# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Os12
_database_code_depnum_ccdc_archive 'CCDC 2075331'
loop_
_audit_author_name
_audit_author_address
'Yulia Nelyubina'
;AN Nesmeyanov Institute of Organoelement Compounds
Russia
;
_audit_update_record             
;
2021-04-05 deposited with the CCDC.	2021-05-20 downloaded from the CCDC.
;
_audit_creation_date             2021-04-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H28 Cl N O2 Os'
_chemical_formula_sum            'C25 H28 Cl N O2 Os'
_chemical_formula_weight         600.13
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.4652(9)
_cell_length_b                   9.6082(9)
_cell_length_c                   24.647(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.999(3)
_cell_angle_gamma                90
_cell_volume                     2241.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1552
_cell_measurement_temperature    120
_cell_measurement_theta_max      22.48
_cell_measurement_theta_min      2.69
_shelx_estimated_absorpt_T_max   0.944
_shelx_estimated_absorpt_T_min   0.274
_exptl_absorpt_coefficient_mu    5.831
_exptl_absorpt_correction_T_max  0.0511
_exptl_absorpt_correction_T_min  0.0232
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0665 before and 0.0585 after correction.
The Ratio of minimum to maximum transmission is 0.4540.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_unetI/netI     0.0801
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            12741
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.152
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3625
_reflns_number_total             4884
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.296
_refine_diff_density_min         -1.148
_refine_diff_density_rms         0.174
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         4884
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0404
_refine_ls_restrained_S_all      0.969
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0217P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0798
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C14(H14), C15(H15), C17(H17),
 C19(H19), C20(H20), C22(H22), C23(H23)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C24(H24A,H24B,H24C),
 C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.48549(3) 0.54164(3) 0.14863(2) 0.02020(8) Uani 1 1 d . . . . .
Cl1 Cl 0.63953(16) 0.62770(17) 0.22012(7) 0.0274(4) Uani 1 1 d . . . . .
O1 O 0.7096(5) 0.9553(5) 0.02383(19) 0.0302(11) Uani 1 1 d . . . . .
O2 O -0.0338(5) 0.4531(5) 0.3460(2) 0.0365(12) Uani 1 1 d . . . . .
N1 N 0.3316(5) 0.6584(5) 0.1890(2) 0.0231(12) Uani 1 1 d . . . . .
C1 C 0.3378(7) 0.3981(6) 0.1086(3) 0.0237(15) Uani 1 1 d . . . . .
C2 C 0.3836(7) 0.3304(6) 0.1577(3) 0.0241(16) Uani 1 1 d . . . . .
H2 H 0.3148 0.2940 0.1814 0.029 Uiso 1 1 calc R U . . .
C3 C 0.5257(7) 0.3168(6) 0.1713(3) 0.0248(15) Uani 1 1 d . . . . .
H3 H 0.5526 0.2738 0.2047 0.030 Uiso 1 1 calc R U . . .
C4 C 0.6340(7) 0.3676(6) 0.1351(3) 0.0250(15) Uani 1 1 d . . . . .
C5 C 0.5911(7) 0.4232(6) 0.0851(3) 0.0256(16) Uani 1 1 d . . . . .
H5 H 0.6604 0.4491 0.0596 0.031 Uiso 1 1 calc R U . . .
C6 C 0.4439(7) 0.4420(6) 0.0714(3) 0.0241(14) Uani 1 1 d . . . . .
H6 H 0.4170 0.4834 0.0378 0.029 Uiso 1 1 calc R U . . .
C7 C 0.1812(7) 0.4142(7) 0.0955(3) 0.0301(17) Uani 1 1 d . . . . .
H7 H 0.1324 0.4307 0.1306 0.036 Uiso 1 1 calc R U . . .
C8 C 0.1241(7) 0.2772(8) 0.0721(4) 0.043(2) Uani 1 1 d . . . . .
H8A H 0.1792 0.2510 0.0404 0.065 Uiso 1 1 calc R U . . .
H8B H 0.0248 0.2892 0.0612 0.065 Uiso 1 1 calc R U . . .
H8C H 0.1319 0.2040 0.0997 0.065 Uiso 1 1 calc R U . . .
C9 C 0.1479(8) 0.5368(8) 0.0590(4) 0.045(2) Uani 1 1 d . . . . .
H9A H 0.2000 0.6188 0.0719 0.067 Uiso 1 1 calc R U . . .
H9B H 0.0462 0.5560 0.0594 0.067 Uiso 1 1 calc R U . . .
H9C H 0.1759 0.5150 0.0218 0.067 Uiso 1 1 calc R U . . .
C10 C 0.7856(7) 0.3585(7) 0.1525(3) 0.0341(18) Uani 1 1 d . . . . .
H10A H 0.8421 0.4203 0.1298 0.051 Uiso 1 1 calc R U . . .
H10B H 0.8187 0.2625 0.1484 0.051 Uiso 1 1 calc R U . . .
H10C H 0.7955 0.3866 0.1905 0.051 Uiso 1 1 calc R U . . .
C11 C 0.5066(6) 0.7381(6) 0.1148(3) 0.0227(15) Uani 1 1 d . . . . .
C12 C 0.6015(7) 0.7830(6) 0.0758(3) 0.0246(15) Uani 1 1 d . . . . .
H12 H 0.6616 0.7174 0.0589 0.030 Uiso 1 1 calc R U . . .
C13 C 0.6091(7) 0.9241(6) 0.0611(3) 0.0266(16) Uani 1 1 d . . . . .
C14 C 0.5152(7) 1.0230(7) 0.0827(3) 0.0274(16) Uani 1 1 d . . . . .
H14 H 0.5178 1.1176 0.0714 0.033 Uiso 1 1 calc R U . . .
C15 C 0.4203(7) 0.9790(7) 0.1201(3) 0.0264(15) Uani 1 1 d . . . . .
H15 H 0.3561 1.0441 0.1349 0.032 Uiso 1 1 calc R U . . .
C16 C 0.4156(7) 0.8405(6) 0.1371(3) 0.0240(15) Uani 1 1 d . . . . .
C17 C 0.3243(7) 0.7905(7) 0.1775(3) 0.0245(15) Uani 1 1 d . . . . .
H17 H 0.2604 0.8506 0.1954 0.029 Uiso 1 1 calc R U . . .
C18 C 0.2391(7) 0.6032(7) 0.2297(3) 0.0251(15) Uani 1 1 d . . . . .
C19 C 0.0969(7) 0.6380(7) 0.2294(3) 0.0276(16) Uani 1 1 d . . . . .
H19 H 0.0601 0.6975 0.2018 0.033 Uiso 1 1 calc R U . . .
C20 C 0.0079(7) 0.5873(6) 0.2687(3) 0.0240(15) Uani 1 1 d . . . . .
H20 H -0.0891 0.6128 0.2683 0.029 Uiso 1 1 calc R U . . .
C21 C 0.0609(7) 0.4989(6) 0.3088(3) 0.0258(16) Uani 1 1 d . . . . .
C22 C 0.2032(7) 0.4623(7) 0.3091(3) 0.0281(15) Uani 1 1 d . . . . .
H22 H 0.2405 0.4030 0.3366 0.034 Uiso 1 1 calc R U . . .
C23 C 0.2907(7) 0.5134(6) 0.2688(3) 0.0229(15) Uani 1 1 d . . . . .
H23 H 0.3871 0.4858 0.2682 0.028 Uiso 1 1 calc R U . . .
C24 C 0.7353(8) 1.0995(7) 0.0122(3) 0.0363(19) Uani 1 1 d . . . . .
H24A H 0.8224 1.1082 -0.0085 0.054 Uiso 1 1 calc R U . . .
H24B H 0.7452 1.1514 0.0462 0.054 Uiso 1 1 calc R U . . .
H24C H 0.6558 1.1372 -0.0092 0.054 Uiso 1 1 calc R U . . .
C25 C 0.0196(8) 0.3708(9) 0.3900(3) 0.043(2) Uani 1 1 d . . . . .
H25A H 0.0664 0.2879 0.3757 0.065 Uiso 1 1 calc R U . . .
H25B H -0.0587 0.3424 0.4131 0.065 Uiso 1 1 calc R U . . .
H25C H 0.0877 0.4256 0.4115 0.065 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.4134(17) . ?
Os1 N1 2.103(5) . ?
Os1 C1 2.187(6) . ?
Os1 C2 2.260(6) . ?
Os1 C3 2.263(6) . ?
Os1 C4 2.214(6) . ?
Os1 C5 2.191(7) . ?
Os1 C6 2.160(7) . ?
Os1 C11 2.075(6) . ?
O1 C13 1.366(8) . ?
O1 C24 1.437(7) . ?
O2 C21 1.366(8) . ?
O2 C25 1.428(9) . ?
N1 C17 1.303(8) . ?
N1 C18 1.442(9) . ?
C1 C2 1.434(10) . ?
C1 C6 1.434(9) . ?
C1 C7 1.519(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.388(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.454(9) . ?
C4 C5 1.398(9) . ?
C4 C10 1.492(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.439(9) . ?
C6 H6 0.9500 . ?
C7 H7 1.0000 . ?
C7 C8 1.532(9) . ?
C7 C9 1.513(10) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.395(9) . ?
C11 C16 1.425(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.405(8) . ?
C13 C14 1.412(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.366(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.395(8) . ?
C16 C17 1.413(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.387(9) . ?
C18 C23 1.377(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(9) . ?
C21 C22 1.393(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.394(9) . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

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
N1 Os1 Cl1 83.47(15) . . ?
N1 Os1 C1 96.2(2) . . ?
N1 Os1 C2 97.6(2) . . ?
N1 Os1 C3 120.5(2) . . ?
N1 Os1 C4 157.1(2) . . ?
N1 Os1 C5 160.7(2) . . ?
N1 Os1 C6 122.4(2) . . ?
C1 Os1 Cl1 156.76(19) . . ?
C1 Os1 C2 37.6(2) . . ?
C1 Os1 C3 67.2(2) . . ?
C1 Os1 C4 81.9(2) . . ?
C1 Os1 C5 69.3(2) . . ?
C2 Os1 Cl1 119.30(19) . . ?
C2 Os1 C3 35.7(2) . . ?
C3 Os1 Cl1 92.84(19) . . ?
C4 Os1 Cl1 89.50(18) . . ?
C4 Os1 C2 67.0(2) . . ?
C4 Os1 C3 37.9(2) . . ?
C5 Os1 Cl1 114.99(19) . . ?
C5 Os1 C2 78.7(2) . . ?
C5 Os1 C3 66.7(2) . . ?
C5 Os1 C4 37.0(2) . . ?
C6 Os1 Cl1 153.32(17) . . ?
C6 Os1 C1 38.5(2) . . ?
C6 Os1 C2 67.5(3) . . ?
C6 Os1 C3 79.7(2) . . ?
C6 Os1 C4 68.9(2) . . ?
C6 Os1 C5 38.6(2) . . ?
C11 Os1 Cl1 85.44(19) . . ?
C11 Os1 N1 77.1(2) . . ?
C11 Os1 C1 117.2(3) . . ?
C11 Os1 C2 154.3(2) . . ?
C11 Os1 C3 162.0(2) . . ?
C11 Os1 C4 124.1(2) . . ?
C11 Os1 C5 97.9(3) . . ?
C11 Os1 C6 93.8(3) . . ?
C13 O1 C24 117.9(5) . . ?
C21 O2 C25 117.4(5) . . ?
C17 N1 Os1 116.8(5) . . ?
C17 N1 C18 118.6(5) . . ?
C18 N1 Os1 124.5(4) . . ?
C2 C1 Os1 74.0(4) . . ?
C2 C1 C6 117.8(6) . . ?
C2 C1 C7 120.3(6) . . ?
C6 C1 Os1 69.7(4) . . ?
C6 C1 C7 121.8(6) . . ?
C7 C1 Os1 130.2(4) . . ?
Os1 C2 H2 133.6 . . ?
C1 C2 Os1 68.5(3) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 Os1 72.2(4) . . ?
C3 C2 C1 121.7(6) . . ?
C3 C2 H2 119.1 . . ?
Os1 C3 H3 132.1 . . ?
C2 C3 Os1 72.0(4) . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.7(6) . . ?
C4 C3 Os1 69.2(3) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 Os1 72.9(3) . . ?
C3 C4 C10 119.3(6) . . ?
C5 C4 Os1 70.6(4) . . ?
C5 C4 C3 118.2(6) . . ?
C5 C4 C10 122.5(7) . . ?
C10 C4 Os1 127.7(5) . . ?
Os1 C5 H5 131.7 . . ?
C4 C5 Os1 72.4(4) . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.3(6) . . ?
C6 C5 Os1 69.5(4) . . ?
C6 C5 H5 119.3 . . ?
Os1 C6 H6 128.6 . . ?
C1 C6 Os1 71.8(4) . . ?
C1 C6 C5 120.0(6) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 Os1 71.9(4) . . ?
C5 C6 H6 120.0 . . ?
C1 C7 H7 107.3 . . ?
C1 C7 C8 109.2(5) . . ?
C8 C7 H7 107.3 . . ?
C9 C7 C1 113.4(6) . . ?
C9 C7 H7 107.3 . . ?
C9 C7 C8 112.0(7) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Os1 128.7(5) . . ?
C12 C11 C16 117.0(6) . . ?
C16 C11 Os1 114.2(5) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(6) . . ?
C13 C12 H12 119.6 . . ?
O1 C13 C12 115.1(6) . . ?
O1 C13 C14 123.8(6) . . ?
C12 C13 C14 121.1(6) . . ?
C13 C14 H14 120.9 . . ?
C15 C14 C13 118.1(6) . . ?
C15 C14 H14 120.9 . . ?
C14 C15 H15 119.2 . . ?
C14 C15 C16 121.6(6) . . ?
C16 C15 H15 119.2 . . ?
C15 C16 C11 121.3(6) . . ?
C15 C16 C17 124.0(6) . . ?
C17 C16 C11 114.8(6) . . ?
N1 C17 C16 117.0(6) . . ?
N1 C17 H17 121.5 . . ?
C16 C17 H17 121.5 . . ?
C19 C18 N1 120.6(6) . . ?
C23 C18 N1 120.3(6) . . ?
C23 C18 C19 119.1(7) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 121.0(7) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.8(6) . . ?
C21 C20 H20 120.1 . . ?
O2 C21 C20 116.2(6) . . ?
O2 C21 C22 124.1(6) . . ?
C20 C21 C22 119.6(6) . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.6(6) . . ?
C23 C22 H22 120.2 . . ?
C18 C23 C22 120.8(6) . . ?
C18 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
O1 C24 H24A 109.5 . . ?
O1 C24 H24B 109.5 . . ?
O1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O2 C25 H25A 109.5 . . ?
O2 C25 H25B 109.5 . . ?
O2 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

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
_geom_torsion_publ_flag
Os1 N1 C17 C16 3.0(8) . . . . ?
Os1 N1 C18 C19 -136.9(5) . . . . ?
Os1 N1 C18 C23 42.0(8) . . . . ?
Os1 C1 C2 C3 -51.0(6) . . . . ?
Os1 C1 C6 C5 55.3(5) . . . . ?
Os1 C1 C7 C8 -174.5(6) . . . . ?
Os1 C1 C7 C9 59.7(9) . . . . ?
Os1 C2 C3 C4 -51.3(5) . . . . ?
Os1 C3 C4 C5 -56.0(5) . . . . ?
Os1 C3 C4 C10 124.1(6) . . . . ?
Os1 C4 C5 C6 -51.5(5) . . . . ?
Os1 C5 C6 C1 -55.3(5) . . . . ?
Os1 C11 C12 C13 -174.2(5) . . . . ?
Os1 C11 C16 C15 177.7(5) . . . . ?
Os1 C11 C16 C17 -1.4(7) . . . . ?
O1 C13 C14 C15 -179.3(6) . . . . ?
O2 C21 C22 C23 179.1(6) . . . . ?
N1 C18 C19 C20 -179.0(6) . . . . ?
N1 C18 C23 C22 178.3(6) . . . . ?
C1 C2 C3 Os1 49.4(5) . . . . ?
C1 C2 C3 C4 -1.9(10) . . . . ?
C2 C1 C6 Os1 -58.1(5) . . . . ?
C2 C1 C6 C5 -2.8(9) . . . . ?
C2 C1 C7 C8 -80.3(8) . . . . ?
C2 C1 C7 C9 154.0(6) . . . . ?
C2 C3 C4 Os1 52.5(6) . . . . ?
C2 C3 C4 C5 -3.5(9) . . . . ?
C2 C3 C4 C10 176.6(6) . . . . ?
C3 C4 C5 Os1 57.1(5) . . . . ?
C3 C4 C5 C6 5.6(9) . . . . ?
C4 C5 C6 Os1 52.8(6) . . . . ?
C4 C5 C6 C1 -2.5(9) . . . . ?
C6 C1 C2 Os1 56.0(5) . . . . ?
C6 C1 C2 C3 4.9(9) . . . . ?
C6 C1 C7 C8 96.1(7) . . . . ?
C6 C1 C7 C9 -29.7(9) . . . . ?
C7 C1 C2 Os1 -127.5(6) . . . . ?
C7 C1 C2 C3 -178.6(6) . . . . ?
C7 C1 C6 Os1 125.4(6) . . . . ?
C7 C1 C6 C5 -179.2(6) . . . . ?
C10 C4 C5 Os1 -123.0(6) . . . . ?
C10 C4 C5 C6 -174.5(6) . . . . ?
C11 C12 C13 O1 177.8(6) . . . . ?
C11 C12 C13 C14 -4.1(10) . . . . ?
C11 C16 C17 N1 -1.1(9) . . . . ?
C12 C11 C16 C15 0.8(10) . . . . ?
C12 C11 C16 C17 -178.4(6) . . . . ?
C12 C13 C14 C15 2.8(10) . . . . ?
C13 C14 C15 C16 0.2(10) . . . . ?
C14 C15 C16 C11 -2.1(10) . . . . ?
C14 C15 C16 C17 177.0(7) . . . . ?
C15 C16 C17 N1 179.8(6) . . . . ?
C16 C11 C12 C13 2.3(10) . . . . ?
C17 N1 C18 C19 45.8(9) . . . . ?
C17 N1 C18 C23 -135.3(7) . . . . ?
C18 N1 C17 C16 -179.5(6) . . . . ?
C18 C19 C20 C21 -0.7(10) . . . . ?
C19 C18 C23 C22 -2.8(10) . . . . ?
C19 C20 C21 O2 -179.8(6) . . . . ?
C19 C20 C21 C22 0.1(10) . . . . ?
C20 C21 C22 C23 -0.8(10) . . . . ?
C21 C22 C23 C18 2.2(10) . . . . ?
C23 C18 C19 C20 2.1(10) . . . . ?
C24 O1 C13 C12 -172.3(6) . . . . ?
C24 O1 C13 C14 9.7(10) . . . . ?
C25 O2 C21 C20 -175.3(6) . . . . ?
C25 O2 C21 C22 4.7(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Os8
_database_code_depnum_ccdc_archive 'CCDC 2075332'
loop_
_audit_author_name
_audit_author_address
'Yulia Nelyubina'
;AN Nesmeyanov Institute of Organoelement Compounds
Russia
;
_audit_update_record             
;
2021-04-05 deposited with the CCDC.	2021-05-20 downloaded from the CCDC.
;
_audit_creation_date             2021-04-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H16 Cl2 N2 O2 Os'
_chemical_formula_sum            'C26 H16 Cl2 N2 O2 Os'
_chemical_formula_weight         649.51
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   6.961(3)
_cell_length_b                   19.454(7)
_cell_length_c                   16.217(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.607(8)
_cell_angle_gamma                90
_cell_volume                     2185.4(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    287
_cell_measurement_temperature    120
_cell_measurement_theta_max      23.85
_cell_measurement_theta_min      2.44
_shelx_estimated_absorpt_T_max   0.461
_shelx_estimated_absorpt_T_min   0.310
_exptl_absorpt_coefficient_mu    6.108
_exptl_absorpt_correction_T_max  0.4330
_exptl_absorpt_correction_T_min  0.3139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2008/2 (Bruker,2010) was used for absorption correction.

Final HKLF 4 output contains 27519 reflections, Rint = 0.2006
 (2557 with I > 3sig(I), Rint = 0.0597)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.974
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_unetI/netI     0.1504
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5808
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.999
_diffrn_reflns_theta_min         1.639
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3768
_reflns_number_total             5808
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.939
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.264
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5808
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1337
_refine_ls_R_factor_gt           0.0765
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0315P)²+15.5267P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1488
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.7888(15)
 0.2112(15)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C10(H10), C11(H11), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.37763(9) 0.28761(3) 0.81107(4) 0.02655(14) Uani 1 1 d . . . . .
Cl1 Cl 0.5953(5) 0.32276(18) 0.9263(2) 0.0348(8) Uani 1 1 d . . . . .
Cl2 Cl 0.1569(5) 0.27163(17) 0.6893(3) 0.0375(9) Uani 1 1 d . . . . .
O1 O 0.6515(16) 0.1713(5) 0.7864(6) 0.037(3) Uani 1 1 d . . . . .
O2 O 0.1336(16) 0.1969(5) 0.9087(7) 0.042(3) Uani 1 1 d . . . . .
N1 N 0.5202(17) 0.3622(6) 0.7421(7) 0.027(3) Uani 1 1 d . . . . .
N2 N 0.2205(16) 0.3787(6) 0.8306(7) 0.028(3) Uani 1 1 d . . . . .
C1 C 0.445(2) 0.4277(7) 0.7473(9) 0.030(3) Uani 1 1 d . . . . .
C2 C 0.6697(17) 0.3535(7) 0.7011(8) 0.023(3) Uani 1 1 d . . . . .
H2 H 0.7274 0.3092 0.7013 0.028 Uiso 1 1 calc R U . . .
C3 C 0.750(2) 0.4060(7) 0.6569(9) 0.032(3) Uani 1 1 d . . . . .
H3 H 0.8587 0.3967 0.6277 0.039 Uiso 1 1 calc R U . . .
C4 C 0.672(2) 0.4715(7) 0.6553(9) 0.027(3) Uani 1 1 d . . . . .
C5 C 0.518(2) 0.4824(7) 0.7043(8) 0.028(3) Uani 1 1 d . . . . .
C6 C 0.438(2) 0.5499(7) 0.7181(9) 0.027(3) Uani 1 1 d . . . . .
H6 H 0.4885 0.5889 0.6925 0.032 Uiso 1 1 calc R U . . .
C7 C 0.293(2) 0.5582(7) 0.7663(9) 0.028(3) Uani 1 1 d . . . . .
H7 H 0.2415 0.6029 0.7723 0.033 Uiso 1 1 calc R U . . .
C8 C 0.2126(18) 0.5021(6) 0.8092(8) 0.023(3) Uani 1 1 d . . . . .
C9 C 0.061(2) 0.5081(7) 0.8598(9) 0.032(3) Uani 1 1 d . . . . .
C10 C -0.011(2) 0.4465(7) 0.8901(9) 0.031(3) Uani 1 1 d . . . . .
H10 H -0.1167 0.4481 0.9229 0.037 Uiso 1 1 calc R U . . .
C11 C 0.069(2) 0.3838(7) 0.8731(9) 0.027(3) Uani 1 1 d . . . . .
H11 H 0.0130 0.3430 0.8926 0.032 Uiso 1 1 calc R U . . .
C12 C 0.290(2) 0.4358(7) 0.7977(9) 0.027(3) Uani 1 1 d . . . . .
C13 C 0.751(2) 0.5248(7) 0.6031(8) 0.027(3) Uani 1 1 d . . . . .
C14 C 0.628(2) 0.5657(7) 0.5511(9) 0.026(3) Uani 1 1 d . . . . .
H14 H 0.4918 0.5599 0.5491 0.031 Uiso 1 1 calc R U . . .
C15 C 0.707(2) 0.6161(7) 0.5010(9) 0.034(3) Uani 1 1 d . . . . .
H15 H 0.6247 0.6438 0.4645 0.041 Uiso 1 1 calc R U . . .
C16 C 0.898(2) 0.6244(7) 0.5057(10) 0.035(4) Uani 1 1 d . . . . .
H16 H 0.9492 0.6605 0.4749 0.042 Uiso 1 1 calc R U . . .
C17 C 1.024(2) 0.5828(7) 0.5534(10) 0.032(4) Uani 1 1 d . . . . .
H17 H 1.1596 0.5880 0.5525 0.038 Uiso 1 1 calc R U . . .
C18 C 0.950(2) 0.5327(7) 0.6034(9) 0.030(3) Uani 1 1 d . . . . .
H18 H 1.0347 0.5040 0.6375 0.036 Uiso 1 1 calc R U . . .
C19 C -0.032(2) 0.5737(7) 0.8834(9) 0.027(3) Uani 1 1 d . . . . .
C20 C -0.233(2) 0.5792(8) 0.8808(9) 0.033(3) Uani 1 1 d . . . . .
H20 H -0.3117 0.5410 0.8639 0.040 Uiso 1 1 calc R U . . .
C21 C -0.316(2) 0.6393(8) 0.9025(9) 0.034(3) Uani 1 1 d . . . . .
H21 H -0.4518 0.6424 0.9025 0.040 Uiso 1 1 calc R U . . .
C22 C -0.201(2) 0.6956(7) 0.9245(8) 0.034(4) Uani 1 1 d . . . . .
H22 H -0.2595 0.7382 0.9367 0.041 Uiso 1 1 calc R U . . .
C23 C -0.007(2) 0.6903(7) 0.9286(10) 0.038(4) Uani 1 1 d . . . . .
H23 H 0.0694 0.7289 0.9465 0.045 Uiso 1 1 calc R U . . .
C24 C 0.083(2) 0.6311(7) 0.9079(9) 0.029(3) Uani 1 1 d . . . . .
H24 H 0.2197 0.6287 0.9099 0.035 Uiso 1 1 calc R U . . .
C25 C 0.5440(19) 0.2139(8) 0.7929(8) 0.030(3) Uani 1 1 d . . . . .
C26 C 0.230(2) 0.2297(6) 0.8733(10) 0.029(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.388(4) . ?
Os1 Cl2 2.400(4) . ?
Os1 N1 2.134(11) . ?
Os1 N2 2.123(11) . ?
Os1 C25 1.884(17) . ?
Os1 C26 1.884(15) . ?
O1 C25 1.129(17) . ?
O2 C26 1.122(16) . ?
N1 C1 1.385(17) . ?
N1 C2 1.299(17) . ?
N2 C11 1.320(18) . ?
N2 C12 1.343(16) . ?
C1 C5 1.396(19) . ?
C1 C12 1.422(19) . ?
C2 H2 0.9500 . ?
C2 C3 1.395(19) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(18) . ?
C4 C5 1.414(19) . ?
C4 C13 1.48(2) . ?
C5 C6 1.452(19) . ?
C6 H6 0.9500 . ?
C6 C7 1.345(19) . ?
C7 H7 0.9500 . ?
C7 C8 1.435(18) . ?
C8 C9 1.401(19) . ?
C8 C12 1.418(17) . ?
C9 C10 1.408(19) . ?
C9 C19 1.499(19) . ?
C10 H10 0.9500 . ?
C10 C11 1.379(19) . ?
C11 H11 0.9500 . ?
C13 C14 1.392(18) . ?
C13 C18 1.39(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.419(19) . ?
C15 H15 0.9500 . ?
C15 C16 1.34(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.37(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.400(19) . ?
C18 H18 0.9500 . ?
C19 C20 1.40(2) . ?
C19 C24 1.409(18) . ?
C20 H20 0.9500 . ?
C20 C21 1.366(19) . ?
C21 H21 0.9500 . ?
C21 C22 1.38(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.35(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.370(19) . ?
C24 H24 0.9500 . ?

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
Cl1 Os1 Cl2 170.72(12) . . ?
N1 Os1 Cl1 85.6(3) . . ?
N1 Os1 Cl2 87.1(3) . . ?
N2 Os1 Cl1 86.6(3) . . ?
N2 Os1 Cl2 86.2(3) . . ?
N2 Os1 N1 77.5(5) . . ?
C25 Os1 Cl1 89.3(4) . . ?
C25 Os1 Cl2 97.3(4) . . ?
C25 Os1 N1 96.4(5) . . ?
C25 Os1 N2 172.9(5) . . ?
C25 Os1 C26 90.3(5) . . ?
C26 Os1 Cl1 95.2(4) . . ?
C26 Os1 Cl2 91.4(4) . . ?
C26 Os1 N1 173.3(5) . . ?
C26 Os1 N2 95.9(5) . . ?
C1 N1 Os1 113.3(9) . . ?
C2 N1 Os1 128.1(9) . . ?
C2 N1 C1 118.6(12) . . ?
C11 N2 Os1 126.2(10) . . ?
C11 N2 C12 119.0(12) . . ?
C12 N2 Os1 114.8(9) . . ?
N1 C1 C5 120.9(14) . . ?
N1 C1 C12 116.7(12) . . ?
C5 C1 C12 122.4(13) . . ?
N1 C2 H2 118.4 . . ?
N1 C2 C3 123.2(12) . . ?
C3 C2 H2 118.4 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(14) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 C5 116.4(14) . . ?
C3 C4 C13 119.5(13) . . ?
C5 C4 C13 124.1(13) . . ?
C1 C5 C4 120.0(14) . . ?
C1 C5 C6 116.7(13) . . ?
C4 C5 C6 123.1(13) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 C5 121.2(12) . . ?
C7 C6 H6 119.4 . . ?
C6 C7 H7 118.7 . . ?
C6 C7 C8 122.7(12) . . ?
C8 C7 H7 118.7 . . ?
C9 C8 C7 124.7(12) . . ?
C9 C8 C12 118.1(12) . . ?
C12 C8 C7 117.2(12) . . ?
C8 C9 C10 116.6(13) . . ?
C8 C9 C19 126.2(13) . . ?
C10 C9 C19 117.2(13) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.3(14) . . ?
C11 C10 H10 119.3 . . ?
N2 C11 C10 121.9(14) . . ?
N2 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
N2 C12 C1 117.4(12) . . ?
N2 C12 C8 122.9(12) . . ?
C8 C12 C1 119.7(12) . . ?
C14 C13 C4 120.5(13) . . ?
C18 C13 C4 120.0(13) . . ?
C18 C13 C14 119.5(14) . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.4(14) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 120.2 . . ?
C16 C15 C14 119.5(15) . . ?
C16 C15 H15 120.2 . . ?
C15 C16 H16 118.7 . . ?
C15 C16 C17 122.5(15) . . ?
C17 C16 H16 118.7 . . ?
C16 C17 H17 120.5 . . ?
C16 C17 C18 119.0(14) . . ?
C18 C17 H17 120.5 . . ?
C13 C18 C17 120.0(15) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C9 121.1(13) . . ?
C20 C19 C24 119.2(13) . . ?
C24 C19 C9 119.7(13) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(14) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 119.9(15) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0(14) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 118.9 . . ?
C22 C23 C24 122.2(15) . . ?
C24 C23 H23 118.9 . . ?
C19 C24 H24 120.9 . . ?
C23 C24 C19 118.3(14) . . ?
C23 C24 H24 120.9 . . ?
O1 C25 Os1 175.4(12) . . ?
O2 C26 Os1 176.5(13) . . ?

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
_geom_torsion_publ_flag
Os1 N1 C1 C5 -178.5(11) . . . . ?
Os1 N1 C1 C12 1.1(16) . . . . ?
Os1 N1 C2 C3 179.0(10) . . . . ?
Os1 N2 C11 C10 172.7(11) . . . . ?
Os1 N2 C12 C1 6.4(16) . . . . ?
Os1 N2 C12 C8 -175.5(11) . . . . ?
N1 C1 C5 C4 -1(2) . . . . ?
N1 C1 C5 C6 -176.1(13) . . . . ?
N1 C1 C12 N2 -5(2) . . . . ?
N1 C1 C12 C8 176.8(13) . . . . ?
N1 C2 C3 C4 1(2) . . . . ?
C1 N1 C2 C3 -5(2) . . . . ?
C1 C5 C6 C7 -4(2) . . . . ?
C2 N1 C1 C5 5(2) . . . . ?
C2 N1 C1 C12 -175.5(13) . . . . ?
C2 C3 C4 C5 4(2) . . . . ?
C2 C3 C4 C13 -175.6(13) . . . . ?
C3 C4 C5 C1 -4(2) . . . . ?
C3 C4 C5 C6 171.6(13) . . . . ?
C3 C4 C13 C14 132.3(15) . . . . ?
C3 C4 C13 C18 -45(2) . . . . ?
C4 C5 C6 C7 -178.9(14) . . . . ?
C4 C13 C14 C15 -179.4(13) . . . . ?
C4 C13 C18 C17 179.4(12) . . . . ?
C5 C1 C12 N2 174.6(13) . . . . ?
C5 C1 C12 C8 -4(2) . . . . ?
C5 C4 C13 C14 -47(2) . . . . ?
C5 C4 C13 C18 135.5(15) . . . . ?
C5 C6 C7 C8 2(2) . . . . ?
C6 C7 C8 C9 -179.7(14) . . . . ?
C6 C7 C8 C12 -1(2) . . . . ?
C7 C8 C9 C10 173.9(14) . . . . ?
C7 C8 C9 C19 -5(2) . . . . ?
C7 C8 C12 N2 -176.3(13) . . . . ?
C7 C8 C12 C1 2(2) . . . . ?
C8 C9 C10 C11 2(2) . . . . ?
C8 C9 C19 C20 135.1(16) . . . . ?
C8 C9 C19 C24 -44(2) . . . . ?
C9 C8 C12 N2 2(2) . . . . ?
C9 C8 C12 C1 -179.5(13) . . . . ?
C9 C10 C11 N2 3(2) . . . . ?
C9 C19 C20 C21 180.0(13) . . . . ?
C9 C19 C24 C23 179.7(14) . . . . ?
C10 C9 C19 C20 -44(2) . . . . ?
C10 C9 C19 C24 136.8(15) . . . . ?
C11 N2 C12 C1 -175.6(13) . . . . ?
C11 N2 C12 C8 3(2) . . . . ?
C12 N2 C11 C10 -5(2) . . . . ?
C12 C1 C5 C4 179.8(14) . . . . ?
C12 C1 C5 C6 4(2) . . . . ?
C12 C8 C9 C10 -5(2) . . . . ?
C12 C8 C9 C19 176.4(14) . . . . ?
C13 C4 C5 C1 175.7(13) . . . . ?
C13 C4 C5 C6 -9(2) . . . . ?
C13 C14 C15 C16 -1(2) . . . . ?
C14 C13 C18 C17 2(2) . . . . ?
C14 C15 C16 C17 4(2) . . . . ?
C15 C16 C17 C18 -4(2) . . . . ?
C16 C17 C18 C13 1(2) . . . . ?
C18 C13 C14 C15 -2(2) . . . . ?
C19 C9 C10 C11 -178.6(13) . . . . ?
C19 C20 C21 C22 2(2) . . . . ?
C20 C19 C24 C23 0(2) . . . . ?
C20 C21 C22 C23 -3(2) . . . . ?
C21 C22 C23 C24 3(2) . . . . ?
C22 C23 C24 C19 -2(2) . . . . ?
C24 C19 C20 C21 -1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.7888(15)
2 0.2112(15)

