#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:22:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179892 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/88/7018802.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_7018802
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            'C68 H96 N12 Ni2 O24 Ru4'
_chemical_formula_weight         1987.27
_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                108.293(3)
_cell_angle_beta                 91.440(3)
_cell_angle_gamma                111.629(3)
_cell_formula_units_Z            1
_cell_length_a                   11.4249(6)
_cell_length_b                   11.8191(5)
_cell_length_c                   17.1649(7)
_cell_measurement_reflns_used    17976
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.94
_cell_volume                     2019.52(17)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0607
_diffrn_reflns_av_sigmaI/netI    0.0749
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17976
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.266
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.298
_refine_diff_density_min         -1.041
_refine_diff_density_rms         0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         7088
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0978
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0928P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1468
_refine_ls_wR_factor_ref         0.1671
_reflns_number_gt                4649
_reflns_number_total             7088
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11810f.txt
_cod_data_source_block           ic14269
_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 
;
_cod_original_cell_volume        2019.52(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018802
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 0.80084(5) 0.85869(6) 0.87323(3) 0.03955(19) Uani 1 1 d .
Ru2 Ru 0.85700(5) 0.77393(6) 0.66988(4) 0.0427(2) Uani 1 1 d U
Ni1 Ni 1.07785(8) 0.91839(9) 0.95677(5) 0.0400(3) Uani 1 1 d .
O1 O 0.7040(4) 0.9626(5) 0.8539(3) 0.0519(14) Uani 1 1 d .
O2 O 0.8925(4) 0.7627(4) 0.9094(3) 0.0452(12) Uani 1 1 d .
O3 O 0.9190(6) 0.9545(5) 0.6656(3) 0.0601(15) Uani 1 1 d .
O4 O 0.7929(5) 0.5833(5) 0.6511(3) 0.0558(14) Uani 1 1 d .
O5 O 0.9721(4) 1.0161(4) 0.9294(3) 0.0401(11) Uani 1 1 d .
O6 O 0.7713(4) 0.9131(5) 0.9942(3) 0.0474(13) Uani 1 1 d .
O7 O 0.8855(5) 0.7123(6) 0.5428(3) 0.0580(14) Uani 1 1 d .
H7 H 0.8719 0.6280 0.5185 0.087 Uiso 1 1 d R
O8 O 1.1789(4) 0.8309(5) 1.0049(3) 0.0490(13) Uani 1 1 d .
H8 H 1.2204 0.8901 1.0541 0.073 Uiso 1 1 d R
N1 N 0.8322(5) 0.8176(5) 0.7713(3) 0.0408(14) Uani 1 1 d .
N2 N 1.0453(6) 0.7943(8) 0.7039(4) 0.064(2) Uani 1 1 d .
N3 N 1.0854(6) 0.8294(6) 0.7753(4) 0.0476(15) Uani 1 1 d .
N4 N 1.1290(6) 0.8633(7) 0.8419(4) 0.062(2) Uani 1 1 d .
N5 N 0.6292(7) 0.7168(8) 0.8366(4) 0.0623(18) Uani 1 1 d U
N6 N 0.6896(7) 0.7623(9) 0.6248(4) 0.077(2) Uani 1 1 d U
C1 C 0.5826(6) 0.8881(8) 0.8187(4) 0.0451(18) Uani 1 1 d .
C2 C 0.5065(7) 0.9417(8) 0.7903(4) 0.052(2) Uani 1 1 d .
H2 H 0.5415 1.0308 0.7957 0.063 Uiso 1 1 calc R
C3 C 0.3811(7) 0.8652(9) 0.7545(5) 0.060(2) Uani 1 1 d .
H3 H 0.3293 0.9021 0.7365 0.072 Uiso 1 1 calc R
C4 C 0.3301(7) 0.7341(10) 0.7448(5) 0.067(3) Uani 1 1 d .
H4 H 0.2437 0.6816 0.7200 0.080 Uiso 1 1 calc R
C5 C 0.4053(8) 0.6799(9) 0.7712(5) 0.064(2) Uani 1 1 d .
H5 H 0.3706 0.5905 0.7649 0.077 Uiso 1 1 calc R
C6 C 0.5294(7) 0.7561(9) 0.8064(5) 0.058(2) Uani 1 1 d U
C7 C 0.6111(10) 0.6089(11) 0.8368(5) 0.071(3) Uani 1 1 d .
H7A H 0.5267 0.5454 0.8156 0.085 Uiso 1 1 calc R
C8 C 0.6984(8) 0.5650(8) 0.8643(5) 0.055(2) Uani 1 1 d .
C9 C 0.6462(9) 0.4320(9) 0.8543(6) 0.076(3) Uani 1 1 d .
H9A H 0.5592 0.3814 0.8303 0.091 Uiso 1 1 calc R
C10 C 0.7159(11) 0.3749(9) 0.8779(6) 0.087(3) Uani 1 1 d .
H10 H 0.6782 0.2845 0.8687 0.104 Uiso 1 1 calc R
C11 C 0.8417(11) 0.4458(10) 0.9153(6) 0.081(3) Uani 1 1 d .
H11 H 0.8890 0.4057 0.9344 0.097 Uiso 1 1 calc R
C12 C 0.8969(8) 0.5732(8) 0.9245(5) 0.057(2) Uani 1 1 d .
H12 H 0.9839 0.6208 0.9493 0.068 Uiso 1 1 calc R
C13 C 0.8305(7) 0.6376(7) 0.8989(4) 0.0459(18) Uani 1 1 d .
C14 C 0.8279(9) 0.9881(8) 0.6426(5) 0.057(2) Uani 1 1 d .
C15 C 0.8606(9) 1.1114(8) 0.6403(6) 0.066(2) Uani 1 1 d .
H15 H 0.9462 1.1734 0.6583 0.080 Uiso 1 1 calc R
C16 C 0.7682(10) 1.1439(10) 0.6117(6) 0.081(3) Uani 1 1 d .
H16 H 0.7913 1.2280 0.6085 0.097 Uiso 1 1 calc R
C17 C 0.6413(10) 1.0555(11) 0.5873(6) 0.083(3) Uani 1 1 d .
H17 H 0.5779 1.0794 0.5687 0.100 Uiso 1 1 calc R
C18 C 0.6096(9) 0.9340(10) 0.5906(6) 0.078(3) Uani 1 1 d .
H18 H 0.5235 0.8730 0.5743 0.093 Uiso 1 1 calc R
C19 C 0.7006(9) 0.8995(11) 0.6172(5) 0.077(2) Uani 1 1 d U
C20 C 0.5896(12) 0.6832(11) 0.6071(7) 0.092(3) Uiso 1 1 d U
H20 H 0.5188 0.6966 0.5879 0.110 Uiso 1 1 calc R
C21 C 0.5753(8) 0.5585(8) 0.6156(5) 0.057(2) Uani 1 1 d U
C22 C 0.4454(9) 0.4732(10) 0.5994(5) 0.069(3) Uani 1 1 d .
H22 H 0.3834 0.5025 0.5853 0.083 Uiso 1 1 calc R
C23 C 0.4049(9) 0.3535(10) 0.6028(6) 0.076(3) Uani 1 1 d .
H23 H 0.3167 0.2987 0.5907 0.092 Uiso 1 1 calc R
C24 C 0.4955(9) 0.3119(9) 0.6244(6) 0.072(3) Uani 1 1 d .
H24 H 0.4687 0.2278 0.6281 0.086 Uiso 1 1 calc R
C25 C 0.6221(8) 0.3894(8) 0.6404(5) 0.063(2) Uani 1 1 d .
H25 H 0.6821 0.3580 0.6546 0.075 Uiso 1 1 calc R
C26 C 0.6653(7) 0.5127(7) 0.6364(5) 0.0498(19) Uani 1 1 d .
C27 C 1.0259(7) 1.1053(7) 0.8872(4) 0.0455(18) Uani 1 1 d .
H27A H 0.9608 1.1322 0.8701 0.068 Uiso 1 1 calc R
H27B H 1.0563 1.0633 0.8379 0.068 Uiso 1 1 calc R
H27C H 1.0975 1.1817 0.9244 0.068 Uiso 1 1 calc R
C28 C 0.6520(7) 0.8762(9) 1.0217(5) 0.065(2) Uani 1 1 d .
H28A H 0.5910 0.8892 0.9879 0.097 Uiso 1 1 calc R
H28B H 0.6616 0.9293 1.0801 0.097 Uiso 1 1 calc R
H28C H 0.6207 0.7844 1.0161 0.097 Uiso 1 1 calc R
C29 C 0.9532(11) 0.7882(11) 0.4976(6) 0.091(3) Uani 1 1 d .
H29A H 1.0373 0.8486 0.5300 0.137 Uiso 1 1 calc R
H29B H 0.9061 0.8373 0.4863 0.137 Uiso 1 1 calc R
H29C H 0.9636 0.7318 0.4450 0.137 Uiso 1 1 calc R
C30 C 1.2673(8) 0.7828(9) 0.9582(5) 0.068(3) Uani 1 1 d .
H30A H 1.3181 0.8457 0.9336 0.103 Uiso 1 1 calc R
H30B H 1.2186 0.6994 0.9141 0.103 Uiso 1 1 calc R
H30C H 1.3241 0.7710 0.9960 0.103 Uiso 1 1 calc R
O9 O 0.9725(7) 0.4789(7) 0.6530(4) 0.0767(18) Uani 1 1 d .
H9 H 0.9307 0.5245 0.6535 0.115 Uiso 1 1 calc R
C31 C 1.0016(10) 0.4834(10) 0.7340(6) 0.082(3) Uani 1 1 d .
H31A H 1.0561 0.4358 0.7340 0.123 Uiso 1 1 calc R
H31B H 0.9226 0.4434 0.7541 0.123 Uiso 1 1 calc R
H31C H 1.0466 0.5739 0.7706 0.123 Uiso 1 1 calc R
O10 O 0.8345(8) 0.8657(8) 0.3024(6) 0.111(3) Uani 1 1 d D
H10A H 0.9117 0.9168 0.3143 0.167 Uiso 1 1 calc R
C32 C 0.759(2) 0.936(2) 0.3321(13) 0.219(10) Uiso 1 1 d D
H32A H 0.7036 0.8971 0.3678 0.329 Uiso 1 1 calc R
H32B H 0.7055 0.9324 0.2850 0.329 Uiso 1 1 calc R
H32C H 0.8136 1.0262 0.3641 0.329 Uiso 1 1 calc R
O11 O 0.7051(9) 0.6156(9) 0.2021(6) 0.137(4) Uani 1 1 d D
H11A H 0.7712 0.6697 0.2360 0.205 Uiso 1 1 calc R
C33 C 0.7348(16) 0.5846(14) 0.1228(9) 0.157(7) Uani 1 1 d D
H33A H 0.7032 0.6273 0.0918 0.236 Uiso 1 1 calc R
H33B H 0.6948 0.4903 0.0943 0.236 Uiso 1 1 calc R
H33C H 0.8276 0.6141 0.1258 0.236 Uiso 1 1 calc R
O12 O 0.8502(6) 0.4810(6) 0.4467(4) 0.0776(19) Uani 1 1 d .
H12A H 0.9012 0.4814 0.4123 0.116 Uiso 1 1 calc R
C34 C 0.8066(9) 0.3588(9) 0.4602(6) 0.075(3) Uani 1 1 d .
H34A H 0.8009 0.2897 0.4086 0.112 Uiso 1 1 calc R
H34B H 0.7224 0.3403 0.4773 0.112 Uiso 1 1 calc R
H34C H 0.8669 0.3634 0.5039 0.112 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'
Ni Ni 0.3393 1.1124 '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 90.2(3) . .
N1 Ru1 O2 95.1(2) . .
N5 Ru1 O2 98.1(3) . .
N1 Ru1 O1 93.2(2) . .
N5 Ru1 O1 82.0(3) . .
O2 Ru1 O1 171.78(19) . .
N1 Ru1 O6 177.7(2) . .
N5 Ru1 O6 92.1(2) . .
O2 Ru1 O6 84.7(2) . .
O1 Ru1 O6 87.1(2) . .
N1 Ru1 O5 98.6(2) . .
N5 Ru1 O5 171.1(2) . .
O2 Ru1 O5 82.27(19) . .
O1 Ru1 O5 96.33(19) . .
O6 Ru1 O5 79.10(18) . .
N1 Ru2 N6 94.2(3) . .
N1 Ru2 O4 95.0(2) . .
N6 Ru2 O4 93.7(3) . .
N1 Ru2 O3 95.4(2) . .
N6 Ru2 O3 83.2(3) . .
O4 Ru2 O3 169.4(2) . .
N1 Ru2 N2 92.7(2) . .
N6 Ru2 N2 172.0(3) . .
O4 Ru2 N2 89.9(3) . .
O3 Ru2 N2 92.0(3) . .
N1 Ru2 O7 178.0(2) . .
N6 Ru2 O7 86.0(3) . .
O4 Ru2 O7 83.0(2) . .
O3 Ru2 O7 86.7(2) . .
N2 Ru2 O7 87.3(2) . .
O6 Ni1 O5 81.09(18) 2_777 2_777
O6 Ni1 N4 96.8(3) 2_777 .
O5 Ni1 N4 176.5(3) 2_777 .
O6 Ni1 O5 89.9(2) 2_777 .
O5 Ni1 O5 80.4(2) 2_777 .
N4 Ni1 O5 96.8(2) . .
O6 Ni1 O8 88.2(2) 2_777 .
O5 Ni1 O8 90.07(18) 2_777 .
N4 Ni1 O8 92.7(2) . .
O5 Ni1 O8 170.43(18) . .
O6 Ni1 O2 167.70(19) 2_777 .
O5 Ni1 O2 92.20(18) 2_777 .
N4 Ni1 O2 89.3(2) . .
O5 Ni1 O2 78.81(18) . .
O8 Ni1 O2 102.2(2) . .
C1 O1 Ru1 112.6(5) . .
C13 O2 Ru1 119.9(4) . .
C13 O2 Ni1 140.9(5) . .
Ru1 O2 Ni1 99.1(2) . .
C14 O3 Ru2 115.0(5) . .
C26 O4 Ru2 118.9(5) . .
C27 O5 Ni1 119.0(4) . 2_777
C27 O5 Ru1 118.3(4) . .
Ni1 O5 Ru1 97.90(19) 2_777 .
C27 O5 Ni1 118.6(4) . .
Ni1 O5 Ni1 99.6(2) 2_777 .
Ru1 O5 Ni1 99.2(2) . .
C28 O6 Ni1 127.4(5) . 2_777
C28 O6 Ru1 125.8(4) . .
Ni1 O6 Ru1 100.4(2) 2_777 .
C29 O7 Ru2 128.6(6) . .
C30 O8 Ni1 121.3(5) . .
Ru2 N1 Ru1 177.9(3) . .
N3 N2 Ru2 118.3(5) . .
N4 N3 N2 176.6(8) . .
N3 N4 Ni1 138.0(6) . .
C7 N5 C6 125.5(8) . .
C7 N5 Ru1 121.1(7) . .
C6 N5 Ru1 113.4(6) . .
C20 N6 C19 115.1(9) . .
C20 N6 Ru2 133.6(10) . .
C19 N6 Ru2 111.3(6) . .
O1 C1 C6 121.7(7) . .
O1 C1 C2 120.0(7) . .
C6 C1 C2 118.2(7) . .
C3 C2 C1 120.0(8) . .
C2 C3 C4 120.2(8) . .
C5 C4 C3 120.1(8) . .
C6 C5 C4 119.4(9) . .
C5 C6 C1 121.9(9) . .
C5 C6 N5 128.4(9) . .
C1 C6 N5 109.7(7) . .
N5 C7 C8 128.8(10) . .
C9 C8 C7 114.3(9) . .
C9 C8 C13 117.5(8) . .
C7 C8 C13 128.2(8) . .
C10 C9 C8 122.0(9) . .
C9 C10 C11 120.8(9) . .
C12 C11 C10 119.4(9) . .
C11 C12 C13 122.5(8) . .
O2 C13 C12 118.7(7) . .
O2 C13 C8 123.6(7) . .
C12 C13 C8 117.7(7) . .
O3 C14 C15 119.2(8) . .
O3 C14 C19 121.6(8) . .
C15 C14 C19 119.1(9) . .
C16 C15 C14 119.4(9) . .
C15 C16 C17 121.2(10) . .
C18 C17 C16 118.9(9) . .
C19 C18 C17 120.6(10) . .
C18 C19 C14 120.8(11) . .
C18 C19 N6 130.4(9) . .
C14 C19 N6 108.8(8) . .
N6 C20 C21 116.6(12) . .
C26 C21 C22 117.1(8) . .
C26 C21 C20 132.1(9) . .
C22 C21 C20 110.8(8) . .
C23 C22 C21 123.5(9) . .
C22 C23 C24 118.1(9) . .
C25 C24 C23 121.2(10) . .
C24 C25 C26 121.4(9) . .
O4 C26 C25 118.2(7) . .
O4 C26 C21 123.0(7) . .
C25 C26 C21 118.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1 1.747(6) .
Ru1 N5 1.976(7) .
Ru1 O2 2.013(5) .
Ru1 O1 2.020(5) .
Ru1 O6 2.048(5) .
Ru1 O5 2.077(4) .
Ru2 N1 1.716(6) .
Ru2 N6 1.985(7) .
Ru2 O4 2.008(5) .
Ru2 O3 2.012(6) .
Ru2 N2 2.120(6) .
Ru2 O7 2.147(5) .
Ni1 O6 1.998(5) 2_777
Ni1 O5 2.043(5) 2_777
Ni1 N4 2.047(6) .
Ni1 O5 2.087(5) .
Ni1 O8 2.110(5) .
Ni1 O2 2.152(5) .
O1 C1 1.337(8) .
O2 C13 1.333(9) .
O3 C14 1.334(10) .
O4 C26 1.356(9) .
O5 C27 1.429(8) .
O5 Ni1 2.043(5) 2_777
O6 C28 1.412(8) .
O6 Ni1 1.998(5) 2_777
O7 C29 1.400(12) .
O8 C30 1.470(8) .
N2 N3 1.182(9) .
N3 N4 1.119(8) .
N5 C7 1.215(11) .
N5 C6 1.515(11) .
N6 C20 1.135(13) .
N6 C19 1.626(14) .
C1 C6 1.392(12) .
C1 C2 1.406(10) .
C2 C3 1.378(11) .
C3 C4 1.392(13) .
C4 C5 1.386(12) .
C5 C6 1.365(11) .
C7 C8 1.414(12) .
C8 C9 1.411(12) .
C8 C13 1.430(11) .
C9 C10 1.344(14) .
C10 C11 1.381(14) .
C11 C12 1.354(13) .
C12 C13 1.402(11) .
C14 C15 1.378(12) .
C14 C19 1.400(13) .
C15 C16 1.376(12) .
C16 C17 1.396(14) .
C17 C18 1.366(14) .
C18 C19 1.364(14) .
C20 C21 1.476(14) .
C21 C26 1.411(11) .
C21 C22 1.413(12) .
C22 C23 1.337(14) .
C23 C24 1.385(13) .
C24 C25 1.361(12) .
C25 C26 1.380(11) .
O9 C31 1.402(11) .
O10 C32 1.408(14) .
O11 C33 1.381(12) .
O12 C34 1.439(11) .
