#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:29:14 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179581 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/46/4504650.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_4504650
loop_
_publ_author_name
'Wu, Jing-Yun'
'Yeh, Tzu-Tang'
'Wen, Yuh-Sheng'
'Twu, Jen'
'Lu, Kuang-Lieh'
_publ_section_title
;
 Unusual Robust Luminescent Porous Frameworks Self-Assembled from
 Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              467
_journal_paper_doi               10.1021/cg050393j
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C36 H26 N6 O16 Tb2'
_chemical_formula_weight         1116.47
_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                95.031(11)
_cell_angle_beta                 103.576(12)
_cell_angle_gamma                101.060(8)
_cell_formula_units_Z            2
_cell_length_a                   11.3645(13)
_cell_length_b                   12.1930(8)
_cell_length_c                   14.271(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1868.2(4)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega/2theta 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  0.0135
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6929
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    3.840
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.7679
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1084
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.398
_refine_diff_density_min         -3.138
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         6563
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0685P)²+1.3501P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0950
_reflns_number_gt                5652
_reflns_number_total             6563
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050393jsi20050808_100251.cif
_cod_data_source_block           compound_3_i5985
_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_sg_symbol_H-M      P-1
_cod_database_code               4504650
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
Tb1 Tb 0.70661(2) 0.636002(17) 0.110715(14) 0.01686(9) Uani 1 1 d
Tb2 Tb 0.894792(18) 0.834064(16) 0.365471(14) 0.01395(9) Uani 1 1 d
O1 O 0.8460(3) 0.6249(3) 0.2571(3) 0.0256(8) Uani 1 1 d
O2 O 0.9024(4) 0.6491(3) 0.4163(3) 0.0270(8) Uani 1 1 d
O3 O 0.7953(3) 0.8379(3) 0.1958(2) 0.0218(7) Uani 1 1 d
O4 O 0.7414(4) 0.8065(3) 0.0360(3) 0.0339(9) Uani 1 1 d
O5 O 0.5978(3) 0.6388(3) 0.2292(3) 0.0341(9) Uani 1 1 d
O6 O 0.6930(3) 0.7545(3) 0.3665(3) 0.0249(8) Uani 1 1 d
O7 O 0.9363(3) 0.8630(3) 0.5294(2) 0.0240(8) Uani 1 1 d
O8 O 1.0139(3) 1.0037(3) 0.3433(2) 0.0240(7) Uani 1 1 d
O9 O 0.6435(4) 0.4446(3) 0.1027(3) 0.0328(9) Uani 1 1 d
O10 O 0.4940(3) 0.6245(3) 0.0393(2) 0.0257(8) Uani 1 1 d
O11 O 1.0878(3) 0.8062(3) 0.3570(3) 0.0299(8) Uani 1 1 d
O12 O 1.1037(4) 0.7866(6) 0.2047(3) 0.0705(18) Uani 1 1 d
O81 O 0.6743(4) 0.5702(4) -0.0611(3) 0.0331(9) Uani 1 1 d
O82 O 0.9048(4) 0.6427(5) 0.0857(3) 0.0480(12) Uani 1 1 d
O83 O 0.7903(3) 0.9855(3) 0.3942(3) 0.0237(7) Uani 1 1 d
O91 O 0.9632(7) 0.5787(5) 0.9236(5) 0.083(2) Uani 1 1 d
N1 N 0.8416(4) 0.2306(3) 0.3474(3) 0.0226(9) Uani 1 1 d
N2 N 0.8726(5) 0.2285(3) 0.1017(3) 0.0344(11) Uani 1 1 d
N11 N 0.3283(4) 0.5139(4) 0.4446(3) 0.0309(10) Uani 1 1 d
N12 N 1.2686(5) 1.3162(4) 0.2280(3) 0.0330(11) Uani 1 1 d
N21 N 0.4996(5) 0.0356(4) 0.1254(3) 0.0363(11) Uani 1 1 d
N31 N 1.5413(4) 0.9544(4) 0.3902(3) 0.0223(9) Uani 1 1 d
C1 C 0.8493(5) 0.2737(4) 0.2645(3) 0.0206(10) Uani 1 1 d
C2 C 0.8604(5) 0.3875(4) 0.2573(4) 0.0205(10) Uani 1 1 d
C3 C 0.8630(4) 0.4613(4) 0.3383(3) 0.0183(9) Uani 1 1 d
C4 C 0.8580(5) 0.4178(4) 0.4245(4) 0.0236(10) Uani 1 1 d
C5 C 0.8467(5) 0.3029(4) 0.4250(4) 0.0246(11) Uani 1 1 d
C6 C 0.8715(4) 0.5848(4) 0.3371(3) 0.0200(10) Uani 1 1 d
C7 C 0.8447(5) 0.1894(4) 0.1800(3) 0.0219(10) Uani 1 1 d
C8 C 0.8141(5) 0.0743(4) 0.1850(4) 0.0217(10) Uani 1 1 d
C9 C 0.8150(5) 0.9973(4) 0.1085(3) 0.0228(10) Uani 1 1 d
C10 C 0.8413(7) 1.0371(5) 0.0260(4) 0.0370(14) Uani 1 1 d
C11 C 0.8706(8) 0.1529(5) 0.0266(4) 0.0463(18) Uani 1 1 d
C12 C 0.7834(5) 0.8740(4) 0.1136(3) 0.0224(10) Uani 1 1 d
C13 C 0.3443(5) 0.4673(4) 0.3618(4) 0.0229(10) Uani 1 1 d
C14 C 0.4340(5) 0.5189(4) 0.3187(4) 0.0221(10) Uani 1 1 d
C15 C 0.5111(4) 0.6217(4) 0.3621(3) 0.0199(10) Uani 1 1 d
C16 C 0.4944(6) 0.6697(5) 0.4481(4) 0.0274(13) Uani 1 1 d
C17 C 0.4031(6) 0.6145(5) 0.4857(5) 0.0369(14) Uani 1 1 d
C18 C 0.6088(5) 0.6761(4) 0.3163(4) 0.0210(10) Uani 1 1 d
C19 C 1.2671(5) 1.3526(4) 0.3191(4) 0.0260(11) Uani 1 1 d
C20 C 1.2020(5) 1.2862(4) 0.3726(4) 0.0229(10) Uani 1 1 d
C21 C 1.1401(4) 1.1771(4) 0.3331(3) 0.0211(10) Uani 1 1 d
C22 C 1.1448(5) 1.1378(5) 0.2400(4) 0.0324(13) Uani 1 1 d
C23 C 1.2076(6) 1.2104(5) 0.1898(4) 0.0409(15) Uani 1 1 d
C24 C 1.0675(4) 1.0997(4) 0.3874(3) 0.0161(9) Uani 1 1 d
C25 C 0.5080(5) 0.0520(4) 0.0347(4) 0.0254(11) Uani 1 1 d
C26 C 0.5311(5) 0.1576(4) 0.0071(4) 0.0259(11) Uani 1 1 d
C27 C 0.5472(5) 0.2512(4) 0.0751(4) 0.0239(11) Uani 1 1 d
C28 C 0.5416(6) 0.2360(4) 0.1686(4) 0.0300(12) Uani 1 1 d
C29 C 0.5156(7) 0.1275(5) 0.1900(4) 0.0405(15) Uani 1 1 d
C30 C 0.5668(5) 0.3652(4) 0.0448(4) 0.0225(10) Uani 1 1 d
C31 C 1.4687(4) 0.9673(4) 0.4506(4) 0.0209(10) Uani 1 1 d
C32 C 1.3416(5) 0.9220(5) 0.4215(4) 0.0247(11) Uani 1 1 d
C33 C 1.2867(5) 0.8636(4) 0.3284(4) 0.0257(11) Uani 1 1 d
C34 C 1.3620(5) 0.8515(5) 0.2665(4) 0.0288(11) Uani 1 1 d
C35 C 1.4883(5) 0.8972(4) 0.3013(4) 0.0228(10) Uani 1 1 d
C36 C 1.1490(5) 0.8143(5) 0.2944(4) 0.0307(12) Uani 1 1 d
H2 H 0.869(5) 0.407(4) 0.198(4) 0.018(13) Uiso 1 1 d
H4 H 0.859(6) 0.473(5) 0.492(5) 0.039(17) Uiso 1 1 d
H5 H 0.850(5) 0.271(4) 0.489(4) 0.022(14) Uiso 1 1 d
H8 H 0.794(5) 0.054(5) 0.233(4) 0.027(16) Uiso 1 1 d
H10 H 0.845(6) 0.992(5) -0.021(5) 0.040(18) Uiso 1 1 d
H11 H 0.887(7) 0.179(7) -0.025(6) 0.07(2) Uiso 1 1 d
H14 H 0.437(5) 0.487(5) 0.268(4) 0.022(14) Uiso 1 1 d
H16 H 0.533(5) 0.711(5) 0.467(4) 0.012(16) Uiso 1 1 d
H17 H 0.392(5) 0.640(5) 0.537(4) 0.024(15) Uiso 1 1 d
H20 H 1.195(4) 1.311(4) 0.428(4) 0.013(12) Uiso 1 1 d
H22 H 1.110(6) 1.065(6) 0.213(5) 0.039(17) Uiso 1 1 d
H23 H 1.215(6) 1.190(6) 0.124(5) 0.049(19) Uiso 1 1 d
H26 H 0.530(5) 0.167(5) -0.056(4) 0.027(15) Uiso 1 1 d
H28 H 0.548(6) 0.301(5) 0.218(5) 0.040(17) Uiso 1 1 d
H29 H 0.505(5) 0.114(5) 0.247(4) 0.020(14) Uiso 1 1 d
H32 H 1.288(6) 0.938(6) 0.453(5) 0.042(19) Uiso 1 1 d
H34 H 1.338(5) 0.814(5) 0.208(4) 0.020(13) Uiso 1 1 d
H35 H 1.543(6) 0.886(5) 0.258(5) 0.045(19) Uiso 1 1 d
H81A H 0.629(7) 0.513(7) -0.078(6) 0.05(2) Uiso 1 1 d
H81B H 0.691(6) 0.593(5) -0.109(5) 0.033(17) Uiso 1 1 d
H82A H 0.971(7) 0.677(6) 0.123(5) 0.04(2) Uiso 1 1 d
H83A H 0.824(6) 1.051(6) 0.395(4) 0.033(17) Uiso 1 1 d
H83B H 0.705(5) 0.973(4) 0.406(4) 0.017(13) Uiso 1 1 d
H91A H 1.013(8) 0.613(7) 0.891(7) 0.08(3) Uiso 1 1 d
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'
Tb Tb -0.1723 4.1537 '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
O9 Tb1 O5 82.86(14) . .
O9 Tb1 O1 85.16(12) . .
O5 Tb1 O1 73.72(14) . .
O9 Tb1 O82 98.73(17) . .
O5 Tb1 O82 143.69(15) . .
O1 Tb1 O82 70.31(15) . .
O9 Tb1 O10 83.33(13) . .
O5 Tb1 O10 69.39(13) . .
O1 Tb1 O10 142.39(13) . .
O82 Tb1 O10 146.92(14) . .
O9 Tb1 O4 152.20(12) . .
O5 Tb1 O4 116.41(14) . .
O1 Tb1 O4 118.37(12) . .
O82 Tb1 O4 77.77(17) . .
O10 Tb1 O4 85.24(13) . .
O9 Tb1 O81 77.46(14) . .
O5 Tb1 O81 140.48(14) . .
O1 Tb1 O81 136.91(14) . .
O82 Tb1 O81 73.78(15) . .
O10 Tb1 O81 74.51(14) . .
O4 Tb1 O81 75.09(14) . .
O9 Tb1 O3 155.48(12) . .
O5 Tb1 O3 79.75(12) . .
O1 Tb1 O3 73.48(11) . .
O82 Tb1 O3 85.50(15) . .
O10 Tb1 O3 106.25(11) . .
O4 Tb1 O3 52.32(11) . .
O81 Tb1 O3 126.58(13) . .
O7 Tb2 O11 96.65(14) . .
O7 Tb2 O6 86.60(12) . .
O11 Tb2 O6 147.68(13) . .
O7 Tb2 O8 98.45(12) . .
O11 Tb2 O8 71.24(13) . .
O6 Tb2 O8 140.26(12) . .
O7 Tb2 O3 160.14(13) . .
O11 Tb2 O3 101.85(13) . .
O6 Tb2 O3 81.66(12) . .
O8 Tb2 O3 80.92(11) . .
O7 Tb2 O83 77.62(13) . .
O11 Tb2 O83 140.61(13) . .
O6 Tb2 O83 71.55(12) . .
O8 Tb2 O83 71.19(12) . .
O3 Tb2 O83 83.47(12) . .
O7 Tb2 O2 74.70(12) . .
O11 Tb2 O2 75.11(13) . .
O6 Tb2 O2 74.81(13) . .
O8 Tb2 O2 144.61(13) . .
O3 Tb2 O2 116.98(11) . .
O83 Tb2 O2 137.20(12) . .
O7 Tb2 O1 123.90(11) . .
O11 Tb2 O1 75.60(12) . .
O6 Tb2 O1 76.00(12) . .
O8 Tb2 O1 128.46(11) . .
O3 Tb2 O1 68.55(10) . .
O83 Tb2 O1 139.68(11) . .
O2 Tb2 O1 49.39(11) . .
C6 O1 Tb1 150.9(3) . .
C6 O1 Tb2 87.6(3) . .
Tb1 O1 Tb2 105.38(12) . .
C6 O2 Tb2 103.0(3) . .
C12 O3 Tb2 155.6(3) . .
C12 O3 Tb1 90.4(3) . .
Tb2 O3 Tb1 109.12(12) . .
C18 O5 Tb1 142.6(3) . .
C18 O6 Tb2 135.9(3) . .
C24 O7 Tb2 159.8(3) 2_776 .
C24 O8 Tb2 141.1(3) . .
C30 O9 Tb1 137.3(3) . .
C30 O10 Tb1 133.6(3) 2_665 .
C36 O11 Tb2 135.2(4) . .
C5 N1 C1 117.3(4) . .
C7 N2 C11 117.9(4) . .
C13 N11 C17 117.1(5) . .
C23 N12 C19 117.7(5) . .
C29 N21 C25 117.4(5) . .
C35 N31 C31 118.3(4) . .
N1 C1 C2 122.8(4) . .
N1 C1 C7 115.3(4) . .
C2 C1 C7 121.9(4) . .
C1 C2 C3 119.1(4) . .
C4 C3 C2 118.4(4) . .
C4 C3 C6 118.5(4) . .
C2 C3 C6 123.1(4) . .
C5 C4 C3 118.6(5) . .
N1 C5 C4 123.8(5) . .
O2 C6 O1 120.0(4) . .
O2 C6 C3 119.0(4) . .
O1 C6 C3 121.0(4) . .
N2 C7 C8 121.8(5) . .
N2 C7 C1 117.9(4) . .
C8 C7 C1 120.3(4) . .
C9 C8 C7 119.9(5) 1_545 .
C8 C9 C10 118.6(5) 1_565 .
C8 C9 C12 120.3(4) 1_565 .
C10 C9 C12 121.0(5) . .
C9 C10 C11 117.9(5) . 1_565
N2 C11 C10 123.8(5) . 1_545
O3 C12 C9 120.4(4) . .
N11 C13 C14 122.3(4) . .
N11 C13 C19 117.4(4) . 1_445
C14 C13 C19 120.3(4) . 1_445
C15 C14 C13 120.1(5) . .
C16 C15 C14 117.5(5) . .
C16 C15 C18 122.6(5) . .
C14 C15 C18 119.9(4) . .
C17 C16 C15 119.1(5) . .
N11 C17 C16 123.9(5) . .
O6 C18 O5 125.5(5) . .
O6 C18 C15 118.0(4) . .
O5 C18 C15 116.5(4) . .
N12 C19 C20 122.4(5) . .
N12 C19 C13 116.0(4) . 1_665
C20 C19 C13 121.5(5) . 1_665
C21 C20 C19 119.5(5) . .
C20 C21 C22 118.3(5) . .
C20 C21 C24 122.4(4) . .
C22 C21 C24 119.3(4) . .
C23 C22 C21 118.8(5) . .
N12 C23 C22 123.2(5) . .
O7 C24 O8 125.4(4) 2_776 .
O7 C24 C21 118.2(4) 2_776 .
O8 C24 C21 116.4(4) . .
N21 C25 C26 122.7(5) . .
N21 C25 C25 116.0(5) . 2_655
C26 C25 C25 121.4(6) . 2_655
C25 C26 C27 118.9(5) . .
C28 C27 C26 119.2(5) . .
C28 C27 C30 121.6(5) . .
C26 C27 C30 119.2(5) . .
C29 C28 C27 118.4(5) . .
N21 C29 C28 123.5(5) . .
O9 C30 O10 124.2(4) . 2_665
O9 C30 C27 118.5(4) . .
O10 C30 C27 117.3(4) 2_665 .
N31 C31 C32 121.0(5) . .
N31 C31 C31 116.8(5) . 2_876
C32 C31 C31 122.2(6) . 2_876
C31 C32 C33 120.4(5) . .
C34 C33 C32 118.2(5) . .
C34 C33 C36 120.1(5) . .
C32 C33 C36 121.7(5) . .
C33 C34 C35 118.1(5) . .
N31 C35 C34 123.9(5) . .
O12 C36 O11 124.7(5) . .
O12 C36 C33 117.0(5) . .
O11 C36 C33 118.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O9 2.291(3) .
Tb1 O5 2.319(4) .
Tb1 O1 2.339(3) .
Tb1 O82 2.349(5) .
Tb1 O10 2.363(3) .
Tb1 O4 2.427(3) .
Tb1 O81 2.432(4) .
Tb1 O3 2.549(3) .
Tb2 O7 2.257(3) .
Tb2 O11 2.312(4) .
Tb2 O6 2.317(3) .
Tb2 O8 2.335(3) .
Tb2 O3 2.429(3) .
Tb2 O83 2.434(3) .
Tb2 O2 2.440(3) .
Tb2 O1 2.751(4) .
O1 C6 1.274(6) .
O2 C6 1.252(6) .
O3 C12 1.276(6) .
O5 C18 1.253(6) .
O6 C18 1.244(6) .
O7 C24 1.247(6) 2_776
O8 C24 1.247(6) .
O9 C30 1.255(6) .
O10 C30 1.266(6) 2_665
O11 C36 1.254(7) .
O12 C36 1.251(7) .
N1 C5 1.337(6) .
N1 C1 1.350(6) .
N2 C7 1.334(7) .
N2 C11 1.344(7) .
N11 C13 1.333(7) .
N11 C17 1.346(7) .
N12 C23 1.341(7) .
N12 C19 1.342(7) .
N21 C29 1.342(7) .
N21 C25 1.349(7) .
N31 C35 1.336(7) .
N31 C31 1.345(6) .
C1 C2 1.385(7) .
C1 C7 1.498(7) .
C2 C3 1.392(7) .
C3 C4 1.390(7) .
C3 C6 1.492(6) .
C4 C5 1.383(7) .
C7 C8 1.393(7) .
C8 C9 1.379(7) 1_545
C9 C8 1.379(7) 1_565
C9 C10 1.386(7) .
C9 C12 1.490(7) .
C10 C11 1.387(8) 1_565
C11 C10 1.387(8) 1_545
C13 C14 1.388(7) .
C13 C19 1.493(7) 1_445
C14 C15 1.382(7) .
C15 C16 1.382(8) .
C15 C18 1.496(7) .
C16 C17 1.369(8) .
C19 C20 1.389(7) .
C19 C13 1.493(7) 1_665
C20 C21 1.380(7) .
C21 C22 1.389(7) .
C21 C24 1.517(7) .
C22 C23 1.383(8) .
C24 O7 1.247(6) 2_776
C25 C26 1.375(7) .
C25 C25 1.493(10) 2_655
C26 C27 1.386(7) .
C27 C28 1.378(7) .
C27 C30 1.484(7) .
C28 C29 1.376(8) .
C30 O10 1.266(6) 2_665
C31 C32 1.392(7) .
C31 C31 1.498(10) 2_876
C32 C33 1.392(7) .
C33 C34 1.383(7) .
C33 C36 1.508(7) .
C34 C35 1.389(7) .
