#------------------------------------------------------------------------------
#$Date: 2021-10-10 01:13:37 +0300 (Sun, 10 Oct 2021) $
#$Revision: 269879 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/48/1564894.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1564894
loop_
_publ_author_name
'Lau, Tai-Chu'
'Xiang, Jing'
'Ming, Peng'
'Yi, PAN'
'Luo, Li-Juan'
'Cheng, Shun-Cheung'
'Jin, XinXin'
'Yiu, Shek-Man'
'Man, Wai-Lun'
'Ko, Chi-Chiu'
'LAU, Kai Chung'
_publ_section_title
;
 Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a
 Luminescent Osmium(VI) Nitrido Complex
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC04369B
_journal_year                    2021
_chemical_formula_sum            'C45 H36 N7 O4 Os P'
_chemical_formula_weight         959.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-05-14 deposited with the CCDC.	2021-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                108.857(10)
_cell_angle_beta                 93.523(10)
_cell_angle_gamma                91.599(9)
_cell_formula_units_Z            2
_cell_length_a                   7.541(4)
_cell_length_b                   16.410(9)
_cell_length_c                   17.308(10)
_cell_measurement_reflns_used    3746
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.65
_cell_measurement_theta_min      2.41
_cell_volume                     2020.5(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.956
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12353
_diffrn_reflns_point_group_measured_fraction_full 0.956
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.411
_exptl_absorpt_coefficient_mu    3.249
_exptl_absorpt_correction_T_max  0.91122
_exptl_absorpt_correction_T_min  0.81667
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.765
_refine_diff_density_min         -2.101
_refine_diff_density_rms         0.343
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         6801
_refine_ls_number_restraints     1074
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0460
_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)+(0.1137P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1823
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5822
_reflns_number_total             6801
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc04369b2.cif
_cod_data_source_block           mo_MAN0053_0m
_cod_original_cell_volume        2020.3(19)
_cod_database_code               1564894
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.781
_shelx_estimated_absorpt_t_max   0.805
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.68604(4) 0.87990(2) 0.71192(2) 0.02357(17) Uani 1 1 d . U . . .
P1 P 0.0216(3) 0.34313(16) 0.73157(16) 0.0273(5) Uani 1 1 d . U . . .
N1 N 0.6214(11) 0.8781(5) 0.8273(5) 0.0294(16) Uani 1 1 d . U . . .
N2 N 0.8656(15) 1.0690(6) 0.8135(7) 0.057(3) Uani 1 1 d . U . . .
N3 N 0.7963(12) 0.8809(6) 0.5387(5) 0.035(2) Uani 1 1 d . U . . .
N4 N 0.5639(15) 0.6797(7) 0.6633(7) 0.052(3) Uani 1 1 d . U . . .
N5 N 0.4647(11) 0.9058(6) 0.6767(5) 0.0344(19) Uani 1 1 d . U . . .
N6 N 1.1602(13) 0.6566(7) 0.9419(7) 0.047(2) Uani 1 1 d . U . . .
N7 N 0.833(2) 0.4110(12) 0.5308(10) 0.096(5) Uani 1 1 d . U . . .
O1 O 0.9309(9) 0.8394(4) 0.7362(4) 0.0301(14) Uani 1 1 d . U . . .
O2 O 1.2843(11) 0.6094(7) 0.9228(7) 0.065(3) Uani 1 1 d . U . . .
O3 O 1.0876(13) 0.6636(7) 1.0043(6) 0.064(3) Uani 1 1 d . U . . .
O4 O 0.6329(9) 0.8343(4) 0.9400(4) 0.0295(14) Uani 1 1 d . U . . .
C1 C 0.4735(13) 0.9101(6) 0.8704(6) 0.0304(19) Uani 1 1 d . U . . .
C2 C 0.3390(13) 0.9597(7) 0.8616(7) 0.036(2) Uani 1 1 d . U . . .
H2 H 0.3347 0.9817 0.8183 0.043 Uiso 1 1 calc R U . . .
C3 C 0.2088(14) 0.9780(8) 0.9156(7) 0.039(2) Uani 1 1 d . U . . .
H3 H 0.1148 1.0107 0.9078 0.047 Uiso 1 1 calc R U . . .
C4 C 0.2169(14) 0.9478(8) 0.9820(7) 0.043(2) Uani 1 1 d . U . . .
H4 H 0.1261 0.9604 1.0174 0.052 Uiso 1 1 calc R U . . .
C5 C 0.3568(13) 0.8988(7) 0.9981(7) 0.033(2) Uani 1 1 d . U . . .
H5 H 0.3651 0.8805 1.0437 0.040 Uiso 1 1 calc R U . . .
C6 C 0.4802(13) 0.8807(6) 0.9398(6) 0.0274(19) Uani 1 1 d . U . . .
C7 C 0.7113(12) 0.8354(6) 0.8696(6) 0.0255(18) Uani 1 1 d . U . . .
C8 C 0.8786(12) 0.7904(6) 0.8536(6) 0.0254(18) Uani 1 1 d . U . . .
C9 C 0.9414(13) 0.7459(6) 0.9050(6) 0.0298(19) Uani 1 1 d . U . . .
H9 H 0.8797 0.7437 0.9492 0.036 Uiso 1 1 calc R U . . .
C10 C 1.0954(14) 0.7059(7) 0.8881(7) 0.036(2) Uani 1 1 d . U . . .
C11 C 1.1963(14) 0.7107(7) 0.8262(7) 0.038(2) Uani 1 1 d . U . . .
H11 H 1.3026 0.6828 0.8178 0.046 Uiso 1 1 calc R U . . .
C12 C 1.1411(13) 0.7553(7) 0.7789(6) 0.030(2) Uani 1 1 d . U . . .
H12 H 1.2110 0.7597 0.7378 0.036 Uiso 1 1 calc R U . . .
C13 C 0.9777(13) 0.7965(7) 0.7893(6) 0.032(2) Uani 1 1 d . U . . .
C14 C 0.7973(14) 1.0044(7) 0.7699(7) 0.035(2) Uani 1 1 d . U . . .
C15 C 0.7594(13) 0.8786(6) 0.6002(7) 0.031(2) Uani 1 1 d . U . . .
C16 C 0.6080(13) 0.7505(6) 0.6769(6) 0.028(2) Uani 1 1 d . U . . .
C17 C 0.3225(13) 0.9076(8) 0.6440(7) 0.037(2) Uani 1 1 d . U . . .
C18 C 0.2286(16) 0.8258(9) 0.5832(9) 0.053(3) Uani 1 1 d . U . . .
H18A H 0.3109 0.7806 0.5693 0.079 Uiso 1 1 calc R U . . .
H18B H 0.1861 0.8374 0.5345 0.079 Uiso 1 1 calc R U . . .
H18C H 0.1301 0.8081 0.6076 0.079 Uiso 1 1 calc R U . . .
C19 C 0.227(2) 0.9905(10) 0.6536(10) 0.064(4) Uani 1 1 d . U . . .
H19A H 0.2757 1.0347 0.7022 0.096 Uiso 1 1 calc R U . . .
H19B H 0.1025 0.9806 0.6577 0.096 Uiso 1 1 calc R U . . .
H19C H 0.2428 1.0086 0.6068 0.096 Uiso 1 1 calc R U . . .
C20 C 0.1591(15) 0.3779(7) 0.6678(7) 0.038(2) Uani 1 1 d . U . . .
C21 C 0.2213(15) 0.4628(7) 0.6882(7) 0.041(2) Uani 1 1 d . U . . .
H21 H 0.1863 0.5041 0.7349 0.049 Uiso 1 1 calc R U . . .
C22 C 0.3385(16) 0.4862(8) 0.6375(8) 0.047(3) Uani 1 1 d . U . . .
H22 H 0.3814 0.5432 0.6516 0.057 Uiso 1 1 calc R U . . .
C23 C 0.3899(18) 0.4271(9) 0.5686(9) 0.057(3) Uani 1 1 d . U . . .
H23 H 0.4641 0.4444 0.5352 0.069 Uiso 1 1 calc R U . . .
C24 C 0.3309(17) 0.3387(9) 0.5469(9) 0.054(3) Uani 1 1 d . U . . .
H24 H 0.3732 0.2973 0.5022 0.064 Uiso 1 1 calc R U . . .
C25 C 0.2104(16) 0.3162(8) 0.5936(7) 0.043(2) Uani 1 1 d . U . . .
H25 H 0.1609 0.2602 0.5769 0.051 Uiso 1 1 calc R U . . .
C26 C -0.1064(13) 0.4319(6) 0.7863(6) 0.0310(19) Uani 1 1 d . U . . .
C27 C -0.1889(15) 0.4799(7) 0.7483(8) 0.044(2) Uani 1 1 d . U . . .
H27 H -0.1757 0.4672 0.6926 0.052 Uiso 1 1 calc R U . . .
C28 C -0.2969(16) 0.5500(8) 0.7867(9) 0.054(3) Uani 1 1 d . U . . .
H28 H -0.3533 0.5828 0.7586 0.065 Uiso 1 1 calc R U . . .
C29 C -0.3101(16) 0.5648(8) 0.8723(9) 0.051(3) Uani 1 1 d . U . . .
H29 H -0.3781 0.6092 0.9015 0.061 Uiso 1 1 calc R U . . .
C30 C -0.2236(16) 0.5145(8) 0.9132(9) 0.054(3) Uani 1 1 d . U . . .
H30 H -0.2373 0.5246 0.9685 0.065 Uiso 1 1 calc R U . . .
C31 C -0.1195(15) 0.4509(7) 0.8720(8) 0.043(2) Uani 1 1 d . U . . .
H31 H -0.0567 0.4197 0.8999 0.052 Uiso 1 1 calc R U . . .
C32 C 0.1668(13) 0.3119(6) 0.8017(6) 0.0286(18) Uani 1 1 d . U . . .
C33 C 0.1204(15) 0.2435(7) 0.8279(7) 0.038(2) Uani 1 1 d . U . . .
H33 H 0.0121 0.2131 0.8083 0.045 Uiso 1 1 calc R U . . .
C34 C 0.2344(16) 0.2185(8) 0.8840(7) 0.042(2) Uani 1 1 d . U . . .
H34 H 0.2044 0.1721 0.9013 0.051 Uiso 1 1 calc R U . . .
C35 C 0.3918(17) 0.2670(8) 0.9112(8) 0.048(3) Uani 1 1 d . U . . .
H35 H 0.4695 0.2507 0.9468 0.057 Uiso 1 1 calc R U . . .
C36 C 0.4416(17) 0.3353(9) 0.8905(8) 0.052(3) Uani 1 1 d . U . . .
H36 H 0.5474 0.3667 0.9133 0.063 Uiso 1 1 calc R U . . .
C37 C 0.3275(15) 0.3599(8) 0.8317(7) 0.043(2) Uani 1 1 d . U . . .
H37 H 0.3602 0.4060 0.8146 0.052 Uiso 1 1 calc R U . . .
C38 C -0.1275(13) 0.2515(6) 0.6755(6) 0.0301(19) Uani 1 1 d . U . . .
C39 C -0.0569(14) 0.1708(7) 0.6402(7) 0.035(2) Uani 1 1 d . U . . .
H39 H 0.0655 0.1651 0.6433 0.042 Uiso 1 1 calc R U . . .
C40 C -0.1705(15) 0.0996(7) 0.6005(7) 0.039(2) Uani 1 1 d . U . . .
H40 H -0.1251 0.0454 0.5792 0.047 Uiso 1 1 calc R U . . .
C41 C -0.3530(17) 0.1097(8) 0.5927(9) 0.055(3) Uani 1 1 d . U . . .
H41 H -0.4288 0.0630 0.5628 0.065 Uiso 1 1 calc R U . . .
C42 C -0.4187(18) 0.1862(9) 0.6282(10) 0.062(3) Uani 1 1 d . U . . .
H42 H -0.5413 0.1914 0.6261 0.074 Uiso 1 1 calc R U . . .
C43 C -0.3059(16) 0.2594(8) 0.6688(8) 0.050(3) Uani 1 1 d . U . . .
H43 H -0.3535 0.3130 0.6910 0.061 Uiso 1 1 calc R U . . .
C44 C 1.030(3) 0.3759(14) 0.4107(12) 0.094(5) Uani 1 1 d . U . . .
H44A H 0.9825 0.4014 0.3716 0.141 Uiso 1 1 calc R U . . .
H44B H 1.0299 0.3145 0.3853 0.141 Uiso 1 1 calc R U . . .
H44C H 1.1489 0.3986 0.4294 0.141 Uiso 1 1 calc R U . . .
C45 C 0.922(3) 0.3953(12) 0.4784(11) 0.081(5) Uani 1 1 d . U . . .
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'
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 C15 85.1(4) . . ?
N5 Os1 O1 172.5(3) . . ?
C15 Os1 O1 89.6(3) . . ?
N5 Os1 C16 90.9(4) . . ?
C15 Os1 C16 96.2(4) . . ?
O1 Os1 C16 84.4(3) . . ?
N5 Os1 C14 99.8(4) . . ?
C15 Os1 C14 92.7(4) . . ?
O1 Os1 C14 85.6(3) . . ?
C16 Os1 C14 166.6(4) . . ?
N5 Os1 N1 97.5(4) . . ?
C15 Os1 N1 177.3(3) . . ?
O1 Os1 N1 87.7(3) . . ?
C16 Os1 N1 83.0(4) . . ?
C14 Os1 N1 87.6(4) . . ?
C20 P1 C32 106.7(5) . . ?
C20 P1 C26 108.7(5) . . ?
C32 P1 C26 110.3(5) . . ?
C20 P1 C38 113.2(5) . . ?
C32 P1 C38 108.5(4) . . ?
C26 P1 C38 109.5(5) . . ?
C7 N1 C1 106.9(8) . . ?
C7 N1 Os1 123.4(7) . . ?
C1 N1 Os1 129.2(7) . . ?
C17 N5 Os1 167.9(9) . . ?
O3 N6 O2 120.9(11) . . ?
O3 N6 C10 119.1(10) . . ?
O2 N6 C10 120.0(10) . . ?
C13 O1 Os1 128.4(6) . . ?
C7 O4 C6 103.7(7) . . ?
C2 C1 N1 135.6(10) . . ?
C2 C1 C6 118.0(9) . . ?
N1 C1 C6 106.4(9) . . ?
C1 C2 C3 120.8(11) . . ?
C2 C3 C4 120.1(11) . . ?
C3 C4 C5 123.0(10) . . ?
C6 C5 C4 113.7(10) . . ?
C5 C6 O4 126.5(9) . . ?
C5 C6 C1 124.3(9) . . ?
O4 C6 C1 109.2(8) . . ?
N1 C7 O4 113.8(8) . . ?
N1 C7 C8 130.3(8) . . ?
O4 C7 C8 115.9(8) . . ?
C9 C8 C13 120.5(9) . . ?
C9 C8 C7 119.6(9) . . ?
C13 C8 C7 119.8(9) . . ?
C10 C9 C8 117.5(10) . . ?
C9 C10 C11 123.6(10) . . ?
C9 C10 N6 117.4(10) . . ?
C11 C10 N6 119.0(10) . . ?
C12 C11 C10 119.4(10) . . ?
C11 C12 C13 121.3(10) . . ?
O1 C13 C8 125.6(9) . . ?
O1 C13 C12 116.9(8) . . ?
C8 C13 C12 117.5(10) . . ?
N2 C14 Os1 168.4(11) . . ?
N3 C15 Os1 177.1(9) . . ?
N4 C16 Os1 175.1(10) . . ?
N5 C17 C19 123.3(12) . . ?
N5 C17 C18 121.3(11) . . ?
C19 C17 C18 115.3(10) . . ?
C21 C20 C25 118.9(10) . . ?
C21 C20 P1 121.7(9) . . ?
C25 C20 P1 119.4(8) . . ?
C20 C21 C22 119.4(12) . . ?
C23 C22 C21 121.2(11) . . ?
C22 C23 C24 120.6(11) . . ?
C25 C24 C23 118.4(13) . . ?
C24 C25 C20 121.1(11) . . ?
C27 C26 C31 119.2(11) . . ?
C27 C26 P1 121.3(9) . . ?
C31 C26 P1 119.5(8) . . ?
C26 C27 C28 124.8(13) . . ?
C29 C28 C27 113.9(12) . . ?
C30 C29 C28 122.0(12) . . ?
C31 C30 C29 119.9(13) . . ?
C30 C31 C26 120.2(12) . . ?
C33 C32 C37 120.2(9) . . ?
C33 C32 P1 121.2(8) . . ?
C37 C32 P1 118.6(8) . . ?
C32 C33 C34 121.6(10) . . ?
C35 C34 C33 116.1(10) . . ?
C36 C35 C34 125.2(11) . . ?
C35 C36 C37 118.8(11) . . ?
C32 C37 C36 117.9(10) . . ?
C43 C38 C39 119.6(10) . . ?
C43 C38 P1 121.1(8) . . ?
C39 C38 P1 119.3(8) . . ?
C40 C39 C38 119.7(10) . . ?
C39 C40 C41 119.7(10) . . ?
C42 C41 C40 120.0(11) . . ?
C41 C42 C43 121.2(13) . . ?
C38 C43 C42 119.8(12) . . ?
N7 C45 C44 178(2) . . ?
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 1.849(9) . ?
Os1 C15 2.038(11) . ?
Os1 O1 2.045(7) . ?
Os1 C16 2.068(10) . ?
Os1 C14 2.087(11) . ?
Os1 N1 2.094(9) . ?
P1 C20 1.770(11) . ?
P1 C32 1.791(10) . ?
P1 C26 1.803(11) . ?
P1 C38 1.815(10) . ?
N1 C7 1.336(13) . ?
N1 C1 1.399(13) . ?
N2 C14 1.168(14) . ?
N3 C15 1.128(14) . ?
N4 C16 1.143(14) . ?
N5 C17 1.187(13) . ?
N6 O3 1.214(14) . ?
N6 O2 1.225(13) . ?
N6 C10 1.488(14) . ?
N7 C45 1.13(2) . ?
O1 C13 1.363(13) . ?
O4 C7 1.391(11) . ?
O4 C6 1.398(11) . ?
C1 C2 1.350(15) . ?
C1 C6 1.432(14) . ?
C2 C3 1.369(15) . ?
C3 C4 1.390(16) . ?
C4 C5 1.411(16) . ?
C5 C6 1.382(14) . ?
C7 C8 1.475(13) . ?
C8 C9 1.391(13) . ?
C8 C13 1.407(13) . ?
C9 C10 1.351(14) . ?
C10 C11 1.372(16) . ?
C11 C12 1.321(15) . ?
C12 C13 1.415(14) . ?
C17 C19 1.524(18) . ?
C17 C18 1.534(18) . ?
C20 C21 1.383(15) . ?
C20 C25 1.437(16) . ?
C21 C22 1.411(16) . ?
C22 C23 1.359(19) . ?
C23 C24 1.426(19) . ?
C24 C25 1.370(17) . ?
C26 C27 1.323(15) . ?
C26 C31 1.425(16) . ?
C27 C28 1.432(17) . ?
C28 C29 1.43(2) . ?
C29 C30 1.400(19) . ?
C30 C31 1.359(17) . ?
C32 C33 1.384(14) . ?
C32 C37 1.402(15) . ?
C33 C34 1.423(14) . ?
C34 C35 1.378(17) . ?
C35 C36 1.334(18) . ?
C36 C37 1.454(17) . ?
C38 C43 1.357(16) . ?
C38 C39 1.402(15) . ?
C39 C40 1.387(15) . ?
C40 C41 1.395(17) . ?
C41 C42 1.331(19) . ?
C42 C43 1.409(17) . ?
C44 C45 1.42(3) . ?
