#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:22:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179892 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/88/7018801.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_7018801
loop_
_publ_author_name
'Xiang, Jing'
'Jia, Li-Hui'
'Man, Wai-Lun'
'Qian, Kang'
'Lee, Gene-Hsiang'
'Peng, Shie-Ming'
'Yiu, Shek-Man'
'Gao, Song'
'Lau, Tai-Chu'
_publ_section_title
;
 A novel triazidoruthenium(iii) building block for the construction of
 polynuclear compounds
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              5794
_journal_paper_doi               10.1039/c2dt11810f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C34 H48 Co N6 O12 Ru2'
_chemical_formula_weight         993.85
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.3420(13)
_cell_angle_beta                 91.5545(15)
_cell_angle_gamma                111.7158(11)
_cell_formula_units_Z            2
_cell_length_a                   11.4815(3)
_cell_length_b                   11.8715(3)
_cell_length_c                   17.2232(4)
_cell_measurement_reflns_used    7414
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.00
_cell_volume                     2042.54(9)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_av_sigmaI/netI    0.0827
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21555
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    1.196
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.308
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         7183
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0628P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                4739
_reflns_number_total             7183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11810f.txt
_cod_data_source_block           ic14085
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018801
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.80180(4) 0.85749(5) 0.87249(3) 0.03085(15) Uani 1 1 d U
Ru2 Ru 0.85667(5) 0.77336(5) 0.66918(3) 0.03171(16) Uani 1 1 d U
Co1 Co 1.07943(7) 0.91747(8) 0.95604(5) 0.0304(2) Uani 1 1 d .
O1 O 0.7062(4) 0.9611(4) 0.8531(2) 0.0408(11) Uani 1 1 d .
O2 O 0.8930(4) 0.7617(4) 0.9094(2) 0.0363(10) Uani 1 1 d .
O3 O 0.9213(4) 0.9545(4) 0.6656(3) 0.0438(11) Uani 1 1 d .
O4 O 0.7904(4) 0.5829(4) 0.6494(3) 0.0421(11) Uani 1 1 d .
O5 O 0.9718(3) 1.0142(4) 0.9272(2) 0.0294(9) Uani 1 1 d .
O6 O 0.7714(4) 0.9142(4) 0.9933(2) 0.0401(11) Uani 1 1 d .
O7 O 0.8822(4) 0.7121(4) 0.5407(2) 0.0440(11) Uani 1 1 d .
H7 H 0.8687 0.6278 0.5164 0.066 Uiso 1 1 d R
O8 O 1.1830(4) 0.8306(4) 1.0056(2) 0.0412(11) Uani 1 1 d .
H8 H 1.2245 0.8898 1.0548 0.062 Uiso 1 1 d R
N1 N 0.8331(4) 0.8170(5) 0.7712(3) 0.0289(11) Uani 1 1 d .
N2 N 1.0424(5) 0.7883(6) 0.6997(3) 0.0451(15) Uani 1 1 d .
N3 N 1.0843(5) 0.8259(5) 0.7720(3) 0.0388(13) Uani 1 1 d .
N4 N 1.1307(5) 0.8598(6) 0.8392(3) 0.0492(15) Uani 1 1 d .
N5 N 0.6297(5) 0.7152(6) 0.8362(3) 0.0486(14) Uani 1 1 d U
N6 N 0.6904(6) 0.7694(7) 0.6257(4) 0.0533(15) Uani 1 1 d U
C1 C 0.5842(6) 0.8862(6) 0.8176(3) 0.0345(15) Uani 1 1 d .
C2 C 0.5087(6) 0.9398(7) 0.7908(4) 0.0418(16) Uani 1 1 d .
H2 H 0.5430 1.0290 0.7974 0.050 Uiso 1 1 calc R
C3 C 0.3846(7) 0.8631(8) 0.7548(4) 0.0510(19) Uani 1 1 d .
H3 H 0.3337 0.8997 0.7360 0.061 Uiso 1 1 calc R
C4 C 0.3321(6) 0.7330(8) 0.7455(4) 0.054(2) Uani 1 1 d .
H4 H 0.2456 0.6813 0.7214 0.064 Uiso 1 1 calc R
C5 C 0.4061(7) 0.6794(7) 0.7712(4) 0.0503(19) Uani 1 1 d .
H5 H 0.3708 0.5902 0.7646 0.060 Uiso 1 1 calc R
C6 C 0.5306(6) 0.7537(7) 0.8065(4) 0.0427(16) Uani 1 1 d U
C7 C 0.6095(8) 0.6069(8) 0.8346(4) 0.057(2) Uani 1 1 d U
H7A H 0.5257 0.5432 0.8126 0.068 Uiso 1 1 calc R
C8 C 0.6999(7) 0.5656(6) 0.8627(4) 0.0433(16) Uani 1 1 d U
C9 C 0.6449(8) 0.4328(7) 0.8540(4) 0.062(2) Uani 1 1 d .
H9A H 0.5576 0.3833 0.8313 0.074 Uiso 1 1 calc R
C10 C 0.7160(10) 0.3749(8) 0.8778(5) 0.079(3) Uani 1 1 d .
H10 H 0.6784 0.2849 0.8687 0.095 Uiso 1 1 calc R
C11 C 0.8403(9) 0.4451(7) 0.9144(4) 0.064(2) Uani 1 1 d .
H11 H 0.8875 0.4045 0.9326 0.076 Uiso 1 1 calc R
C12 C 0.8964(7) 0.5730(7) 0.9250(4) 0.0463(17) Uani 1 1 d .
H12 H 0.9828 0.6209 0.9505 0.056 Uiso 1 1 calc R
C13 C 0.8290(6) 0.6358(6) 0.8987(3) 0.0333(14) Uani 1 1 d .
C14 C 0.8285(7) 0.9857(7) 0.6416(4) 0.0438(17) Uani 1 1 d .
C15 C 0.8590(7) 1.1097(7) 0.6396(4) 0.0488(18) Uani 1 1 d .
H15 H 0.9441 1.1721 0.6574 0.059 Uiso 1 1 calc R
C16 C 0.7673(8) 1.1422(8) 0.6121(5) 0.062(2) Uani 1 1 d .
H16 H 0.7894 1.2264 0.6098 0.075 Uiso 1 1 calc R
C17 C 0.6412(8) 1.0520(9) 0.5873(5) 0.070(2) Uani 1 1 d .
H17 H 0.5776 1.0746 0.5681 0.084 Uiso 1 1 calc R
C18 C 0.6098(8) 0.9312(8) 0.5909(5) 0.061(2) Uani 1 1 d .
H18 H 0.5241 0.8701 0.5749 0.074 Uiso 1 1 calc R
C19 C 0.7026(8) 0.8980(8) 0.6177(4) 0.0545(19) Uani 1 1 d U
C20 C 0.5929(10) 0.6805(8) 0.6093(5) 0.067(2) Uani 1 1 d U
H20 H 0.5204 0.6912 0.5906 0.080 Uiso 1 1 calc R
C21 C 0.5725(7) 0.5551(7) 0.6150(4) 0.0477(17) Uani 1 1 d U
C22 C 0.4435(7) 0.4711(8) 0.5980(4) 0.056(2) Uani 1 1 d .
H22 H 0.3813 0.4992 0.5835 0.067 Uiso 1 1 calc R
C23 C 0.4059(8) 0.3504(8) 0.6018(5) 0.059(2) Uani 1 1 d .
H23 H 0.3183 0.2946 0.5905 0.071 Uiso 1 1 calc R
C24 C 0.4964(7) 0.3106(7) 0.6223(4) 0.055(2) Uani 1 1 d .
H24 H 0.4701 0.2262 0.6250 0.066 Uiso 1 1 calc R
C25 C 0.6228(7) 0.3877(7) 0.6389(4) 0.0473(18) Uani 1 1 d .
H25 H 0.6827 0.3568 0.6534 0.057 Uiso 1 1 calc R
C26 C 0.6650(6) 0.5119(6) 0.6349(4) 0.0388(16) Uani 1 1 d .
C27 C 1.0244(6) 1.1037(6) 0.8841(4) 0.0363(15) Uani 1 1 d .
H27A H 0.9616 1.1363 0.8723 0.054 Uiso 1 1 calc R
H27B H 1.0462 1.0592 0.8320 0.054 Uiso 1 1 calc R
H27C H 1.1010 1.1762 0.9189 0.054 Uiso 1 1 calc R
C28 C 0.6534(7) 0.8728(8) 1.0217(4) 0.062(2) Uani 1 1 d .
H28A H 0.5897 0.8830 0.9886 0.093 Uiso 1 1 calc R
H28B H 0.6630 0.9253 1.0801 0.093 Uiso 1 1 calc R
H28C H 0.6259 0.7816 1.0160 0.093 Uiso 1 1 calc R
C29 C 0.9555(8) 0.7894(8) 0.4971(5) 0.067(2) Uani 1 1 d .
H29A H 1.0449 0.8300 0.5233 0.100 Uiso 1 1 calc R
H29B H 0.9247 0.8566 0.4985 0.100 Uiso 1 1 calc R
H29C H 0.9476 0.7349 0.4395 0.100 Uiso 1 1 calc R
C30 C 1.2714(7) 0.7852(8) 0.9602(4) 0.057(2) Uani 1 1 d .
H30A H 1.3274 0.8524 0.9408 0.085 Uiso 1 1 calc R
H30B H 1.2239 0.7066 0.9125 0.085 Uiso 1 1 calc R
H30C H 1.3226 0.7662 0.9967 0.085 Uiso 1 1 calc R
O9 O 0.9703(5) 0.4788(5) 0.6523(3) 0.0554(13) Uani 1 1 d .
H9 H 0.9213 0.5166 0.6524 0.083 Uiso 1 1 calc R
C31 C 0.9996(8) 0.4818(8) 0.7328(4) 0.062(2) Uani 1 1 d .
H31A H 1.0642 0.4466 0.7340 0.093 Uiso 1 1 calc R
H31B H 0.9228 0.4296 0.7492 0.093 Uiso 1 1 calc R
H31C H 1.0322 0.5714 0.7715 0.093 Uiso 1 1 calc R
O10 O 0.8350(6) 0.8653(6) 0.3038(4) 0.0859(19) Uani 1 1 d .
H10A H 0.9108 0.9154 0.3247 0.129 Uiso 1 1 calc R
C32 C 0.7612(15) 0.9304(16) 0.3224(10) 0.179(7) Uiso 1 1 d .
H32A H 0.7344 0.9296 0.3758 0.268 Uiso 1 1 calc R
H32B H 0.6861 0.8898 0.2792 0.268 Uiso 1 1 calc R
H32C H 0.8085 1.0200 0.3259 0.268 Uiso 1 1 calc R
O11 O 0.7050(7) 0.6128(7) 0.2021(4) 0.115(3) Uani 1 1 d .
H11A H 0.7638 0.6803 0.2343 0.173 Uiso 1 1 calc R
C33 C 0.7346(12) 0.5852(11) 0.1234(7) 0.131(5) Uani 1 1 d .
H33A H 0.7309 0.6501 0.1008 0.196 Uiso 1 1 calc R
H33B H 0.6736 0.4992 0.0879 0.196 Uiso 1 1 calc R
H33C H 0.8205 0.5865 0.1254 0.196 Uiso 1 1 calc R
O12 O 0.8500(5) 0.4808(5) 0.4461(3) 0.0609(14) Uani 1 1 d .
H12A H 0.9038 0.4825 0.4139 0.091 Uiso 1 1 calc R
C34 C 0.8071(7) 0.3607(7) 0.4603(4) 0.058(2) Uani 1 1 d .
H34A H 0.7845 0.2892 0.4072 0.087 Uiso 1 1 calc R
H34B H 0.7325 0.3509 0.4881 0.087 Uiso 1 1 calc R
H34C H 0.8750 0.3596 0.4954 0.087 Uiso 1 1 calc R
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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
N1 Ru1 N5 90.7(2) . .
N1 Ru1 O1 93.04(19) . .
N5 Ru1 O1 82.2(2) . .
N1 Ru1 O2 95.39(19) . .
N5 Ru1 O2 98.0(2) . .
O1 Ru1 O2 171.56(16) . .
N1 Ru1 O6 177.2(2) . .
N5 Ru1 O6 91.8(2) . .
O1 Ru1 O6 86.25(17) . .
O2 Ru1 O6 85.31(17) . .
N1 Ru1 O5 97.81(19) . .
N5 Ru1 O5 171.36(19) . .
O1 Ru1 O5 95.85(16) . .
O2 Ru1 O5 82.68(16) . .
O6 Ru1 O5 79.63(15) . .
N1 Ru2 O4 95.0(2) . .
N1 Ru2 N6 93.8(2) . .
O4 Ru2 N6 95.2(2) . .
N1 Ru2 O3 95.6(2) . .
O4 Ru2 O3 169.18(17) . .
N6 Ru2 O3 81.8(2) . .
N1 Ru2 N2 93.7(2) . .
O4 Ru2 N2 89.3(2) . .
N6 Ru2 N2 170.9(2) . .
O3 Ru2 N2 92.3(2) . .
N1 Ru2 O7 178.1(2) . .
O4 Ru2 O7 83.12(17) . .
N6 Ru2 O7 85.9(2) . .
O3 Ru2 O7 86.29(17) . .
N2 Ru2 O7 86.77(18) . .
O6 Co1 N4 98.1(2) 2_777 .
O6 Co1 O5 80.11(16) 2_777 2_777
N4 Co1 O5 176.6(2) . 2_777
O6 Co1 O5 90.27(17) 2_777 .
N4 Co1 O5 96.73(19) . .
O5 Co1 O5 80.45(15) 2_777 .
O6 Co1 O8 87.68(17) 2_777 .
N4 Co1 O8 92.58(19) . .
O5 Co1 O8 90.22(15) 2_777 .
O5 Co1 O8 170.66(15) . .
O6 Co1 O2 166.96(17) 2_777 .
N4 Co1 O2 89.5(2) . .
O5 Co1 O2 91.74(15) 2_777 .
O5 Co1 O2 78.28(15) . .
O8 Co1 O2 102.61(17) . .
C1 O1 Ru1 112.4(4) . .
C13 O2 Ru1 119.3(4) . .
C13 O2 Co1 141.6(4) . .
Ru1 O2 Co1 99.07(17) . .
C14 O3 Ru2 113.3(4) . .
C26 O4 Ru2 120.3(4) . .
C27 O5 Ru1 118.3(3) . .
C27 O5 Co1 118.7(3) . 2_777
Ru1 O5 Co1 97.45(15) . 2_777
C27 O5 Co1 119.2(3) . .
Ru1 O5 Co1 99.42(17) . .
Co1 O5 Co1 99.55(15) 2_777 .
C28 O6 Co1 127.6(4) . 2_777
C28 O6 Ru1 126.4(4) . .
Co1 O6 Ru1 101.41(18) 2_777 .
C29 O7 Ru2 128.0(4) . .
C30 O8 Co1 121.1(4) . .
Ru2 N1 Ru1 177.4(3) . .
N3 N2 Ru2 117.1(4) . .
N4 N3 N2 175.5(7) . .
N3 N4 Co1 136.5(5) . .
C7 N5 C6 124.0(6) . .
C7 N5 Ru1 122.4(6) . .
C6 N5 Ru1 113.5(5) . .
C20 N6 C19 122.3(7) . .
C20 N6 Ru2 124.8(7) . .
C19 N6 Ru2 112.9(5) . .
O1 C1 C2 119.9(6) . .
O1 C1 C6 121.3(6) . .
C2 C1 C6 118.8(6) . .
C3 C2 C1 119.6(7) . .
C2 C3 C4 121.1(7) . .
C5 C4 C3 119.5(7) . .
C6 C5 C4 120.4(7) . .
C5 C6 C1 120.6(7) . .
C5 C6 N5 129.5(7) . .
C1 C6 N5 109.9(6) . .
N5 C7 C8 126.2(8) . .
C13 C8 C9 117.3(7) . .
C13 C8 C7 130.5(7) . .
C9 C8 C7 112.1(7) . .
C10 C9 C8 121.0(7) . .
C11 C10 C9 120.8(7) . .
C12 C11 C10 120.1(8) . .
C11 C12 C13 121.3(7) . .
O2 C13 C12 117.4(6) . .
O2 C13 C8 123.3(6) . .
C12 C13 C8 119.4(6) . .
O3 C14 C19 122.2(7) . .
O3 C14 C15 119.3(7) . .
C19 C14 C15 118.4(7) . .
C16 C15 C14 120.4(7) . .
C15 C16 C17 120.3(8) . .
C18 C17 C16 119.7(8) . .
C17 C18 C19 120.0(8) . .
C18 C19 C14 121.1(8) . .
C18 C19 N6 129.2(7) . .
C14 C19 N6 109.7(7) . .
N6 C20 C21 126.0(10) . .
C22 C21 C26 119.2(7) . .
C22 C21 C20 113.0(7) . .
C26 C21 C20 127.9(7) . .
C23 C22 C21 121.3(7) . .
C22 C23 C24 118.8(8) . .
C25 C24 C23 122.4(8) . .
C24 C25 C26 120.3(7) . .
O4 C26 C25 118.3(6) . .
O4 C26 C21 123.8(6) . .
C25 C26 C21 117.9(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1 1.742(4) .
Ru1 N5 1.987(5) .
Ru1 O1 2.017(4) .
Ru1 O2 2.023(4) .
Ru1 O6 2.059(4) .
Ru1 O5 2.066(4) .
Ru2 N1 1.728(4) .
Ru2 O4 2.009(4) .
Ru2 N6 2.011(6) .
Ru2 O3 2.021(4) .
Ru2 N2 2.111(5) .
Ru2 O7 2.166(4) .
Co1 O6 1.994(4) 2_777
Co1 N4 2.088(5) .
Co1 O5 2.108(4) 2_777
Co1 O5 2.114(4) .
Co1 O8 2.147(4) .
Co1 O2 2.165(4) .
O1 C1 1.348(7) .
O2 C13 1.347(7) .
O3 C14 1.344(8) .
O4 C26 1.340(8) .
O5 C27 1.445(7) .
O5 Co1 2.108(4) 2_777
O6 C28 1.418(8) .
O6 Co1 1.994(4) 2_777
O7 C29 1.418(8) .
O8 C30 1.455(8) .
N2 N3 1.201(7) .
N3 N4 1.140(7) .
N5 C7 1.211(9) .
N5 C6 1.505(9) .
N6 C20 1.169(10) .
N6 C19 1.531(10) .
C1 C2 1.393(9) .
C1 C6 1.406(9) .
C2 C3 1.371(9) .
C3 C4 1.387(11) .
C4 C5 1.372(10) .
C5 C6 1.368(9) .
C7 C8 1.432(10) .
C8 C13 1.410(9) .
C8 C9 1.419(9) .
C9 C10 1.372(12) .
C10 C11 1.366(12) .
C11 C12 1.361(10) .
C12 C13 1.405(9) .
C14 C19 1.389(10) .
C14 C15 1.393(9) .
C15 C16 1.367(10) .
C16 C17 1.400(11) .
C17 C18 1.365(11) .
C18 C19 1.379(11) .
C20 C21 1.454(10) .
C21 C22 1.405(10) .
C21 C26 1.415(10) .
C22 C23 1.359(11) .
C23 C24 1.369(11) .
C24 C25 1.363(10) .
C25 C26 1.397(9) .
O9 C31 1.404(8) .
O10 C32 1.328(15) .
O11 C33 1.374(10) .
O12 C34 1.429(8) .
