#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:51:13 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250295 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703551.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_7703551
loop_
_publ_author_name
'Su, Qian-Qian'
'Fan, Kun'
'Huang, Xin-Da'
'Xiang, Jing'
'Cheng, Shun-Cheung'
'Ko, Chi-Chiu'
'Zheng, Li-Min'
'Kurmoo, Mohamedally'
'Lau, Tai-Chu'
_publ_section_title
;
 Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear
 osmium(v) complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4084
_journal_page_last               4092
_journal_paper_doi               10.1039/d0dt00295j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C44 H35 N7 O4 Os P'
_chemical_formula_weight         946.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-27 deposited with the CCDC.	2020-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.349(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7510(5)
_cell_length_b                   34.110(2)
_cell_length_c                   16.1795(12)
_cell_measurement_reflns_used    3512
_cell_measurement_temperature    119.99(10)
_cell_measurement_theta_max      25.5730
_cell_measurement_theta_min      2.1980
_cell_volume                     4194.0(5)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      119.99(10)
_diffrn_detector_area_resol_mean 10.5368
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0824
_diffrn_reflns_av_unetI/netI     0.1383
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16644
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.008
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_min         2.204
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.129
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       block
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         4.594
_refine_diff_density_min         -2.036
_refine_diff_density_rms         0.240
_refine_ls_extinction_coef       0.0011(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         7188
_refine_ls_number_restraints     1590
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1444
_refine_ls_R_factor_gt           0.1025
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1095P)²+79.2050P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2471
_refine_ls_wR_factor_ref         0.2789
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4876
_reflns_number_total             7188
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00295j2.cif
_cod_data_source_block           exp_1610
_cod_depositor_comments
'Adding full bibliography for 7703550--7703551.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7703551
_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   0.788
_shelx_estimated_absorpt_t_max   0.811
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'
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 . . .
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 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) . . ?
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) . ?
