# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_207-28_sq
_database_code_depnum_ccdc_archive 'CCDC 1943588'
loop_
_audit_author_name
_audit_author_address
'Jing xiang'
;yangtze university
China
;
_audit_update_record             
;
2019-07-27 deposited with the CCDC.	2020-02-17 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            'C45 H37 N7 O4 Os P'
_chemical_formula_weight         960.98

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'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   7.81300(10)
_cell_length_b                   15.5610(3)
_cell_length_c                   17.9993(5)
_cell_angle_alpha                83.827(2)
_cell_angle_beta                 83.232(2)
_cell_angle_gamma                79.233(2)
_cell_volume                     2126.60(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    13069
_cell_measurement_theta_min      3.8410
_cell_measurement_theta_max      27.7820

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_F_000             958
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    3.086
_shelx_estimated_absorpt_T_min   0.790
_shelx_estimated_absorpt_T_max   0.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.78286
_exptl_absorpt_correction_T_max  1.00000
_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            31574
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.335
_diffrn_reflns_theta_max         25.006
_diffrn_reflns_theta_full        25.006
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7482
_reflns_number_gt                6883
_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       '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)+(0.0503P)²+39.1728P] 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         7482
_refine_ls_number_parameters     523
_refine_ls_number_restraints     1584
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.1055
_refine_ls_wR_factor_gt          0.1022
_refine_ls_goodness_of_fit_ref   0.786
_refine_ls_restrained_S_all      0.716
_refine_ls_shift/su_max          0.002
_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 0.63900(3) 0.74611(2) 0.69315(2) 0.01516(9) Uani 1 1 d . U . . .
P1 P 0.5981(2) 0.21424(11) 0.75997(9) 0.0197(3) Uani 1 1 d . U . . .
C1 C 0.7850(8) 0.6686(4) 0.6122(4) 0.0194(13) Uani 1 1 d . U . . .
C2 C 0.6734(8) 0.8563(4) 0.6275(3) 0.0179(12) Uani 1 1 d . U . . .
C3 C 0.5182(8) 0.8220(4) 0.7777(4) 0.0188(12) Uani 1 1 d . U . . .
C4 C 0.1823(8) 0.7447(5) 0.5885(4) 0.0238(14) Uani 1 1 d . U . . .
H4A H 0.0626 0.7539 0.6118 0.029 Uiso 1 1 calc R U . . .
H4B H 0.2252 0.6820 0.5891 0.029 Uiso 1 1 calc R U . . .
C5 C 0.1894(9) 0.7866(5) 0.5083(4) 0.0258(14) Uani 1 1 d . U . . .
H5A H 0.1151 0.7616 0.4802 0.031 Uiso 1 1 calc R U . . .
H5B H 0.3084 0.7741 0.4846 0.031 Uiso 1 1 calc R U . . .
C6 C 0.1291(9) 0.8850(5) 0.5065(4) 0.0272(15) Uani 1 1 d . U . . .
H6A H 0.0063 0.8974 0.5254 0.033 Uiso 1 1 calc R U . . .
H6B H 0.1410 0.9107 0.4551 0.033 Uiso 1 1 calc R U . . .
C7 C 0.2355(9) 0.9264(5) 0.5539(4) 0.0251(14) Uani 1 1 d . U . . .
H7A H 0.3548 0.9220 0.5306 0.030 Uiso 1 1 calc R U . . .
H7B H 0.1860 0.9882 0.5561 0.030 Uiso 1 1 calc R U . . .
C8 C 0.2363(9) 0.8814(4) 0.6334(4) 0.0242(13) Uani 1 1 d . U . . .
H8A H 0.3153 0.9043 0.6607 0.029 Uiso 1 1 calc R U . . .
H8B H 0.1198 0.8932 0.6597 0.029 Uiso 1 1 calc R U . . .
C9 C 0.9323(7) 0.7182(4) 0.7969(3) 0.0136(11) Uani 1 1 d . U . . .
C10 C 1.0864(8) 0.7447(4) 0.8136(3) 0.0185(12) Uani 1 1 d . U . . .
H10 H 1.1392 0.7827 0.7788 0.022 Uiso 1 1 calc R U . . .
C11 C 1.1603(8) 0.7164(4) 0.8790(3) 0.0176(12) Uani 1 1 d . U . . .
H11 H 1.2606 0.7353 0.8891 0.021 Uiso 1 1 calc R U . . .
C12 C 1.0808(8) 0.6584(4) 0.9299(3) 0.0165(12) Uani 1 1 d . U . . .
C13 C 0.9315(8) 0.6296(4) 0.9164(3) 0.0158(12) Uani 1 1 d . U . . .
H13 H 0.8822 0.5905 0.9515 0.019 Uiso 1 1 calc R U . . .
C14 C 0.8546(8) 0.6593(4) 0.8500(3) 0.0150(11) Uani 1 1 d . U . . .
C15 C 0.7068(7) 0.6237(4) 0.8355(3) 0.0150(11) Uani 1 1 d . U . . .
C16 C 0.5125(7) 0.5387(4) 0.8595(3) 0.0161(12) Uani 1 1 d . U . . .
C17 C 0.4113(8) 0.4779(4) 0.8928(4) 0.0203(13) Uani 1 1 d . U . . .
H17 H 0.4230 0.4513 0.9412 0.024 Uiso 1 1 calc R U . . .
C18 C 0.2913(8) 0.4598(4) 0.8482(4) 0.0238(14) Uani 1 1 d . U . . .
H18 H 0.2174 0.4206 0.8676 0.029 Uiso 1 1 calc R U . . .
C19 C 0.2784(8) 0.4986(4) 0.7754(4) 0.0250(14) Uani 1 1 d . U . . .
H19 H 0.1985 0.4833 0.7471 0.030 Uiso 1 1 calc R U . . .
C20 C 0.3811(8) 0.5599(4) 0.7434(4) 0.0211(13) Uani 1 1 d . U . . .
H20 H 0.3715 0.5860 0.6947 0.025 Uiso 1 1 calc R U . . .
C21 C 0.4984(7) 0.5794(4) 0.7884(3) 0.0155(11) Uani 1 1 d . U . . .
C22 C 0.8045(10) 0.4148(5) 0.6447(4) 0.0295(15) Uani 1 1 d . U . . .
H22 H 0.8178 0.4386 0.5952 0.035 Uiso 1 1 calc R U . . .
C23 C 0.8734(8) 0.4487(4) 0.7003(4) 0.0232(13) Uani 1 1 d . U . . .
H23 H 0.9346 0.4949 0.6877 0.028 Uiso 1 1 calc R U . . .
C24 C 0.8527(8) 0.4151(4) 0.7737(4) 0.0209(13) Uani 1 1 d . U . . .
H24 H 0.8997 0.4385 0.8105 0.025 Uiso 1 1 calc R U . . .
C25 C 0.7620(8) 0.3465(4) 0.7932(4) 0.0220(13) Uani 1 1 d . U . . .
H25 H 0.7460 0.3243 0.8431 0.026 Uiso 1 1 calc R U . . .
C26 C 0.6944(9) 0.3106(4) 0.7375(4) 0.0217(13) Uani 1 1 d . U . . .
C27 C 0.7164(9) 0.3457(5) 0.6632(4) 0.0266(14) Uani 1 1 d . U . . .
H27 H 0.6712 0.3222 0.6260 0.032 Uiso 1 1 calc R U . . .
C28 C 0.3497(9) 0.2723(5) 0.6606(4) 0.0282(14) Uani 1 1 d . U . . .
H28 H 0.3310 0.3248 0.6832 0.034 Uiso 1 1 calc R U . . .
C29 C 0.4747(8) 0.2024(4) 0.6855(3) 0.0196(12) Uani 1 1 d . U . . .
C30 C 0.5029(8) 0.1235(4) 0.6516(4) 0.0213(13) Uani 1 1 d . U . . .
H30 H 0.5853 0.0760 0.6677 0.026 Uiso 1 1 calc R U . . .
C31 C 0.4041(8) 0.1180(5) 0.5932(4) 0.0248(14) Uani 1 1 d . U . . .
H31 H 0.4218 0.0661 0.5699 0.030 Uiso 1 1 calc R U . . .
C32 C 0.2820(9) 0.1871(5) 0.5694(4) 0.0300(15) Uani 1 1 d . U . . .
H32 H 0.2177 0.1818 0.5304 0.036 Uiso 1 1 calc R U . . .
C33 C 0.2538(9) 0.2649(5) 0.6032(4) 0.0291(15) Uani 1 1 d . U . . .
H33 H 0.1703 0.3119 0.5872 0.035 Uiso 1 1 calc R U . . .
C34 C 0.4565(9) 0.2166(4) 0.8470(4) 0.0267(14) Uani 1 1 d . U . . .
C35 C 0.5329(9) 0.2067(5) 0.9143(4) 0.0279(14) Uani 1 1 d . U . . .
H35 H 0.6534 0.2020 0.9140 0.033 Uiso 1 1 calc R U . . .
C36 C 0.4267(10) 0.2037(5) 0.9819(4) 0.0327(16) Uani 1 1 d . U . . .
H36 H 0.4761 0.1983 1.0271 0.039 Uiso 1 1 calc R U . . .
C37 C 0.2508(10) 0.2089(5) 0.9821(4) 0.0366(17) Uani 1 1 d . U . . .
H37 H 0.1810 0.2047 1.0275 0.044 Uiso 1 1 calc R U . . .
C38 C 0.1759(10) 0.2202(5) 0.9155(5) 0.0406(18) Uani 1 1 d . U . . .
H38 H 0.0553 0.2251 0.9162 0.049 Uiso 1 1 calc R U . . .
C39 C 0.2778(9) 0.2243(5) 0.8478(4) 0.0291(15) Uani 1 1 d . U . . .
H39 H 0.2263 0.2323 0.8030 0.035 Uiso 1 1 calc R U . . .
C40 C 0.7714(9) 0.1217(4) 0.7722(4) 0.0230(13) Uani 1 1 d . U . . .
C41 C 0.9458(9) 0.1289(5) 0.7505(4) 0.0279(14) Uani 1 1 d . U . . .
H41 H 0.9736 0.1813 0.7266 0.033 Uiso 1 1 calc R U . . .
C42 C 1.0765(9) 0.0584(5) 0.7644(4) 0.0327(16) Uani 1 1 d . U . . .
H42 H 1.1928 0.0631 0.7499 0.039 Uiso 1 1 calc R U . . .
C43 C 1.0353(9) -0.0190(5) 0.7999(4) 0.0324(16) Uani 1 1 d . U . . .
H43 H 1.1242 -0.0656 0.8115 0.039 Uiso 1 1 calc R U . . .
C44 C 0.8622(10) -0.0275(5) 0.8184(4) 0.0365(17) Uani 1 1 d . U . . .
H44 H 0.8349 -0.0813 0.8391 0.044 Uiso 1 1 calc R U . . .
C45 C 0.7297(9) 0.0429(5) 0.8062(4) 0.0319(15) Uani 1 1 d . U . . .
H45 H 0.6136 0.0377 0.8207 0.038 Uiso 1 1 calc R U . . .
N1 N 0.6897(7) 0.9213(4) 0.5926(3) 0.0228(12) Uani 1 1 d . U . . .
N2 N 0.8687(8) 0.6258(4) 0.5685(3) 0.0315(14) Uani 1 1 d . U . . .
N3 N 0.4575(8) 0.8636(4) 0.8268(3) 0.0307(14) Uani 1 1 d . U . . .
N4 N 0.6234(6) 0.6362(3) 0.7751(3) 0.0142(10) Uani 1 1 d . U . . .
N5 N 0.4342(7) 0.7432(4) 0.6519(3) 0.0207(11) Uani 1 1 d . U . . .
N6 N 0.2934(7) 0.7859(4) 0.6303(3) 0.0198(11) Uani 1 1 d . U . . .
N7 N 1.1523(7) 0.6293(4) 1.0004(3) 0.0214(11) Uani 1 1 d . U . . .
O1 O 0.8736(5) 0.7495(3) 0.7325(2) 0.0177(9) Uani 1 1 d . U . . .
O2 O 0.6451(5) 0.5660(3) 0.8889(2) 0.0168(9) Uani 1 1 d . U . . .
O3 O 1.0780(6) 0.5813(3) 1.0471(2) 0.0260(10) Uani 1 1 d . U . . .
O4 O 1.2896(7) 0.6531(3) 1.0111(3) 0.0329(12) Uani 1 1 d . 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 N5 1.852(5) . ?
Os1 C2 2.017(7) . ?
Os1 O1 2.053(4) . ?
Os1 C3 2.057(7) . ?
Os1 C1 2.086(7) . ?
Os1 N4 2.147(5) . ?
P1 C29 1.785(6) . ?
P1 C26 1.788(7) . ?
P1 C40 1.797(7) . ?
P1 C34 1.808(7) . ?
C1 N2 1.148(9) . ?
C2 N1 1.152(8) . ?
C3 N3 1.155(9) . ?
C4 N6 1.482(8) . ?
C4 C5 1.518(9) . ?
C5 C6 1.513(10) . ?
C6 C7 1.524(9) . ?
C7 C8 1.524(9) . ?
C8 N6 1.474(8) . ?
C9 O1 1.308(7) . ?
C9 C10 1.417(8) . ?
C9 C14 1.415(8) . ?
C10 C11 1.365(9) . ?
C11 C12 1.392(9) . ?
C12 C13 1.380(8) . ?
C12 N7 1.442(8) . ?
C13 C14 1.397(8) . ?
C14 C15 1.432(8) . ?
C15 N4 1.311(8) . ?
C15 O2 1.351(7) . ?
C16 C21 1.372(9) . ?
C16 O2 1.370(7) . ?
C16 C17 1.388(9) . ?
C17 C18 1.389(9) . ?
C18 C19 1.389(10) . ?
C19 C20 1.393(9) . ?
C20 C21 1.387(9) . ?
C21 N4 1.419(7) . ?
C22 C23 1.385(10) . ?
C22 C27 1.374(10) . ?
C23 C24 1.370(9) . ?
C24 C25 1.382(9) . ?
C25 C26 1.397(9) . ?
C26 C27 1.392(9) . ?
C28 C33 1.371(10) . ?
C28 C29 1.393(9) . ?
C29 C30 1.398(9) . ?
C30 C31 1.394(9) . ?
C31 C32 1.365(10) . ?
C32 C33 1.382(10) . ?
C34 C39 1.377(10) . ?
C34 C35 1.394(10) . ?
C35 C36 1.391(10) . ?
C36 C37 1.361(11) . ?
C37 C38 1.375(11) . ?
C38 C39 1.378(11) . ?
C40 C45 1.388(10) . ?
C40 C41 1.394(9) . ?
C41 C42 1.375(10) . ?
C42 C43 1.376(11) . ?
C43 C44 1.382(11) . ?
C44 C45 1.378(10) . ?
N5 N6 1.256(7) . ?
N7 O3 1.230(7) . ?
N7 O4 1.240(7) . ?

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
N5 Os1 C2 91.2(2) . . ?
N5 Os1 O1 176.6(2) . . ?
C2 Os1 O1 86.8(2) . . ?
N5 Os1 C3 94.9(2) . . ?
C2 Os1 C3 89.5(2) . . ?
O1 Os1 C3 87.9(2) . . ?
N5 Os1 C1 90.9(2) . . ?
C2 Os1 C1 90.8(2) . . ?
O1 Os1 C1 86.3(2) . . ?
C3 Os1 C1 174.2(2) . . ?
N5 Os1 N4 96.5(2) . . ?
C2 Os1 N4 171.2(2) . . ?
O1 Os1 N4 85.69(17) . . ?
C3 Os1 N4 85.6(2) . . ?
C1 Os1 N4 93.4(2) . . ?
C29 P1 C26 108.9(3) . . ?
C29 P1 C40 111.1(3) . . ?
C26 P1 C40 108.1(3) . . ?
C29 P1 C34 109.0(3) . . ?
C26 P1 C34 113.2(3) . . ?
C40 P1 C34 106.4(3) . . ?
N2 C1 Os1 178.4(6) . . ?
N1 C2 Os1 177.0(6) . . ?
N3 C3 Os1 176.8(6) . . ?
N6 C4 C5 108.0(5) . . ?
C4 C5 C6 110.8(6) . . ?
C5 C6 C7 111.3(5) . . ?
C8 C7 C6 111.3(6) . . ?
N6 C8 C7 109.6(5) . . ?
O1 C9 C10 117.0(5) . . ?
O1 C9 C14 124.8(5) . . ?
C10 C9 C14 118.2(5) . . ?
C11 C10 C9 122.5(6) . . ?
C10 C11 C12 117.9(6) . . ?
C13 C12 C11 122.3(6) . . ?
C13 C12 N7 118.3(5) . . ?
C11 C12 N7 119.3(5) . . ?
C12 C13 C14 119.8(6) . . ?
C13 C14 C9 119.3(5) . . ?
C13 C14 C15 118.3(5) . . ?
C9 C14 C15 122.2(5) . . ?
N4 C15 O2 113.3(5) . . ?
N4 C15 C14 128.9(5) . . ?
O2 C15 C14 117.7(5) . . ?
C21 C16 O2 108.4(5) . . ?
C21 C16 C17 124.2(6) . . ?
O2 C16 C17 127.3(6) . . ?
C18 C17 C16 114.7(6) . . ?
C17 C18 C19 121.9(6) . . ?
C18 C19 C20 122.3(6) . . ?
C21 C20 C19 116.0(6) . . ?
C16 C21 C20 120.9(6) . . ?
C16 C21 N4 107.2(5) . . ?
C20 C21 N4 131.9(6) . . ?
C23 C22 C27 119.5(6) . . ?
C24 C23 C22 120.9(6) . . ?
C23 C24 C25 120.1(6) . . ?
C24 C25 C26 119.7(6) . . ?
C27 C26 C25 119.4(6) . . ?
C27 C26 P1 120.1(5) . . ?
C25 C26 P1 120.2(5) . . ?
C22 C27 C26 120.4(6) . . ?
C33 C28 C29 120.9(7) . . ?
C30 C29 C28 119.6(6) . . ?
C30 C29 P1 120.5(5) . . ?
C28 C29 P1 119.8(5) . . ?
C29 C30 C31 118.2(6) . . ?
C32 C31 C30 121.4(6) . . ?
C31 C32 C33 120.2(6) . . ?
C28 C33 C32 119.6(7) . . ?
C39 C34 C35 120.1(7) . . ?
C39 C34 P1 121.4(5) . . ?
C35 C34 P1 118.4(5) . . ?
C34 C35 C36 119.2(7) . . ?
C37 C36 C35 120.3(7) . . ?
C36 C37 C38 120.2(7) . . ?
C37 C38 C39 120.7(7) . . ?
C38 C39 C34 119.5(7) . . ?
C45 C40 C41 120.0(6) . . ?
C45 C40 P1 118.8(5) . . ?
C41 C40 P1 121.1(5) . . ?
C42 C41 C40 119.9(7) . . ?
C41 C42 C43 120.1(7) . . ?
C42 C43 C44 120.1(7) . . ?
C45 C44 C43 120.5(7) . . ?
C44 C45 C40 119.3(7) . . ?
C15 N4 C21 105.3(5) . . ?
C15 N4 Os1 122.7(4) . . ?
C21 N4 Os1 130.0(4) . . ?
N6 N5 Os1 146.9(5) . . ?
N5 N6 C8 124.6(5) . . ?
N5 N6 C4 120.8(5) . . ?
C8 N6 C4 114.0(5) . . ?
O3 N7 O4 122.4(5) . . ?
O3 N7 C12 119.6(5) . . ?
O4 N7 C12 117.9(5) . . ?
C9 O1 Os1 130.2(4) . . ?
C15 O2 C16 105.8(5) . . ?

_refine_diff_density_max         1.505
_refine_diff_density_min         -1.048
_refine_diff_density_rms         0.123



####################################################################### 
# 
# 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_exp_1610
_database_code_depnum_ccdc_archive 'CCDC 1943589'
loop_
_audit_author_name
_audit_author_address
'Jing xiang'
;yangtze university
China
;
_audit_update_record             
;
2019-07-27 deposited with the CCDC.	2020-02-17 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            'C44 H35 N7 O4 Os P'
_chemical_formula_weight         946.96

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'
P P 0.1023 0.0942 '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           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                   7.7510(5)
_cell_length_b                   34.110(2)
_cell_length_c                   16.1795(12)
_cell_angle_alpha                90
_cell_angle_beta                 101.349(7)
_cell_angle_gamma                90
_cell_volume                     4194.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    119.99(10)
_cell_measurement_reflns_used    3512
_cell_measurement_theta_min      2.1980
_cell_measurement_theta_max      25.5730

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_F_000             1884
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    3.129
_shelx_estimated_absorpt_T_min   0.788
_shelx_estimated_absorpt_T_max   0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.65653
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      119.99(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 10.5368
_diffrn_reflns_number            16644
_diffrn_reflns_av_unetI/netI     0.1383
_diffrn_reflns_av_R_equivalents  0.0824
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.204
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.008
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.971
_reflns_number_total             7188
_reflns_number_gt                4876
_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)+(0.1095P)²+79.2050P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0011(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7188
_refine_ls_number_parameters     515
_refine_ls_number_restraints     1590
_refine_ls_R_factor_all          0.1444
_refine_ls_R_factor_gt           0.1025
_refine_ls_wR_factor_ref         0.2789
_refine_ls_wR_factor_gt          0.2471
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.001

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 0.92327(9) 0.34811(2) 0.73297(4) 0.0340(3) Uani 1 1 d . U . . .
P1 P 0.4892(6) 0.60978(14) 0.8230(3) 0.0349(10) Uani 1 1 d . U . . .
C1 C 0.734(2) 0.3250(5) 0.6391(11) 0.035(3) Uani 1 1 d . U . . .
C2 C 0.883(2) 0.3072(5) 0.8163(12) 0.043(3) Uani 1 1 d . U . . .
C3 C 1.094(2) 0.3779(6) 0.8224(13) 0.043(3) Uani 1 1 d . U . . .
C4 C 1.297(4) 0.2629(8) 0.6775(18) 0.088(5) Uani 1 1 d . U . . .
H4A H 1.3396 0.2747 0.6308 0.106 Uiso 1 1 calc R U . . .
H4B H 1.2165 0.2415 0.6578 0.106 Uiso 1 1 calc R U . . .
C5 C 1.453(4) 0.2506(9) 0.7552(19) 0.096(5) Uani 1 1 d . U . . .
H5A H 1.4720 0.2226 0.7524 0.116 Uiso 1 1 calc R U . . .
H5B H 1.5603 0.2636 0.7478 0.116 Uiso 1 1 calc R U . . .
C6 C 1.424(4) 0.2596(8) 0.8353(19) 0.093(5) Uani 1 1 d . U . . .
H6A H 1.5341 0.2626 0.8751 0.112 Uiso 1 1 calc R U . . .
H6B H 1.3546 0.2393 0.8555 0.112 Uiso 1 1 calc R U . . .
C7 C 1.323(3) 0.2981(7) 0.8234(16) 0.074(4) Uani 1 1 d . U . . .
H7A H 1.4022 0.3205 0.8287 0.088 Uiso 1 1 calc R U . . .
H7B H 1.2447 0.3008 0.8628 0.088 Uiso 1 1 calc R U . . .
C8 C 0.644(2) 0.4103(5) 0.7328(10) 0.030(2) Uani 1 1 d . U . . .
C9 C 0.492(2) 0.4218(5) 0.7666(10) 0.031(3) Uani 1 1 d . U . . .
H9 H 0.4601 0.4071 0.8096 0.038 Uiso 1 1 calc R U . . .
C10 C 0.398(2) 0.4529(5) 0.7374(10) 0.033(3) Uani 1 1 d . U . . .
H10 H 0.3006 0.4599 0.7600 0.039 Uiso 1 1 calc R U . . .
C11 C 0.444(2) 0.4756(5) 0.6719(11) 0.034(3) Uani 1 1 d . U . . .
C12 C 0.583(2) 0.4661(5) 0.6376(10) 0.032(3) Uani 1 1 d . U . . .
H12 H 0.6117 0.4811 0.5942 0.039 Uiso 1 1 calc R U . . .
C13 C 0.686(2) 0.4328(5) 0.6684(10) 0.030(2) Uani 1 1 d . U . . .
C14 C 0.842(2) 0.4232(5) 0.6306(10) 0.028(2) Uani 1 1 d . U . . .
C15 C 1.029(2) 0.4340(5) 0.5516(10) 0.029(3) Uani 1 1 d . U . . .
C16 C 1.116(2) 0.4489(5) 0.4918(10) 0.033(3) Uani 1 1 d . U . . .
H16 H 1.0780 0.4713 0.4607 0.040 Uiso 1 1 calc R U . . .
C17 C 1.262(2) 0.4284(5) 0.4816(10) 0.032(3) Uani 1 1 d . U . . .
H17 H 1.3253 0.4368 0.4418 0.039 Uiso 1 1 calc R U . . .
C18 C 1.316(2) 0.3953(5) 0.5293(10) 0.034(3) Uani 1 1 d . U . . .
H18 H 1.4180 0.3827 0.5215 0.040 Uiso 1 1 calc R U . . .
C19 C 1.226(2) 0.3803(5) 0.5881(11) 0.035(3) Uani 1 1 d . U . . .
H19 H 1.2624 0.3577 0.6189 0.042 Uiso 1 1 calc R U . . .
C20 C 1.079(2) 0.4012(5) 0.5978(10) 0.030(3) Uani 1 1 d . U . . .
C21 C 0.874(2) 0.5517(5) 0.7376(11) 0.041(3) Uani 1 1 d . U . . .
H21 H 0.9477 0.5570 0.7000 0.049 Uiso 1 1 calc R U . . .
C22 C 0.881(2) 0.5150(5) 0.7795(11) 0.041(3) Uani 1 1 d . U . . .
H22 H 0.9645 0.4966 0.7718 0.050 Uiso 1 1 calc R U . . .
C23 C 0.763(2) 0.5062(6) 0.8323(11) 0.042(3) Uani 1 1 d . U . . .
H23 H 0.7659 0.4819 0.8586 0.050 Uiso 1 1 calc R U . . .
C24 C 0.639(2) 0.5349(5) 0.8449(11) 0.040(3) Uani 1 1 d . U . . .
H24 H 0.5595 0.5295 0.8795 0.047 Uiso 1 1 calc R U . . .
C25 C 0.636(2) 0.5712(5) 0.8056(11) 0.037(3) Uani 1 1 d . U . . .
C26 C 0.757(2) 0.5787(5) 0.7544(11) 0.040(3) Uani 1 1 d . U . . .
H26 H 0.7571 0.6034 0.7304 0.049 Uiso 1 1 calc R U . . .
C27 C 0.261(2) 0.5646(5) 0.8959(11) 0.041(3) Uani 1 1 d . U . . .
H27 H 0.2563 0.5474 0.8510 0.049 Uiso 1 1 calc R U . . .
C28 C 0.370(2) 0.5978(5) 0.9033(11) 0.041(3) Uani 1 1 d . U . . .
C29 C 0.377(3) 0.6238(6) 0.9714(11) 0.047(3) Uani 1 1 d . U . . .
H29 H 0.4488 0.6459 0.9766 0.057 Uiso 1 1 calc R U . . .
C30 C 0.275(3) 0.6154(6) 1.0307(13) 0.054(4) Uani 1 1 d . U . . .
H30 H 0.2802 0.6318 1.0771 0.065 Uiso 1 1 calc R U . . .
C31 C 0.165(3) 0.5836(6) 1.0221(12) 0.051(4) Uani 1 1 d . U . . .
H31 H 0.0936 0.5792 1.0608 0.061 Uiso 1 1 calc R U . . .
C32 C 0.162(3) 0.5580(6) 0.9554(12) 0.049(4) Uani 1 1 d . U . . .
H32 H 0.0913 0.5358 0.9512 0.059 Uiso 1 1 calc R U . . .
C33 C 0.328(2) 0.6212(5) 0.7321(11) 0.042(3) Uani 1 1 d . U . . .
C34 C 0.364(3) 0.6180(6) 0.6519(12) 0.051(3) Uani 1 1 d . U . . .
H34 H 0.4684 0.6066 0.6444 0.061 Uiso 1 1 calc R U . . .
C35 C 0.243(3) 0.6318(6) 0.5820(13) 0.054(4) Uani 1 1 d . U . . .
H35 H 0.2687 0.6299 0.5284 0.065 Uiso 1 1 calc R U . . .
C36 C 0.087(3) 0.6481(6) 0.5926(13) 0.051(4) Uani 1 1 d . U . . .
H36 H 0.0088 0.6579 0.5462 0.062 Uiso 1 1 calc R U . . .
C37 C 0.046(3) 0.6502(6) 0.6718(12) 0.049(4) Uani 1 1 d . U . . .
H37 H -0.0614 0.6602 0.6791 0.058 Uiso 1 1 calc R U . . .
C38 C 0.170(2) 0.6368(5) 0.7407(11) 0.043(3) Uani 1 1 d . U . . .
H38 H 0.1448 0.6386 0.7944 0.051 Uiso 1 1 calc R U . . .
C39 C 0.627(3) 0.6516(5) 0.8528(12) 0.046(3) Uani 1 1 d . U . . .
C40 C 0.586(3) 0.6873(6) 0.8136(13) 0.055(3) Uani 1 1 d . U . . .
H40 H 0.4904 0.6897 0.7690 0.066 Uiso 1 1 calc R U . . .
C41 C 0.692(3) 0.7196(7) 0.8428(15) 0.068(4) Uani 1 1 d . U . . .
H41 H 0.6708 0.7437 0.8157 0.082 Uiso 1 1 calc R U . . .
C42 C 0.826(3) 0.7157(6) 0.9118(15) 0.067(4) Uani 1 1 d . U . . .
H42 H 0.8928 0.7376 0.9318 0.081 Uiso 1 1 calc R U . . .
C43 C 0.866(3) 0.6796(6) 0.9527(14) 0.065(4) Uani 1 1 d . U . . .
H43 H 0.9575 0.6773 0.9993 0.079 Uiso 1 1 calc R U . . .
C44 C 0.765(3) 0.6479(6) 0.9215(13) 0.050(3) Uani 1 1 d . U . . .
H44 H 0.7901 0.6235 0.9467 0.059 Uiso 1 1 calc R U . . .
N1 N 0.873(2) 0.2815(5) 0.8613(11) 0.055(4) Uani 1 1 d . U . . .
N2 N 0.619(2) 0.3152(4) 0.5849(10) 0.042(3) Uani 1 1 d . U . . .
N3 N 1.178(2) 0.3974(6) 0.8760(11) 0.061(4) Uani 1 1 d . U . . .
N4 N 0.9514(17) 0.3944(4) 0.6478(8) 0.030(2) Uani 1 1 d . U . . .
N5 N 1.095(2) 0.3149(5) 0.6983(11) 0.054(3) Uani 1 1 d . U . . .
N6 N 1.222(2) 0.2929(5) 0.7322(12) 0.065(3) Uani 1 1 d . U . . .
N7 N 0.3437(19) 0.5098(4) 0.6400(9) 0.039(3) Uani 1 1 d . U . . .
O1 O 0.7304(14) 0.3803(3) 0.7691(7) 0.033(2) Uani 1 1 d . U . . .
O2 O 0.8782(14) 0.4488(3) 0.5734(6) 0.030(2) Uani 1 1 d . U . . .
O3 O 0.3808(15) 0.5284(3) 0.5822(8) 0.041(3) Uani 1 1 d . U . . .
O4 O 0.2133(16) 0.5181(4) 0.6714(8) 0.051(3) Uani 1 1 d . 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 N5 1.912(16) . ?
Os1 C2 2.008(18) . ?
Os1 C3 2.03(2) . ?
Os1 O1 2.031(10) . ?
Os1 C1 2.050(19) . ?
Os1 N4 2.136(12) . ?
P1 C33 1.777(19) . ?
P1 C28 1.783(18) . ?
P1 C39 1.791(19) . ?
P1 C25 1.799(17) . ?
C1 N2 1.17(2) . ?
C2 N1 1.15(2) . ?
C3 N3 1.18(3) . ?
C4 N6 1.54(3) . ?
C4 C5 1.62(4) . ?
C5 C6 1.39(4) . ?
C6 C7 1.52(3) . ?
C7 N6 1.54(3) . ?
C8 O1 1.301(19) . ?
C8 C13 1.38(2) . ?
C8 C9 1.44(2) . ?
C9 C10 1.32(2) . ?
C10 C11 1.42(2) . ?
C11 C12 1.35(2) . ?
C11 N7 1.44(2) . ?
C12 C13 1.42(2) . ?
C13 C14 1.49(2) . ?
C14 N4 1.29(2) . ?
C14 O2 1.346(17) . ?
C15 C20 1.36(2) . ?
C15 C16 1.38(2) . ?
C15 O2 1.384(17) . ?
C16 C17 1.37(2) . ?
C17 C18 1.38(2) . ?
C18 C19 1.38(2) . ?
C19 C20 1.38(2) . ?
C20 N4 1.415(18) . ?
C21 C26 1.36(2) . ?
C21 C22 1.42(2) . ?
C22 C23 1.40(2) . ?
C23 C24 1.41(2) . ?
C24 C25 1.39(2) . ?
C25 C26 1.39(2) . ?
C27 C32 1.36(2) . ?
C27 C28 1.40(3) . ?
C28 C29 1.41(3) . ?
C29 C30 1.39(3) . ?
C30 C31 1.37(3) . ?
C31 C32 1.39(3) . ?
C33 C38 1.36(3) . ?
C33 C34 1.38(3) . ?
C34 C35 1.40(3) . ?
C35 C36 1.37(3) . ?
C36 C37 1.38(3) . ?
C37 C38 1.40(3) . ?
C39 C40 1.38(3) . ?
C39 C44 1.39(3) . ?
C40 C41 1.40(3) . ?
C41 C42 1.38(3) . ?
C42 C43 1.40(3) . ?
C43 C44 1.37(3) . ?
N5 N6 1.27(2) . ?
N7 O3 1.212(17) . ?
N7 O4 1.250(17) . ?

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
N5 Os1 C2 89.7(7) . . ?
N5 Os1 C3 96.5(8) . . ?
C2 Os1 C3 92.0(8) . . ?
N5 Os1 O1 176.3(6) . . ?
C2 Os1 O1 87.8(6) . . ?
C3 Os1 O1 86.4(6) . . ?
N5 Os1 C1 89.6(7) . . ?
C2 Os1 C1 92.7(7) . . ?
C3 Os1 C1 172.4(7) . . ?
O1 Os1 C1 87.8(5) . . ?
N5 Os1 N4 94.8(6) . . ?
C2 Os1 N4 175.5(6) . . ?
C3 Os1 N4 87.4(6) . . ?
O1 Os1 N4 87.7(4) . . ?
C1 Os1 N4 87.4(6) . . ?
C33 P1 C28 105.8(9) . . ?
C33 P1 C39 109.5(9) . . ?
C28 P1 C39 110.7(9) . . ?
C33 P1 C25 113.3(9) . . ?
C28 P1 C25 112.5(8) . . ?
C39 P1 C25 105.1(9) . . ?
N2 C1 Os1 173.7(15) . . ?
N1 C2 Os1 172.9(16) . . ?
N3 C3 Os1 173.0(18) . . ?
N6 C4 C5 92(2) . . ?
C6 C5 C4 116(3) . . ?
C5 C6 C7 104(2) . . ?
C6 C7 N6 100(2) . . ?
O1 C8 C13 126.8(14) . . ?
O1 C8 C9 115.5(14) . . ?
C13 C8 C9 117.6(15) . . ?
C10 C9 C8 121.2(15) . . ?
C9 C10 C11 120.2(14) . . ?
C12 C11 C10 121.2(15) . . ?
C12 C11 N7 118.0(15) . . ?
C10 C11 N7 120.8(14) . . ?
C11 C12 C13 119.2(15) . . ?
C8 C13 C12 120.6(14) . . ?
C8 C13 C14 121.0(14) . . ?
C12 C13 C14 118.3(14) . . ?
N4 C14 O2 115.0(12) . . ?
N4 C14 C13 129.1(13) . . ?
O2 C14 C13 115.8(13) . . ?
C20 C15 C16 124.4(14) . . ?
C20 C15 O2 108.8(13) . . ?
C16 C15 O2 126.8(14) . . ?
C17 C16 C15 115.2(15) . . ?
C16 C17 C18 121.2(15) . . ?
C19 C18 C17 123.0(15) . . ?
C18 C19 C20 115.2(16) . . ?
C15 C20 C19 121.0(15) . . ?
C15 C20 N4 107.2(13) . . ?
C19 C20 N4 131.8(15) . . ?
C26 C21 C22 117.7(16) . . ?
C23 C22 C21 120.9(16) . . ?
C22 C23 C24 118.9(17) . . ?
C25 C24 C23 120.0(16) . . ?
C26 C25 C24 119.0(16) . . ?
C26 C25 P1 118.8(14) . . ?
C24 C25 P1 122.2(13) . . ?
C21 C26 C25 123.4(18) . . ?
C32 C27 C28 119.2(18) . . ?
C29 C28 C27 120.4(16) . . ?
C29 C28 P1 118.7(14) . . ?
C27 C28 P1 120.8(13) . . ?
C30 C29 C28 118.0(19) . . ?
C31 C30 C29 121(2) . . ?
C30 C31 C32 119.8(18) . . ?
C27 C32 C31 121(2) . . ?
C38 C33 C34 118.4(18) . . ?
C38 C33 P1 119.9(14) . . ?
C34 C33 P1 121.5(15) . . ?
C33 C34 C35 120.5(19) . . ?
C36 C35 C34 120.0(19) . . ?
C35 C36 C37 120(2) . . ?
C36 C37 C38 118.3(19) . . ?
C33 C38 C37 122.3(17) . . ?
C40 C39 C44 121.3(18) . . ?
C40 C39 P1 120.4(16) . . ?
C44 C39 P1 118.0(14) . . ?
C39 C40 C41 118(2) . . ?
C42 C41 C40 120(2) . . ?
C41 C42 C43 122(2) . . ?
C44 C43 C42 117(2) . . ?
C43 C44 C39 121.2(19) . . ?
C14 N4 C20 105.0(12) . . ?
C14 N4 Os1 123.6(10) . . ?
C20 N4 Os1 131.5(10) . . ?
N6 N5 Os1 138.2(15) . . ?
N5 N6 C4 120(2) . . ?
N5 N6 C7 123.4(19) . . ?
C4 N6 C7 116.5(18) . . ?
O3 N7 O4 121.9(14) . . ?
O3 N7 C11 120.5(13) . . ?
O4 N7 C11 117.5(14) . . ?
C8 O1 Os1 129.8(9) . . ?
C14 O2 C15 104.0(11) . . ?

_refine_diff_density_max         4.594
_refine_diff_density_min         -2.036
_refine_diff_density_rms         0.240

