .
F3 P2 F1 179.4(4) . .
F6 P2 F2 94.3(4) . .
F5 P2 F2 86.5(4) . .
F3 P2 F2 91.4(3) . .
F1 P2 F2 89.2(3) . .
F6 P2 F4 87.5(4) . .
F5 P2 F4 91.6(4) . .
F3 P2 F4 88.6(3) . .
F1 P2 F4 90.8(3) . .
F2 P2 F4 178.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.522(8) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.524(6) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 N1 1.490(6) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 N1 1.292(6) .
C4 C5 1.438(7) .
C4 H4 0.9300 .
C5 C6 1.414(6) .
C5 C10 1.418(7) .
C6 C7 1.371(8) .
C6 H6 0.9300 .
C7 C8 1.389(8) .
C7 H7 0.9300 .
C8 C9 1.390(6) .
C8 H8 0.9300 .
C9 C10 1.409(7) .
C9 H9 0.9300 .
C10 O1 1.326(5) .
C11 C12 1.398(8) .
C11 C16 1.436(7) .
C11 C17 1.527(7) .
C11 Os 2.267(5) .
C12 C13 1.437(7) .
C12 Os 2.258(5) .
C12 H12 0.9300 .
C13 C14 1.405(7) .
C13 Os 2.194(4) .
C13 H13 0.9300 .
C14 C15 1.427(7) .
C14 C20 1.511(6) .
C14 Os 2.241(4) .
C15 C16 1.398(7) .
C15 Os 2.213(4) .
C15 H15 0.9300 .
C16 Os 2.195(5) .
C16 H16 0.9300 .
C17 C18 1.532(10) .
C17 C19 1.533(9) .
C17 H17 0.9800 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 N2 1.483(6) .
C21 P1 1.840(6) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 N3 1.486(6) .
C22 P1 1.843(5) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 N4 1.478(6) .
C23 P1 1.850(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 N2 1.459(8) .
C24 N3 1.473(9) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 N4 1.461(7) .
C25 N3 1.467(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 N4 1.466(7) .
C26 N2 1.470(7) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
F1 P2 1.546(5) .
F2 P2 1.577(4) .
F3 P2 1.522(5) .
F4 P2 1.579(4) .
F5 P2 1.516(6) .
F6 P2 1.502(6) .
N1 Os 2.104(4) .
O1 Os 2.084(3) .
Os P1 2.3263(11) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 C2 C3 N1 -167.6(4) . . . .
N1 C4 C5 C6 168.3(4) . . . .
N1 C4 C5 C10 -12.4(7) . . . .
C10 C5 C6 C7 0.7(7) . . . .
C4 C5 C6 C7 -179.9(5) . . . .
C5 C6 C7 C8 -1.5(8) . . . .
C6 C7 C8 C9 0.8(8) . . . .
C7 C8 C9 C10 0.5(7) . . . .
C8 C9 C10 O1 -179.9(4) . . . .
C8 C9 C10 C5 -1.2(6) . . . .
C6 C5 C10 O1 179.1(4) . . . .
C4 C5 C10 O1 -0.2(7) . . . .
C6 C5 C10 C9 0.6(6) . . . .
C4 C5 C10 C9 -178.7(4) . . . .
C16 C11 C12 C13 0.5(7) . . . .
C17 C11 C12 C13 -176.7(4) . . . .
Os C11 C12 C13 -51.5(4) . . . .
C16 C11 C12 Os 52.0(4) . . . .
C17 C11 C12 Os -125.2(5) . . . .
C11 C12 C13 C14 -4.7(7) . . . .
Os C12 C13 C14 -57.9(4) . . . .
C11 C12 C13 Os 53.2(4) . . . .
C12 C13 C14 C15 5.1(6) . . . .
Os C13 C14 C15 -52.9(3) . . . .
C12 C13 C14 C20 -174.2(4) . . . .
Os C13 C14 C20 127.8(4) . . . .
C12 C13 C14 Os 58.0(4) . . . .
C13 C14 C15 C16 -1.5(6) . . . .
C20 C14 C15 C16 177.9(4) . . . .
Os C14 C15 C16 -54.1(3) . . . .
C13 C14 C15 Os 52.6(3) . . . .
C20 C14 C15 Os -128.0(4) . . . .
C14 C15 C16 C11 -2.7(6) . . . .
Os C15 C16 C11 -57.5(4) . . . .
C14 C15 C16 Os 54.8(3) . . . .
C12 C11 C16 C15 3.1(6) . . . .
C17 C11 C16 C15 -179.5(4) . . . .
Os C11 C16 C15 56.6(4) . . . .
C12 C11 C16 Os -53.5(4) . . . .
C17 C11 C16 Os 123.8(4) . . . .
C12 C11 C17 C18 21.8(7) . . . .
C16 C11 C17 C18 -155.4(5) . . . .
Os C11 C17 C18 -71.2(6) . . . .
C12 C11 C17 C19 -102.7(7) . . . .
C16 C11 C17 C19 80.1(6) . . . .
Os C11 C17 C19 164.2(5) . . . .
C5 C4 N1 C3 179.5(4) . . . .
C5 C4 N1 Os -3.8(7) . . . .
C2 C3 N1 C4 73.0(5) . . . .
C2 C3 N1 Os -103.8(4) . . . .
N3 C24 N2 C26 56.0(5) . . . .
N3 C24 N2 C21 -66.2(6) . . . .
N4 C26 N2 C24 -54.7(6) . . . .
N4 C26 N2 C21 67.7(6) . . . .
P1 C21 N2 C24 60.4(6) . . . .
P1 C21 N2 C26 -59.9(6) . . . .
N4 C25 N3 C24 55.3(6) . . . .
N4 C25 N3 C22 -67.4(7) . . . .
N2 C24 N3 C25 -56.4(5) . . . .
N2 C24 N3 C22 66.2(6) . . . .
P1 C22 N3 C25 60.4(6) . . . .
P1 C22 N3 C24 -59.9(6) . . . .
N3 C25 N4 C26 -55.2(6) . . . .
N3 C25 N4 C23 67.7(6) . . . .
N2 C26 N4 C25 54.8(5) . . . .
N2 C26 N4 C23 -68.5(5) . . . .
P1 C23 N4 C25 -60.7(5) . . . .
P1 C23 N4 C26 61.1(5) . . . .
C9 C10 O1 Os -154.5(3) . . . .
C5 C10 O1 Os 26.9(6) . . . .
C10 O1 Os N1 -31.0(3) . . . .
C10 O1 Os C13 59.7(5) . . . .
C10 O1 Os C16 124.6(4) . . . .
C10 O1 Os C15 151.0(3) . . . .
C10 O1 Os C14 150.8(4) . . . .
C10 O1 Os C12 61.3(4) . . . .
C10 O1 Os C11 87.1(4) . . . .
C10 O1 Os P1 -118.4(3) . . . .
C4 N1 Os O1 19.7(4) . . . .
C3 N1 Os O1 -163.7(3) . . . .
C4 N1 Os C13 -133.4(4) . . . .
C3 N1 Os C13 43.1(3) . . . .
C4 N1 Os C16 -62.1(6) . . . .
C3 N1 Os C16 114.4(4) . . . .
C4 N1 Os C15 -164.8(4) . . . .
C3 N1 Os C15 11.8(5) . . . .
C4 N1 Os C14 -161.2(3) . . . .
C3 N1 Os C14 15.3(3) . . . .
C4 N1 Os C12 -95.7(4) . . . .
C3 N1 Os C12 80.8(3) . . . .
C4 N1 Os C11 -67.9(4) . . . .
C3 N1 Os C11 108.6(3) . . . .
C4 N1 Os P1 99.5(4) . . . .
C3 N1 Os P1 -84.0(3) . . . .
C14 C13 Os O1 133.5(3) . . . .
C12 C13 Os O1 2.4(5) . . . .
C14 C13 Os N1 -137.4(3) . . . .
C12 C13 Os N1 91.4(3) . . . .
C14 C13 Os C16 66.2(3) . . . .
C12 C13 Os C16 -64.9(3) . . . .
C14 C13 Os C15 29.6(3) . . . .
C12 C13 Os C15 -101.5(3) . . . .
C12 C13 Os C14 -131.2(4) . . . .
C14 C13 Os C12 131.2(4) . . . .
C14 C13 Os C11 103.4(3) . . . .
C12 C13 Os C11 -27.7(3) . . . .
C14 C13 Os P1 -48.8(3) . . . .
C12 C13 Os P1 -180.0(3) . . . .
C15 C16 Os O1 138.8(3) . . . .
C11 C16 Os O1 -89.6(3) . . . .
C15 C16 Os N1 -140.1(4) . . . .
C11 C16 Os N1 -8.5(5) . . . .
C15 C16 Os C13 -65.8(3) . . . .
C11 C16 Os C13 65.8(3) . . . .
C11 C16 Os C15 131.6(4) . . . .
C15 C16 Os C14 -29.1(3) . . . .
C11 C16 Os C14 102.5(3) . . . .
C15 C16 Os C12 -102.9(3) . . . .
C11 C16 Os C12 28.7(3) . . . .
C15 C16 Os C11 -131.6(4) . . . .
C15 C16 Os P1 60.5(3) . . . .
C11 C16 Os P1 -167.9(2) . . . .
C16 C15 Os O1 -47.5(3) . . . .
C14 C15 Os O1 -179.9(2) . . . .
C16 C15 Os N1 137.5(4) . . . .
C14 C15 Os N1 5.1(5) . . . .
C16 C15 Os C13 103.1(3) . . . .
C14 C15 Os C13 -29.3(3) . . . .
C14 C15 Os C16 -132.4(4) . . . .
C16 C15 Os C14 132.4(4) . . . .
C16 C15 Os C12 65.5(3) . . . .
C14 C15 Os C12 -66.9(3) . . . .
C16 C15 Os C11 29.6(3) . . . .
C14 C15 Os C11 -102.7(3) . . . .
C16 C15 Os P1 -128.5(3) . . . .
C14 C15 Os P1 99.1(2) . . . .
C13 C14 Os O1 -131.4(4) . . . .
C15 C14 Os O1 0.2(5) . . . .
C20 C14 Os O1 114.5(5) . . . .
C13 C14 Os N1 50.8(3) . . . .
C15 C14 Os N1 -177.7(2) . . . .
C20 C14 Os N1 -63.4(5) . . . .
C15 C14 Os C13 131.5(4) . . . .
C20 C14 Os C13 -114.2(6) . . . .
C13 C14 Os C16 -102.7(3) . . . .
C15 C14 Os C16 28.8(3) . . . .
C20 C14 Os C16 143.1(5) . . . .
C13 C14 Os C15 -131.5(4) . . . .
C20 C14 Os C15 114.3(6) . . . .
C13 C14 Os C12 -30.0(3) . . . .
C15 C14 Os C12 101.6(3) . . . .
C20 C14 Os C12 -144.2(5) . . . .
C13 C14 Os C11 -65.5(3) . . . .
C15 C14 Os C11 66.1(3) . . . .
C20 C14 Os C11 -179.7(5) . . . .
C13 C14 Os P1 142.5(3) . . . .
C15 C14 Os P1 -85.9(2) . . . .
C20 C14 Os P1 28.3(5) . . . .
C11 C12 Os O1 47.8(3) . . . .
C13 C12 Os O1 -178.8(3) . . . .
C11 C12 Os N1 135.6(3) . . . .
C13 C12 Os N1 -91.1(3) . . . .
C11 C12 Os C13 -133.3(4) . . . .
C11 C12 Os C16 -29.8(3) . . . .
C13 C12 Os C16 103.6(3) . . . .
C11 C12 Os C15 -66.5(3) . . . .
C13 C12 Os C15 66.8(3) . . . .
C11 C12 Os C14 -103.9(3) . . . .
C13 C12 Os C14 29.4(3) . . . .
C13 C12 Os C11 133.3(4) . . . .
C11 C12 Os P1 -133.3(5) . . . .
C13 C12 Os P1 0.0(8) . . . .
C12 C11 Os O1 -138.0(3) . . . .
C16 C11 Os O1 90.2(3) . . . .
C17 C11 Os O1 -19.1(5) . . . .
C12 C11 Os N1 -52.3(3) . . . .
C16 C11 Os N1 176.0(3) . . . .
C17 C11 Os N1 66.6(6) . . . .
C12 C11 Os C13 28.9(3) . . . .
C16 C11 Os C13 -102.8(3) . . . .
C17 C11 Os C13 147.8(6) . . . .
C12 C11 Os C16 131.7(4) . . . .
C17 C11 Os C16 -109.3(6) . . . .
C12 C11 Os C15 102.5(3) . . . .
C16 C11 Os C15 -29.3(3) . . . .
C17 C11 Os C15 -138.6(6) . . . .
C12 C11 Os C14 65.4(3) . . . .
C16 C11 Os C14 -66.3(3) . . . .
C17 C11 Os C14 -175.7(6) . . . .
C16 C11 Os C12 -131.7(4) . . . .
C17 C11 Os C12 119.0(7) . . . .
C12 C11 Os P1 155.7(2) . . . .
C16 C11 Os P1 24.0(4) . . . .
C17 C11 Os P1 -85.4(6) . . . .
N2 C21 P1 C22 -50.6(5) . . . .
N2 C21 P1 C23 49.4(5) . . . .
N2 C21 P1 Os 175.4(3) . . . .
N3 C22 P1 C21 50.3(5) . . . .
N3 C22 P1 C23 -49.8(5) . . . .
N3 C22 P1 Os 178.1(4) . . . .
N4 C23 P1 C21 -50.0(4) . . . .
N4 C23 P1 C22 49.9(4) . . . .
N4 C23 P1 Os -174.0(3) . . . .
O1 Os P1 C21 -44.4(2) . . . .
N1 Os P1 C21 -131.3(2) . . . .
C13 Os P1 C21 136.7(3) . . . .
C16 Os P1 C21 40.2(3) . . . .
C15 Os P1 C21 72.0(3) . . . .
C14 Os P1 C21 109.4(3) . . . .
C12 Os P1 C21 136.7(6) . . . .
C11 Os P1 C21 24.2(4) . . . .
O1 Os P1 C22 -165.0(3) . . . .
N1 Os P1 C22 108.1(3) . . . .
C13 Os P1 C22 16.1(3) . . . .
C16 Os P1 C22 -80.4(3) . . . .
C15 Os P1 C22 -48.7(3) . . . .
C14 Os P1 C22 -11.2(3) . . . .
C12 Os P1 C22 16.1(6) . . . .
C11 Os P1 C22 -96.4(4) . . . .
O1 Os P1 C23 71.1(2) . . . .
N1 Os P1 C23 -15.9(2) . . . .
C13 Os P1 C23 -107.8(3) . . . .
C16 Os P1 C23 155.7(2) . . . .
C15 Os P1 C23 -172.6(2) . . . .
C14 Os P1 C23 -135.1(2) . . . .
C12 Os P1 C23 -107.9(6) . . . .
C11 Os P1 C23 139.6(3) . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168302651
