# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_no2s
_database_code_depnum_ccdc_archive 'CCDC 2151718'
loop_
_audit_author_name
_audit_author_address
'Wang Li-Xin'
;Yangtze University
China
;
_audit_update_record             
;
2022-02-13 deposited with the CCDC.	2022-06-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C47 H34 Cl2 N5 O6 Os P'
_chemical_formula_weight         1056.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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                   13.9692(7)
_cell_length_b                   13.1008(5)
_cell_length_c                   23.5542(10)
_cell_angle_alpha                90
_cell_angle_beta                 105.841(5)
_cell_angle_gamma                90
_cell_volume                     4146.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    5696
_cell_measurement_theta_min      2.1760
_cell_measurement_theta_max      28.6780

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_F_000             2096
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    3.301
_shelx_estimated_absorpt_T_min   0.693
_shelx_estimated_absorpt_T_max   0.713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.751
_exptl_absorpt_correction_T_max  1.243
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 5.2684
_diffrn_reflns_number            17922
_diffrn_reflns_av_unetI/netI     0.1199
_diffrn_reflns_av_R_equivalents  0.1106
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.962
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_full        25.009
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7314
_reflns_number_gt                4931
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+9.6467P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7314
_refine_ls_number_parameters     559
_refine_ls_number_restraints     1656
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0546
_refine_ls_wR_factor_ref         0.1395
_refine_ls_wR_factor_gt          0.1196
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      0.954
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.24096(2) 0.75201(2) 0.62626(2) 0.01820(13) Uani 1 1 d . U . . .
P1 P 0.75093(16) 0.35123(15) 0.76316(9) 0.0212(5) Uani 1 1 d . U . . .
Cl1 Cl 0.3856(2) 0.2094(2) 0.53110(13) 0.0593(8) Uani 1 1 d . U . . .
Cl2 Cl 0.3229(3) 0.0448(2) 0.44725(13) 0.0723(9) Uani 1 1 d . U . . .
O6 O 0.0712(4) 0.6680(4) 0.6718(3) 0.0349(15) Uani 1 1 d . U . . .
N2 N 0.3754(6) 0.7452(5) 0.7592(3) 0.0264(17) Uani 1 1 d . U . . .
N3 N 0.4148(5) 0.8505(6) 0.5756(3) 0.0323(17) Uani 1 1 d . U . . .
N4 N 0.1511(5) 0.7736(5) 0.5389(3) 0.0205(11) Uani 1 1 d . U . . .
N5 N 0.2982(5) 0.6194(5) 0.6129(3) 0.0264(12) Uani 1 1 d . U . . .
H5A H 0.3218 0.6210 0.5828 0.032 Uiso 1 1 calc R U . . .
N6 N 0.1249(5) 1.2348(5) 0.4909(3) 0.0246(14) Uani 1 1 d . U . . .
O1 O 0.2013(4) 0.8996(4) 0.6414(2) 0.0213(10) Uani 1 1 d . U . . .
O2 O 0.0717(4) 0.8568(4) 0.4567(2) 0.0191(10) Uani 1 1 d . U . . .
O3 O 0.0811(5) 1.2221(4) 0.4381(3) 0.0360(15) Uani 1 1 d . U . . .
O4 O 0.1528(5) 1.3179(4) 0.5130(3) 0.0366(15) Uani 1 1 d . U . . .
O5 O 0.4097(5) 0.4766(5) 0.5775(3) 0.0456(16) Uani 1 1 d . U . . .
C1 C 0.3275(6) 0.7474(6) 0.7106(4) 0.0229(15) Uani 1 1 d . U . . .
C2 C 0.1351(6) 0.6978(6) 0.6529(4) 0.0255(15) Uani 1 1 d . U . . .
C3 C 0.3543(6) 0.8181(6) 0.5956(3) 0.0206(14) Uani 1 1 d . U . . .
C4 C 0.3097(6) 0.5280(6) 0.6387(4) 0.0269(15) Uani 1 1 d . U . . .
C5 C 0.2696(6) 0.5022(6) 0.6869(4) 0.0285(14) Uani 1 1 d . U . . .
H5 H 0.2286 0.5478 0.6995 0.034 Uiso 1 1 calc R U . . .
C6 C 0.2924(6) 0.4104(6) 0.7136(4) 0.0322(16) Uani 1 1 d . U . . .
H6 H 0.2667 0.3940 0.7450 0.039 Uiso 1 1 calc R U . . .
C7 C 0.3540(7) 0.3383(7) 0.6956(4) 0.0347(17) Uani 1 1 d . U . . .
H7 H 0.3687 0.2770 0.7160 0.042 Uiso 1 1 calc R U . . .
C8 C 0.3912(7) 0.3561(7) 0.6504(4) 0.0365(16) Uani 1 1 d . U . . .
H8 H 0.4292 0.3061 0.6387 0.044 Uiso 1 1 calc R U . . .
C9 C 0.3731(7) 0.4545(7) 0.6183(4) 0.0337(17) Uani 1 1 d . U . . .
C10 C 0.1260(6) 0.8631(6) 0.5150(3) 0.0181(12) Uani 1 1 d . U . . .
C11 C 0.1475(6) 0.9631(6) 0.5414(3) 0.0199(13) Uani 1 1 d . U . . .
C12 C 0.1833(6) 0.9756(6) 0.6033(3) 0.0197(13) Uani 1 1 d . U . . .
C13 C 0.1981(6) 1.0756(6) 0.6253(3) 0.0203(14) Uani 1 1 d . U . . .
H13 H 0.2211 1.0851 0.6659 0.024 Uiso 1 1 calc R U . . .
C14 C 0.1803(6) 1.1593(6) 0.5898(3) 0.0206(14) Uani 1 1 d . U . . .
H14 H 0.1912 1.2248 0.6055 0.025 Uiso 1 1 calc R U . . .
C15 C 0.1452(6) 1.1437(6) 0.5291(3) 0.0208(14) Uani 1 1 d . U . . .
C16 C 0.1268(6) 1.0497(6) 0.5052(3) 0.0221(14) Uani 1 1 d . U . . .
H16 H 0.1004 1.0424 0.4646 0.027 Uiso 1 1 calc R U . . .
C17 C 0.1095(6) 0.6998(6) 0.4954(3) 0.0197(13) Uani 1 1 d . U . . .
C18 C 0.1100(6) 0.5941(6) 0.4950(3) 0.0208(14) Uani 1 1 d . U . . .
H18 H 0.1422 0.5572 0.5285 0.025 Uiso 1 1 calc R U . . .
C19 C 0.0616(6) 0.5457(6) 0.4437(3) 0.0229(15) Uani 1 1 d . U . . .
H19 H 0.0619 0.4748 0.4420 0.027 Uiso 1 1 calc R U . . .
C20 C 0.0112(6) 0.6022(6) 0.3934(3) 0.0232(16) Uani 1 1 d . U . . .
H20 H -0.0235 0.5673 0.3596 0.028 Uiso 1 1 calc R U . . .
C21 C 0.0116(6) 0.7067(6) 0.3926(3) 0.0215(15) Uani 1 1 d . U . . .
H21 H -0.0192 0.7440 0.3590 0.026 Uiso 1 1 calc R U . . .
C22 C 0.0607(6) 0.7529(5) 0.4449(3) 0.0190(14) Uani 1 1 d . U . . .
C23 C 0.4180(9) 0.0932(8) 0.5050(5) 0.060(3) Uani 1 1 d . U . . .
H23A H 0.4772 0.1026 0.4916 0.072 Uiso 1 1 calc R U . . .
H23B H 0.4336 0.0441 0.5371 0.072 Uiso 1 1 calc R U . . .
C24 C 0.6490(6) 0.4219(6) 0.7767(3) 0.0218(13) Uani 1 1 d . U . . .
C25 C 0.6134(6) 0.5073(6) 0.7421(3) 0.0223(14) Uani 1 1 d . U . . .
H25 H 0.6427 0.5269 0.7127 0.027 Uiso 1 1 calc R U . . .
C26 C 0.5341(6) 0.5635(6) 0.7511(3) 0.0245(14) Uani 1 1 d . U . . .
H26 H 0.5112 0.6212 0.7285 0.029 Uiso 1 1 calc R U . . .
C27 C 0.4901(6) 0.5327(6) 0.7941(3) 0.0227(15) Uani 1 1 d . U . . .
H27 H 0.4366 0.5694 0.7999 0.027 Uiso 1 1 calc R U . . .
C28 C 0.5243(6) 0.4487(6) 0.8281(4) 0.0254(15) Uani 1 1 d . U . . .
H28 H 0.4944 0.4296 0.8573 0.030 Uiso 1 1 calc R U . . .
C29 C 0.6043(6) 0.3910(6) 0.8195(3) 0.0235(15) Uani 1 1 d . U . . .
H29 H 0.6265 0.3331 0.8422 0.028 Uiso 1 1 calc R U . . .
C30 C 0.7760(7) 0.2453(6) 0.8126(4) 0.0238(13) Uani 1 1 d . U . . .
C31 C 0.7017(7) 0.1720(6) 0.8109(4) 0.0267(14) Uani 1 1 d . U . . .
H31 H 0.6427 0.1733 0.7808 0.032 Uiso 1 1 calc R U . . .
C32 C 0.7170(7) 0.0984(6) 0.8541(4) 0.0286(17) Uani 1 1 d . U . . .
H32 H 0.6667 0.0520 0.8542 0.034 Uiso 1 1 calc R U . . .
C33 C 0.8075(7) 0.0928(6) 0.8980(4) 0.0292(17) Uani 1 1 d . U . . .
H33 H 0.8171 0.0432 0.9272 0.035 Uiso 1 1 calc R U . . .
C34 C 0.8827(7) 0.1614(6) 0.8977(4) 0.0346(18) Uani 1 1 d . U . . .
H34 H 0.9440 0.1554 0.9257 0.042 Uiso 1 1 calc R U . . .
C35 C 0.8677(7) 0.2391(6) 0.8559(4) 0.0270(15) Uani 1 1 d . U . . .
H35 H 0.9177 0.2864 0.8567 0.032 Uiso 1 1 calc R U . . .
C36 C 0.8579(6) 0.4335(6) 0.7782(3) 0.0212(13) Uani 1 1 d . U . . .
C37 C 0.8628(6) 0.5144(6) 0.8173(3) 0.0246(14) Uani 1 1 d . U . . .
H37 H 0.8091 0.5283 0.8323 0.030 Uiso 1 1 calc R U . . .
C38 C 0.9479(6) 0.5740(6) 0.8339(4) 0.0280(17) Uani 1 1 d . U . . .
H38 H 0.9503 0.6284 0.8596 0.034 Uiso 1 1 calc R U . . .
C39 C 1.0284(7) 0.5541(6) 0.8131(4) 0.0282(17) Uani 1 1 d . U . . .
H39 H 1.0856 0.5938 0.8249 0.034 Uiso 1 1 calc R U . . .
C40 C 1.0232(6) 0.4732(6) 0.7738(4) 0.0284(17) Uani 1 1 d . U . . .
H40 H 1.0768 0.4604 0.7586 0.034 Uiso 1 1 calc R U . . .
C41 C 0.9403(6) 0.4123(6) 0.7574(4) 0.0262(15) Uani 1 1 d . U . . .
H41 H 0.9390 0.3570 0.7325 0.031 Uiso 1 1 calc R U . . .
C42 C 0.7204(6) 0.3068(6) 0.6883(3) 0.0241(14) Uani 1 1 d . U . . .
C43 C 0.6451(7) 0.3472(6) 0.6430(4) 0.0292(15) Uani 1 1 d . U . . .
H43 H 0.6045 0.3984 0.6510 0.035 Uiso 1 1 calc R U . . .
C44 C 0.6297(7) 0.3119(6) 0.5858(4) 0.0327(17) Uani 1 1 d . U . . .
H44 H 0.5795 0.3401 0.5555 0.039 Uiso 1 1 calc R U . . .
C45 C 0.6874(7) 0.2367(6) 0.5740(4) 0.0319(18) Uani 1 1 d . U . . .
H45 H 0.6761 0.2131 0.5355 0.038 Uiso 1 1 calc R U . . .
C46 C 0.7636(7) 0.1938(7) 0.6184(4) 0.0291(17) Uani 1 1 d . U . . .
H46 H 0.8026 0.1419 0.6097 0.035 Uiso 1 1 calc R U . . .
C47 C 0.7808(7) 0.2292(6) 0.6757(4) 0.0246(14) Uani 1 1 d . U . . .
H47 H 0.8320 0.2017 0.7057 0.030 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 C2 1.895(9) . ?
Os1 N5 1.974(6) . ?
Os1 C1 2.025(8) . ?
Os1 O1 2.069(5) . ?
Os1 C3 2.098(9) . ?
Os1 N4 2.117(6) . ?
P1 C30 1.785(8) . ?
P1 C42 1.795(8) . ?
P1 C24 1.798(8) . ?
P1 C36 1.798(8) . ?
Cl1 C23 1.747(11) . ?
Cl2 C23 1.742(11) . ?
O6 C2 1.167(10) . ?
N2 C1 1.158(10) . ?
N3 C3 1.156(10) . ?
N4 C10 1.306(9) . ?
N4 C17 1.414(10) . ?
N5 C4 1.332(10) . ?
N6 O4 1.225(8) . ?
N6 O3 1.237(8) . ?
N6 C15 1.475(10) . ?
O1 C12 1.318(9) . ?
O2 C10 1.378(8) . ?
O2 C22 1.389(8) . ?
O5 C9 1.238(11) . ?
C4 C5 1.436(12) . ?
C4 C9 1.475(12) . ?
C5 C6 1.354(11) . ?
C6 C7 1.419(12) . ?
C7 C8 1.327(13) . ?
C8 C9 1.481(12) . ?
C10 C11 1.445(11) . ?
C11 C16 1.401(10) . ?
C11 C12 1.416(10) . ?
C12 C13 1.403(10) . ?
C13 C14 1.360(10) . ?
C14 C15 1.395(10) . ?
C15 C16 1.349(10) . ?
C17 C22 1.384(10) . ?
C17 C18 1.385(11) . ?
C18 C19 1.369(10) . ?
C19 C20 1.412(10) . ?
C20 C21 1.370(11) . ?
C21 C22 1.376(10) . ?
C24 C29 1.385(11) . ?
C24 C25 1.394(11) . ?
C25 C26 1.394(11) . ?
C26 C27 1.380(11) . ?
C27 C28 1.368(11) . ?
C28 C29 1.409(11) . ?
C30 C35 1.405(12) . ?
C30 C31 1.406(11) . ?
C31 C32 1.375(11) . ?
C32 C33 1.400(12) . ?
C33 C34 1.383(12) . ?
C34 C35 1.391(11) . ?
C36 C37 1.393(10) . ?
C36 C41 1.396(11) . ?
C37 C38 1.386(11) . ?
C38 C39 1.370(12) . ?
C39 C40 1.394(11) . ?
C40 C41 1.372(11) . ?
C42 C43 1.383(11) . ?
C42 C47 1.403(12) . ?
C43 C44 1.384(11) . ?
C44 C45 1.350(12) . ?
C45 C46 1.390(12) . ?
C46 C47 1.384(11) . ?

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
C2 Os1 N5 96.3(3) . . ?
C2 Os1 C1 88.5(3) . . ?
N5 Os1 C1 88.3(3) . . ?
C2 Os1 O1 91.3(3) . . ?
N5 Os1 O1 171.7(2) . . ?
C1 Os1 O1 88.6(3) . . ?
C2 Os1 C3 177.4(3) . . ?
N5 Os1 C3 86.1(3) . . ?
C1 Os1 C3 92.6(3) . . ?
O1 Os1 C3 86.4(3) . . ?
C2 Os1 N4 93.6(3) . . ?
N5 Os1 N4 97.0(3) . . ?
C1 Os1 N4 174.0(3) . . ?
O1 Os1 N4 85.8(2) . . ?
C3 Os1 N4 85.0(3) . . ?
C30 P1 C42 110.0(4) . . ?
C30 P1 C24 108.0(4) . . ?
C42 P1 C24 110.7(4) . . ?
C30 P1 C36 109.5(4) . . ?
C42 P1 C36 110.5(4) . . ?
C24 P1 C36 108.2(4) . . ?
C10 N4 C17 107.0(6) . . ?
C10 N4 Os1 123.8(5) . . ?
C17 N4 Os1 129.1(5) . . ?
C4 N5 Os1 136.3(6) . . ?
O4 N6 O3 124.0(7) . . ?
O4 N6 C15 118.3(7) . . ?
O3 N6 C15 117.7(7) . . ?
C12 O1 Os1 126.8(5) . . ?
C10 O2 C22 105.0(5) . . ?
N2 C1 Os1 178.7(8) . . ?
O6 C2 Os1 176.4(8) . . ?
N3 C3 Os1 175.6(7) . . ?
N5 C4 C5 123.2(8) . . ?
N5 C4 C9 116.5(8) . . ?
C5 C4 C9 120.2(8) . . ?
C6 C5 C4 118.9(9) . . ?
C5 C6 C7 122.5(9) . . ?
C8 C7 C6 121.7(9) . . ?
C7 C8 C9 120.9(9) . . ?
O5 C9 C4 120.8(8) . . ?
O5 C9 C8 123.4(9) . . ?
C4 C9 C8 115.8(8) . . ?
N4 C10 O2 112.6(6) . . ?
N4 C10 C11 129.0(7) . . ?
O2 C10 C11 118.4(6) . . ?
C16 C11 C12 119.3(7) . . ?
C16 C11 C10 119.2(7) . . ?
C12 C11 C10 121.4(7) . . ?
O1 C12 C13 118.2(7) . . ?
O1 C12 C11 124.2(7) . . ?
C13 C12 C11 117.6(7) . . ?
C14 C13 C12 122.8(7) . . ?
C13 C14 C15 117.8(7) . . ?
C16 C15 C14 122.4(7) . . ?
C16 C15 N6 120.0(7) . . ?
C14 C15 N6 117.6(7) . . ?
C15 C16 C11 120.0(7) . . ?
C22 C17 C18 119.9(7) . . ?
C22 C17 N4 106.7(7) . . ?
C18 C17 N4 133.4(7) . . ?
C19 C18 C17 117.8(7) . . ?
C18 C19 C20 120.7(7) . . ?
C21 C20 C19 122.1(7) . . ?
C20 C21 C22 115.6(7) . . ?
C21 C22 C17 123.8(7) . . ?
C21 C22 O2 127.7(7) . . ?
C17 C22 O2 108.6(6) . . ?
Cl2 C23 Cl1 112.1(6) . . ?
C29 C24 C25 120.1(8) . . ?
C29 C24 P1 121.0(6) . . ?
C25 C24 P1 118.9(6) . . ?
C24 C25 C26 120.4(8) . . ?
C27 C26 C25 119.3(7) . . ?
C28 C27 C26 120.7(8) . . ?
C27 C28 C29 120.8(8) . . ?
C24 C29 C28 118.8(7) . . ?
C35 C30 C31 120.1(8) . . ?
C35 C30 P1 119.7(6) . . ?
C31 C30 P1 120.0(6) . . ?
C32 C31 C30 119.5(8) . . ?
C31 C32 C33 120.6(8) . . ?
C34 C33 C32 119.8(8) . . ?
C33 C34 C35 120.7(9) . . ?
C34 C35 C30 119.1(8) . . ?
C37 C36 C41 119.1(8) . . ?
C37 C36 P1 118.3(6) . . ?
C41 C36 P1 122.1(6) . . ?
C38 C37 C36 119.9(8) . . ?
C39 C38 C37 121.1(8) . . ?
C38 C39 C40 118.9(8) . . ?
C41 C40 C39 121.0(8) . . ?
C40 C41 C36 119.9(8) . . ?
C43 C42 C47 119.3(8) . . ?
C43 C42 P1 124.1(7) . . ?
C47 C42 P1 116.6(6) . . ?
C42 C43 C44 120.4(8) . . ?
C45 C44 C43 120.0(9) . . ?
C44 C45 C46 121.2(9) . . ?
C47 C46 C45 119.4(9) . . ?
C46 C47 C42 119.6(8) . . ?

_refine_diff_density_max         2.184
_refine_diff_density_min         -1.502
_refine_diff_density_rms         0.167

####################################################################### 
# 
# 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_1_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2151719'
loop_
_audit_author_name
_audit_author_address
'Wang Li-Xin'
;Yangtze University
China
;
_audit_update_record             
;
2022-02-13 deposited with the CCDC.	2022-06-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H53 N7 O6 Os'
_chemical_formula_weight         906.08

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   33.5994(16)
_cell_length_b                   12.6388(5)
_cell_length_c                   26.0050(12)
_cell_angle_alpha                90
_cell_angle_beta                 126.4560(10)
_cell_angle_gamma                90
_cell_volume                     8882.2(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9943
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      26.27

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_F_000             3680
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    2.919
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5378
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro focus'
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            66109
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.283
_diffrn_reflns_theta_max         26.409
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9119
_reflns_number_gt                7103
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'Bruker Apex3'
_computing_cell_refinement       'Bruker Saint'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0411P)²+36.0169P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9119
_refine_ls_number_parameters     484
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.0949
_refine_ls_wR_factor_gt          0.0854
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.67356(2) 0.37129(2) 0.57265(2) 0.03325(7) Uani 1 1 d . . . . .
O1 O 0.70174(12) 0.2278(2) 0.61682(14) 0.0345(7) Uani 1 1 d . . . . .
O2 O 0.68130(13) 0.1851(3) 0.44231(15) 0.0431(8) Uani 1 1 d . . . . .
O3 O 0.81316(14) -0.0660(3) 0.54770(18) 0.0525(9) Uani 1 1 d . . . . .
O4 O 0.84997(16) -0.1069(3) 0.6469(2) 0.0628(11) Uani 1 1 d . . . . .
O5 O 0.50370(14) 0.7869(3) 0.4734(2) 0.0574(10) Uani 1 1 d . . . . .
H5 H 0.487157 0.765373 0.486015 0.086 Uiso 1 1 calc R U . . .
N1 N 0.56328(17) 0.2951(3) 0.5140(2) 0.0503(11) Uani 1 1 d . . . . .
N2 N 0.68848(18) 0.4518(4) 0.6983(2) 0.0546(12) Uani 1 1 d . . . . .
N3 N 0.78164(17) 0.4424(3) 0.6180(2) 0.0475(11) Uani 1 1 d . . . . .
N4 N 0.64950(15) 0.5057(3) 0.53161(18) 0.0371(9) Uani 1 1 d . . . . .
H4 H 0.665769 0.529454 0.517151 0.045 Uiso 1 1 calc R U . . .
N5 N 0.66521(14) 0.2980(3) 0.49342(17) 0.0334(8) Uani 1 1 d . . . . .
N6 N 0.81955(17) -0.0555(3) 0.5995(2) 0.0453(10) Uani 1 1 d . . . . .
C1 C 0.6030(2) 0.3228(4) 0.5365(2) 0.0391(11) Uani 1 1 d . . . . .
C2 C 0.68313(18) 0.4230(4) 0.6530(2) 0.0382(11) Uani 1 1 d . . . . .
C3 C 0.7434(2) 0.4166(4) 0.6034(2) 0.0384(11) Uani 1 1 d . . . . .
C4 C 0.61296(18) 0.5746(3) 0.5191(2) 0.0362(10) Uani 1 1 d . . . . .
C5 C 0.58597(18) 0.5602(4) 0.5437(2) 0.0394(11) Uani 1 1 d . . . . .
H5A H 0.593039 0.501795 0.570889 0.047 Uiso 1 1 calc R U . . .
C6 C 0.54924(18) 0.6303(4) 0.5287(2) 0.0412(11) Uani 1 1 d . . . . .
H6 H 0.530780 0.619717 0.545183 0.049 Uiso 1 1 calc R U . . .
C7 C 0.53897(19) 0.7167(4) 0.4895(3) 0.0443(12) Uani 1 1 d . . . . .
C8 C 0.56609(19) 0.7325(4) 0.4650(3) 0.0468(13) Uani 1 1 d . . . . .
H8 H 0.559244 0.791923 0.438547 0.056 Uiso 1 1 calc R U . . .
C9 C 0.60221(19) 0.6629(4) 0.4791(2) 0.0425(11) Uani 1 1 d . . . . .
H9 H 0.620294 0.673532 0.462107 0.051 Uiso 1 1 calc R U . . .
C10 C 0.63258(18) 0.3205(4) 0.4278(2) 0.0390(11) Uani 1 1 d . . . . .
C11 C 0.5947(2) 0.3940(4) 0.3926(2) 0.0470(12) Uani 1 1 d . . . . .
H11 H 0.585643 0.440929 0.412610 0.056 Uiso 1 1 calc R U . . .
C12 C 0.5710(2) 0.3955(5) 0.3277(3) 0.0640(17) Uani 1 1 d . . . . .
H12 H 0.545449 0.445592 0.302285 0.077 Uiso 1 1 calc R U . . .
C13 C 0.5837(3) 0.3252(6) 0.2984(3) 0.0721(19) Uani 1 1 d . . . . .
H13 H 0.566298 0.328960 0.253306 0.087 Uiso 1 1 calc R U . . .
C14 C 0.6207(2) 0.2500(5) 0.3323(3) 0.0614(17) Uani 1 1 d . . . . .
H14 H 0.629228 0.201755 0.312287 0.074 Uiso 1 1 calc R U . . .
C15 C 0.6439(2) 0.2511(4) 0.3971(2) 0.0455(12) Uani 1 1 d . . . . .
C16 C 0.69207(17) 0.2179(4) 0.4990(2) 0.0333(10) Uani 1 1 d . . . . .
C17 C 0.72826(17) 0.1579(3) 0.5552(2) 0.0315(9) Uani 1 1 d . . . . .
C18 C 0.75738(17) 0.0840(3) 0.5517(2) 0.0340(10) Uani 1 1 d . . . . .
H18 H 0.755227 0.077375 0.513701 0.041 Uiso 1 1 calc R U . . .
C19 C 0.78900(18) 0.0212(4) 0.6032(2) 0.0362(10) Uani 1 1 d . . . . .
C20 C 0.79189(19) 0.0260(4) 0.6589(2) 0.0389(11) Uani 1 1 d . . . . .
H20 H 0.814153 -0.018448 0.694181 0.047 Uiso 1 1 calc R U . . .
C21 C 0.76222(18) 0.0957(3) 0.6620(2) 0.0357(10) Uani 1 1 d . . . . .
H21 H 0.763410 0.097334 0.699423 0.043 Uiso 1 1 calc R U . . .
C22 C 0.72985(17) 0.1654(4) 0.6112(2) 0.0337(10) Uani 1 1 d . . . . .
N7 N 0.63794(18) 0.1008(4) 0.6973(2) 0.0557(12) Uani 1 1 d . . . . .
C23 C 0.6005(3) 0.1542(5) 0.6991(3) 0.0668(17) Uani 1 1 d . . . . .
H23A H 0.609368 0.147122 0.742661 0.080 Uiso 1 1 calc R U . . .
H23B H 0.568501 0.117439 0.669374 0.080 Uiso 1 1 calc R U . . .
C24 C 0.5930(3) 0.2732(6) 0.6813(4) 0.080(2) Uani 1 1 d . . . . .
H24A H 0.625330 0.309758 0.708952 0.096 Uiso 1 1 calc R U . . .
H24B H 0.581582 0.280559 0.636484 0.096 Uiso 1 1 calc R U . . .
C25 C 0.5571(3) 0.3260(7) 0.6880(4) 0.106(3) Uani 1 1 d . . . . .
H25A H 0.569706 0.321614 0.733375 0.128 Uiso 1 1 calc R U . . .
H25B H 0.525606 0.285956 0.662582 0.128 Uiso 1 1 calc R U . . .
C26 C 0.5459(4) 0.4418(7) 0.6674(5) 0.122(4) Uani 1 1 d . . . . .
H26A H 0.536205 0.448599 0.623850 0.183 Uiso 1 1 calc R U . . .
H26B H 0.575452 0.484608 0.696612 0.183 Uiso 1 1 calc R U . . .
H26C H 0.518793 0.466389 0.668662 0.183 Uiso 1 1 calc R U . . .
C27 C 0.6873(2) 0.1598(5) 0.7388(3) 0.0628(16) Uani 1 1 d . . . . .
H27A H 0.712972 0.116800 0.741110 0.075 Uiso 1 1 calc R U . . .
H27B H 0.684274 0.227123 0.717262 0.075 Uiso 1 1 calc R U . . .
C28 C 0.7045(2) 0.1839(5) 0.8045(3) 0.0625(16) Uani 1 1 d . . . . .
H28A H 0.704430 0.118656 0.825509 0.075 Uiso 1 1 calc R U . . .
H28B H 0.681984 0.235771 0.803512 0.075 Uiso 1 1 calc R U . . .
C29 C 0.7578(2) 0.2301(5) 0.8429(3) 0.0720(19) Uani 1 1 d . . . . .
H29A H 0.780492 0.177612 0.844853 0.086 Uiso 1 1 calc R U . . .
H29B H 0.758037 0.294433 0.821363 0.086 Uiso 1 1 calc R U . . .
C30 C 0.7751(3) 0.2577(6) 0.9107(3) 0.088(2) Uani 1 1 d . . . . .
H30A H 0.753100 0.311415 0.908511 0.132 Uiso 1 1 calc R U . . .
H30B H 0.808948 0.285303 0.935337 0.132 Uiso 1 1 calc R U . . .
H30C H 0.774285 0.193995 0.931533 0.132 Uiso 1 1 calc R U . . .
C31 C 0.6439(2) -0.0109(5) 0.7233(3) 0.0605(15) Uani 1 1 d . . . . .
H31A H 0.654112 -0.005818 0.767616 0.073 Uiso 1 1 calc R U . . .
H31B H 0.611270 -0.046586 0.697328 0.073 Uiso 1 1 calc R U . . .
C32 C 0.6812(3) -0.0793(5) 0.7234(3) 0.0695(17) Uani 1 1 d . . . . .
H32A H 0.714777 -0.050463 0.754859 0.083 Uiso 1 1 calc R U . . .
H32B H 0.674117 -0.075943 0.680668 0.083 Uiso 1 1 calc R U . . .
C33 C 0.6800(3) -0.1963(5) 0.7401(3) 0.074(2) Uani 1 1 d . . . . .
H33A H 0.709713 -0.232788 0.749501 0.088 Uiso 1 1 calc R U . . .
H33B H 0.681409 -0.198774 0.779193 0.088 Uiso 1 1 calc R U . . .
C34 C 0.6341(4) -0.2552(6) 0.6868(4) 0.124(4) Uani 1 1 d . . . . .
H34A H 0.633303 -0.256240 0.648499 0.186 Uiso 1 1 calc R U . . .
H34B H 0.604470 -0.219380 0.677043 0.186 Uiso 1 1 calc R U . . .
H34C H 0.634956 -0.327932 0.700465 0.186 Uiso 1 1 calc R U . . .
C35 C 0.6248(3) 0.0933(5) 0.6311(3) 0.0651(17) Uani 1 1 d . . . . .
H35A H 0.654683 0.070099 0.635089 0.078 Uiso 1 1 calc R U . . .
H35B H 0.616503 0.165295 0.612416 0.078 Uiso 1 1 calc R U . . .
C36 C 0.5829(3) 0.0207(5) 0.5847(3) 0.0709(18) Uani 1 1 d . . . . .
H36A H 0.553261 0.040260 0.582163 0.085 Uiso 1 1 calc R U . . .
H36B H 0.591982 -0.052771 0.600928 0.085 Uiso 1 1 calc R U . . .
C37 C 0.5699(3) 0.0248(5) 0.5169(3) 0.078(2) Uani 1 1 d . . . . .
H37A H 0.542894 -0.026003 0.489052 0.093 Uiso 1 1 calc R U . . .
H37B H 0.557800 0.096518 0.498946 0.093 Uiso 1 1 calc R U . . .
C38 C 0.6136(3) -0.0013(9) 0.5169(5) 0.126(4) Uani 1 1 d . . . . .
H38A H 0.602834 -0.006709 0.472761 0.188 Uiso 1 1 calc R U . . .
H38B H 0.627983 -0.068899 0.538872 0.188 Uiso 1 1 calc R U . . .
H38C H 0.638563 0.054641 0.539171 0.188 Uiso 1 1 calc R U . . .
O6 O 0.8608(4) 0.5560(7) 0.6287(5) 0.183(4) Uani 1 1 d . U . . .
H6A H 0.838828 0.520316 0.627516 0.220 Uiso 1 1 d R U . . .
C39 C 0.8392(7) 0.6311(9) 0.5812(8) 0.212(8) Uani 1 1 d . U . . .
H39A H 0.839194 0.606424 0.545526 0.318 Uiso 1 1 calc R U . . .
H39B H 0.857816 0.697392 0.598006 0.318 Uiso 1 1 calc R U . . .
H39C H 0.804998 0.643071 0.566253 0.318 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 N4 1.912(4) . ?
Os1 C2 2.025(5) . ?
Os1 O1 2.052(3) . ?
Os1 C1 2.057(6) . ?
Os1 C3 2.059(5) . ?
Os1 N5 2.120(4) . ?
O1 C22 1.305(5) . ?
O2 C16 1.357(5) . ?
O2 C15 1.379(6) . ?
O3 N6 1.238(5) . ?
O4 N6 1.220(5) . ?
O5 C7 1.333(6) . ?
O5 H5 0.8400 . ?
N1 C1 1.148(6) . ?
N2 C2 1.140(6) . ?
N3 C3 1.151(6) . ?
N4 C4 1.377(6) . ?
N4 H4 0.8800 . ?
N5 C16 1.306(6) . ?
N5 C10 1.405(6) . ?
N6 C19 1.457(6) . ?
C4 C5 1.397(7) . ?
C4 C9 1.419(7) . ?
C5 C6 1.374(7) . ?
C5 H5A 0.9500 . ?
C6 C7 1.390(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.402(7) . ?
C8 C9 1.361(7) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C15 1.382(7) . ?
C10 C11 1.391(7) . ?
C11 C12 1.374(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.374(7) . ?
C14 H14 0.9500 . ?
C16 C17 1.441(6) . ?
C17 C18 1.394(6) . ?
C17 C22 1.428(6) . ?
C18 C19 1.365(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(6) . ?
C20 C21 1.368(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.413(6) . ?
C21 H21 0.9500 . ?
N7 C23 1.453(8) . ?
N7 C35 1.505(7) . ?
N7 C31 1.527(7) . ?
N7 C27 1.531(8) . ?
C23 C24 1.550(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.480(11) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.526(13) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.475(8) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.554(9) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.532(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.520(9) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.548(9) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.521(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.505(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.544(9) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.506(11) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
O6 C39 1.374(15) . ?
O6 H6A 0.8500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 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
N4 Os1 C2 92.54(18) . . ?
N4 Os1 O1 177.83(14) . . ?
C2 Os1 O1 88.29(16) . . ?
N4 Os1 C1 91.10(18) . . ?
C2 Os1 C1 90.05(19) . . ?
O1 Os1 C1 90.91(16) . . ?
N4 Os1 C3 88.61(18) . . ?
C2 Os1 C3 93.66(18) . . ?
O1 Os1 C3 89.33(16) . . ?
C1 Os1 C3 176.29(18) . . ?
N4 Os1 N5 94.48(15) . . ?
C2 Os1 N5 172.87(17) . . ?
O1 Os1 N5 84.75(13) . . ?
C1 Os1 N5 88.55(17) . . ?
C3 Os1 N5 87.79(16) . . ?
C22 O1 Os1 126.5(3) . . ?
C16 O2 C15 105.1(4) . . ?
C7 O5 H5 109.5 . . ?
C4 N4 Os1 135.7(3) . . ?
C4 N4 H4 112.2 . . ?
Os1 N4 H4 112.2 . . ?
C16 N5 C10 106.2(4) . . ?
C16 N5 Os1 123.2(3) . . ?
C10 N5 Os1 130.5(3) . . ?
O4 N6 O3 122.8(4) . . ?
O4 N6 C19 119.1(4) . . ?
O3 N6 C19 118.1(4) . . ?
N1 C1 Os1 177.3(4) . . ?
N2 C2 Os1 179.8(5) . . ?
N3 C3 Os1 177.2(4) . . ?
N4 C4 C5 122.7(4) . . ?
N4 C4 C9 118.2(4) . . ?
C5 C4 C9 119.1(4) . . ?
C6 C5 C4 120.3(4) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?
C5 C6 C7 120.3(5) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
O5 C7 C6 122.7(5) . . ?
O5 C7 C8 117.4(5) . . ?
C6 C7 C8 120.0(5) . . ?
C9 C8 C7 120.1(5) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C8 C9 C4 120.3(5) . . ?
C8 C9 H9 119.9 . . ?
C4 C9 H9 119.9 . . ?
C15 C10 C11 120.2(5) . . ?
C15 C10 N5 106.8(4) . . ?
C11 C10 N5 133.0(4) . . ?
C12 C11 C10 116.8(5) . . ?
C12 C11 H11 121.6 . . ?
C10 C11 H11 121.6 . . ?
C11 C12 C13 121.5(5) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C14 C13 C12 122.6(5) . . ?
C14 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
C15 C14 C13 114.5(5) . . ?
C15 C14 H14 122.7 . . ?
C13 C14 H14 122.7 . . ?
C14 C15 O2 127.3(5) . . ?
C14 C15 C10 124.3(5) . . ?
O2 C15 C10 108.4(4) . . ?
N5 C16 O2 113.4(4) . . ?
N5 C16 C17 129.1(4) . . ?
O2 C16 C17 117.4(4) . . ?
C18 C17 C22 120.5(4) . . ?
C18 C17 C16 119.2(4) . . ?
C22 C17 C16 119.8(4) . . ?
C19 C18 C17 119.5(4) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C18 C19 C20 121.9(4) . . ?
C18 C19 N6 119.3(4) . . ?
C20 C19 N6 118.8(4) . . ?
C21 C20 C19 119.1(4) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C22 121.9(4) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 H21 119.1 . . ?
O1 C22 C21 118.5(4) . . ?
O1 C22 C17 124.3(4) . . ?
C21 C22 C17 117.1(4) . . ?
C23 N7 C35 113.3(5) . . ?
C23 N7 C31 107.7(5) . . ?
C35 N7 C31 108.7(5) . . ?
C23 N7 C27 110.4(5) . . ?
C35 N7 C27 107.1(5) . . ?
C31 N7 C27 109.7(5) . . ?
N7 C23 C24 115.5(6) . . ?
N7 C23 H23A 108.4 . . ?
C24 C23 H23A 108.4 . . ?
N7 C23 H23B 108.4 . . ?
C24 C23 H23B 108.4 . . ?
H23A C23 H23B 107.5 . . ?
C25 C24 C23 113.6(7) . . ?
C25 C24 H24A 108.8 . . ?
C23 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
C23 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
C24 C25 C26 116.1(9) . . ?
C24 C25 H25A 108.3 . . ?
C26 C25 H25A 108.3 . . ?
C24 C25 H25B 108.3 . . ?
C26 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 N7 115.6(5) . . ?
C28 C27 H27A 108.4 . . ?
N7 C27 H27A 108.4 . . ?
C28 C27 H27B 108.4 . . ?
N7 C27 H27B 108.4 . . ?
H27A C27 H27B 107.4 . . ?
C27 C28 C29 109.3(6) . . ?
C27 C28 H28A 109.8 . . ?
C29 C28 H28A 109.8 . . ?
C27 C28 H28B 109.8 . . ?
C29 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C30 C29 C28 109.2(6) . . ?
C30 C29 H29A 109.8 . . ?
C28 C29 H29A 109.8 . . ?
C30 C29 H29B 109.8 . . ?
C28 C29 H29B 109.8 . . ?
H29A C29 H29B 108.3 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 N7 114.7(5) . . ?
C32 C31 H31A 108.6 . . ?
N7 C31 H31A 108.6 . . ?
C32 C31 H31B 108.6 . . ?
N7 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C31 C32 C33 112.7(6) . . ?
C31 C32 H32A 109.1 . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32B 109.1 . . ?
C33 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C34 C33 C32 113.2(6) . . ?
C34 C33 H33A 108.9 . . ?
C32 C33 H33A 108.9 . . ?
C34 C33 H33B 108.9 . . ?
C32 C33 H33B 108.9 . . ?
H33A C33 H33B 107.8 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N7 C35 C36 117.0(5) . . ?
N7 C35 H35A 108.0 . . ?
C36 C35 H35A 108.0 . . ?
N7 C35 H35B 108.0 . . ?
C36 C35 H35B 108.0 . . ?
H35A C35 H35B 107.3 . . ?
C35 C36 C37 113.0(6) . . ?
C35 C36 H36A 109.0 . . ?
C37 C36 H36A 109.0 . . ?
C35 C36 H36B 109.0 . . ?
C37 C36 H36B 109.0 . . ?
H36A C36 H36B 107.8 . . ?
C38 C37 C36 112.2(7) . . ?
C38 C37 H37A 109.2 . . ?
C36 C37 H37A 109.2 . . ?
C38 C37 H37B 109.2 . . ?
C36 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C39 O6 H6A 110.4 . . ?
O6 C39 H39A 109.5 . . ?
O6 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
O6 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

_refine_diff_density_max         1.163
_refine_diff_density_min         -1.510
_refine_diff_density_rms         0.099



