#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:46:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179935 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/30/7023022.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_7023022
loop_
_publ_author_name
'Gai, Yan-Li'
'Jiang, Fei-Long'
'Chen, Lian'
'Bu, Yang'
'Wu, Ming-Yan'
'Zhou, Kang'
'Pan, Jie'
'Hong, Mao-Chun'
_publ_section_title
;
 A series of novel zinc(II) entangled coordination polymers based on
 carboxyphenyl-terpyridine ligands.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9954
_journal_page_last               9965
_journal_paper_doi               10.1039/c3dt50532d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C88 H66 N12 O13 Zn2'
_chemical_formula_weight         1630.27
_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                100.459(4)
_cell_angle_beta                 95.864(19)
_cell_angle_gamma                102.289(19)
_cell_formula_units_Z            1
_cell_length_a                   9.887(5)
_cell_length_b                   12.748(4)
_cell_length_c                   15.965(5)
_cell_measurement_reflns_used    5222
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5205
_cell_measurement_theta_min      2.8006
_cell_volume                     1912.6(13)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_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      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  Mercury70_(2x2_bin_mode)
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0290
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23707
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  0.8723
_exptl_absorpt_correction_T_min  0.7665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             842
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.849
_refine_diff_density_min         -0.558
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         8728
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0732
_refine_ls_R_factor_gt           0.0588
_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)+(0.1056P)²+0.9081P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1667
_refine_ls_wR_factor_ref         0.1802
_reflns_number_gt                7004
_reflns_number_total             8728
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50532d.txt
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7023022
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.74883(4) -0.31651(2) 0.45334(2) 0.03970(14) Uani 1 1 d . . .
O1 O 0.8513(3) -0.2425(2) 0.37449(19) 0.0736(8) Uani 1 1 d . . .
O2 O 0.8991(4) -0.3909(2) 0.3027(2) 0.0786(9) Uani 1 1 d . . .
O3 O 0.6568(3) -1.20065(17) 0.49145(17) 0.0556(6) Uani 1 1 d . . .
O4 O 0.6988(3) -1.14221(18) 0.63272(16) 0.0546(6) Uani 1 1 d . . .
O5 O 1.4320(7) 0.3419(6) -0.0968(5) 0.0865(19) Uani 0.50 1 d P . .
O6 O 1.3377(6) -0.3190(4) -0.0123(4) 0.1413(18) Uani 1 1 d . . .
O7A O 0.6731(8) -0.5159(5) 0.1617(4) 0.124(2) Uani 0.80 1 d P A 1
O7B O 0.725(3) -0.560(2) 0.1995(17) 0.125(8) Uani 0.20 1 d P B 2
N1 N 1.4141(5) 0.0317(4) -0.1461(3) 0.0983(14) Uani 1 1 d . . .
N2 N 1.2516(3) 0.1082(3) -0.01930(19) 0.0571(6) Uani 1 1 d U . .
N3 N 1.2255(5) 0.3276(3) 0.0227(3) 0.0796(11) Uani 1 1 d . . .
N4 N 0.5650(3) -0.4177(2) 0.36557(17) 0.0439(6) Uani 1 1 d . . .
N5 N 0.7291(2) -0.47277(18) 0.47817(15) 0.0334(5) Uani 1 1 d . . .
N6 N 0.9146(3) -0.29638(19) 0.56027(18) 0.0423(6) Uani 1 1 d . . .
C1 C 0.8985(3) -0.2937(3) 0.3132(2) 0.0499(8) Uani 1 1 d . . .
C2 C 0.9588(3) -0.2252(3) 0.2525(2) 0.0427(7) Uani 1 1 d . . .
C3 C 1.0338(4) -0.2660(3) 0.1923(2) 0.0536(8) Uani 1 1 d . . .
H3 H 1.0438 -0.3377 0.1875 0.064 Uiso 1 1 calc R . .
C4 C 1.0952(4) -0.2022(3) 0.1384(2) 0.0520(8) Uani 1 1 d . . .
H4 H 1.1465 -0.2312 0.0984 0.062 Uiso 1 1 calc R . .
C5 C 1.0807(3) -0.0954(2) 0.14371(18) 0.0395(6) Uani 1 1 d . . .
C6 C 0.9444(4) -0.1186(3) 0.2580(2) 0.0558(9) Uani 1 1 d . . .
H6 H 0.8933 -0.0897 0.2984 0.067 Uiso 1 1 calc R . .
C7 C 1.0052(4) -0.0541(3) 0.2041(2) 0.0557(9) Uani 1 1 d . . .
H7 H 0.9947 0.0174 0.2088 0.067 Uiso 1 1 calc R . .
C8 C 1.1432(3) -0.0247(3) 0.08586(18) 0.0392(6) Uani 1 1 d . . .
C9 C 1.2222(3) -0.0622(3) 0.02611(19) 0.0410(6) Uani 1 1 d . . .
H9 H 1.2385 -0.1320 0.0219 0.049 Uiso 1 1 calc R . .
C10 C 1.2770(3) 0.0037(3) -0.0272(2) 0.0479(6) Uani 1 1 d U . .
C11 C 1.1189(3) 0.0758(2) 0.09426(17) 0.0341(6) Uani 1 1 d . . .
H11 H 1.0651 0.0995 0.1350 0.041 Uiso 1 1 calc R . .
C12 C 1.1729(3) 0.1422(3) 0.0434(2) 0.0441(7) Uani 1 1 d . . .
C13 C 1.1428(4) 0.2523(3) 0.0551(2) 0.0550(8) Uani 1 1 d . . .
C14 C 1.0341(4) 0.2755(4) 0.0970(3) 0.0670(11) Uani 1 1 d . . .
H14 H 0.9784 0.2210 0.1185 0.080 Uiso 1 1 calc R . .
C15 C 1.0073(6) 0.3770(5) 0.1074(3) 0.0904(17) Uani 1 1 d . . .
H15 H 0.9348 0.3933 0.1362 0.108 Uiso 1 1 calc R . .
C16 C 1.0907(8) 0.4543(5) 0.0739(3) 0.104(2) Uani 1 1 d . . .
H16 H 1.0744 0.5243 0.0792 0.124 Uiso 1 1 calc R . .
C17 C 1.1982(8) 0.4292(4) 0.0325(4) 0.1025(19) Uani 1 1 d . . .
H17 H 1.2541 0.4830 0.0104 0.123 Uiso 1 1 calc R . .
C18 C 1.3622(3) -0.0356(3) -0.0931(2) 0.0542(9) Uani 1 1 d . . .
C19 C 1.3883(4) -0.1345(3) -0.0977(2) 0.0570(9) Uani 1 1 d . . .
H19 H 1.3506 -0.1795 -0.0619 0.068 Uiso 1 1 calc R . .
C20 C 1.4692(5) -0.1693(5) -0.1543(3) 0.0845(15) Uani 1 1 d . . .
H20 H 1.4867 -0.2386 -0.1569 0.101 Uiso 1 1 calc R . .
C21 C 1.5267(5) -0.1061(5) -0.2083(3) 0.0870(17) Uani 1 1 d . . .
H21 H 1.5831 -0.1312 -0.2467 0.104 Uiso 1 1 calc R . .
C22 C 1.4992(6) -0.0063(6) -0.2042(3) 0.0934(17) Uani 1 1 d . . .
H22 H 1.5371 0.0380 -0.2403 0.112 Uiso 1 1 calc R . .
C23 C 0.6831(3) -1.1257(2) 0.5604(2) 0.0404(7) Uani 1 1 d . . .
C24 C 0.6898(3) -1.0109(2) 0.54533(19) 0.0364(6) Uani 1 1 d . . .
C25 C 0.6566(3) -0.9925(2) 0.4636(2) 0.0404(6) Uani 1 1 d . . .
H25 H 0.6324 -1.0514 0.4166 0.049 Uiso 1 1 calc R . .
C26 C 0.6589(3) -0.8879(2) 0.45123(19) 0.0394(6) Uani 1 1 d . . .
H26 H 0.6312 -0.8776 0.3964 0.047 Uiso 1 1 calc R . .
C27 C 0.7022(3) -0.7972(2) 0.51945(19) 0.0361(6) Uani 1 1 d . . .
C28 C 0.7368(3) -0.8154(2) 0.6013(2) 0.0413(6) Uani 1 1 d . . .
H28 H 0.7656 -0.7562 0.6478 0.050 Uiso 1 1 calc R . .
C29 C 0.7288(3) -0.9209(2) 0.6141(2) 0.0403(6) Uani 1 1 d . . .
H29 H 0.7497 -0.9319 0.6695 0.048 Uiso 1 1 calc R . .
C30 C 0.7113(3) -0.6841(2) 0.50526(18) 0.0366(6) Uani 1 1 d . . .
C31 C 0.8169(3) -0.5957(2) 0.55224(19) 0.0377(6) Uani 1 1 d . . .
H31 H 0.8831 -0.6070 0.5933 0.045 Uiso 1 1 calc R . .
C32 C 0.8225(3) -0.4910(2) 0.53748(18) 0.0340(6) Uani 1 1 d . . .
C33 C 0.6278(3) -0.5563(2) 0.43270(17) 0.0347(6) Uani 1 1 d . . .
C34 C 0.6159(3) -0.6631(2) 0.44472(19) 0.0371(6) Uani 1 1 d . . .
H34 H 0.5443 -0.7200 0.4123 0.044 Uiso 1 1 calc R . .
C35 C 0.5301(3) -0.5238(2) 0.37036(18) 0.0368(6) Uani 1 1 d . . .
C36 C 0.4103(3) -0.5962(3) 0.3225(2) 0.0481(7) Uani 1 1 d . . .
H36 H 0.3862 -0.6691 0.3279 0.058 Uiso 1 1 calc R . .
C37 C 0.3286(4) -0.5562(3) 0.2668(2) 0.0607(9) Uani 1 1 d . . .
H37 H 0.2474 -0.6021 0.2340 0.073 Uiso 1 1 calc R . .
C38 C 0.3672(5) -0.4484(3) 0.2598(3) 0.0687(11) Uani 1 1 d . . .
H38 H 0.3145 -0.4215 0.2207 0.082 Uiso 1 1 calc R . .
C39 C 0.4844(4) -0.3810(3) 0.3113(2) 0.0604(9) Uani 1 1 d . . .
H39 H 0.5083 -0.3073 0.3082 0.072 Uiso 1 1 calc R . .
C40 C 0.9270(3) -0.3898(2) 0.58606(19) 0.0366(6) Uani 1 1 d . . .
C41 C 1.0258(4) -0.3898(3) 0.6522(2) 0.0504(8) Uani 1 1 d . . .
H41 H 1.0333 -0.4552 0.6682 0.060 Uiso 1 1 calc R . .
C42 C 1.1153(4) -0.2909(3) 0.6955(3) 0.0590(9) Uani 1 1 d . . .
H42 H 1.1839 -0.2892 0.7405 0.071 Uiso 1 1 calc R . .
C43 C 1.1009(4) -0.1956(3) 0.6707(3) 0.0567(9) Uani 1 1 d . . .
H43 H 1.1583 -0.1283 0.6993 0.068 Uiso 1 1 calc R . .
C44 C 1.0004(4) -0.2016(3) 0.6029(3) 0.0536(8) Uani 1 1 d . . .
H44 H 0.9917 -0.1370 0.5858 0.064 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'
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'
Zn Zn 0.2839 1.4301 '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'
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
O3 Zn1 O1 95.74(12) 1_565 .
O3 Zn1 N5 132.05(10) 1_565 .
O1 Zn1 N5 131.94(11) . .
O3 Zn1 N6 103.28(10) 1_565 .
O1 Zn1 N6 101.30(12) . .
N5 Zn1 N6 75.68(9) . .
O3 Zn1 N4 93.82(10) 1_565 .
O1 Zn1 N4 100.80(12) . .
N5 Zn1 N4 74.94(9) . .
N6 Zn1 N4 150.41(9) . .
C1 O1 Zn1 122.4(2) . .
C23 O3 Zn1 131.1(2) . 1_545
C18 N1 C22 117.6(5) . .
C10 N2 C12 118.5(3) . .
C13 N3 C17 117.4(5) . .
C39 N4 C35 118.9(3) . .
C39 N4 Zn1 124.9(2) . .
C35 N4 Zn1 116.1(2) . .
C33 N5 C32 119.8(2) . .
C33 N5 Zn1 120.37(19) . .
C32 N5 Zn1 119.78(17) . .
C44 N6 C40 118.3(3) . .
C44 N6 Zn1 126.3(2) . .
C40 N6 Zn1 115.41(19) . .
O2 C1 O1 124.4(3) . .
O2 C1 C2 120.8(3) . .
O1 C1 C2 114.8(3) . .
C3 C2 C6 118.5(3) . .
C3 C2 C1 120.3(3) . .
C6 C2 C1 121.1(3) . .
C2 C3 C4 121.0(3) . .
C2 C3 H3 119.5 . .
C4 C3 H3 119.5 . .
C3 C4 C5 120.7(3) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C7 C5 C4 118.5(3) . .
C7 C5 C8 119.2(3) . .
C4 C5 C8 122.3(3) . .
C2 C6 C7 120.9(3) . .
C2 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C5 C7 C6 120.5(3) . .
C5 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C11 C8 C9 121.6(3) . .
C11 C8 C5 117.5(3) . .
C9 C8 C5 120.9(3) . .
C10 C9 C8 119.9(3) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C9 C10 N2 118.9(3) . .
C9 C10 C18 120.8(3) . .
N2 C10 C18 120.3(3) . .
C8 C11 C12 119.5(3) . .
C8 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C11 C12 N2 121.6(3) . .
C11 C12 C13 117.4(3) . .
N2 C12 C13 121.0(3) . .
N3 C13 C14 121.9(4) . .
N3 C13 C12 116.8(4) . .
C14 C13 C12 121.3(4) . .
C15 C14 C13 120.8(5) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C16 117.7(6) . .
C14 C15 H15 121.2 . .
C16 C15 H15 121.2 . .
C15 C16 C17 120.4(5) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
N3 C17 C16 121.8(5) . .
N3 C17 H17 119.1 . .
C16 C17 H17 119.1 . .
C19 C18 N1 121.5(4) . .
C19 C18 C10 119.1(3) . .
N1 C18 C10 119.4(4) . .
C18 C19 C20 119.8(4) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C19 C20 C21 122.1(5) . .
C19 C20 H20 118.9 . .
C21 C20 H20 118.9 . .
C22 C21 C20 118.1(5) . .
C22 C21 H21 121.0 . .
C20 C21 H21 121.0 . .
C21 C22 N1 121.0(5) . .
C21 C22 H22 119.5 . .
N1 C22 H22 119.5 . .
O4 C23 O3 124.7(3) . .
O4 C23 C24 120.8(3) . .
O3 C23 C24 114.4(3) . .
C25 C24 C29 118.4(3) . .
C25 C24 C23 121.3(3) . .
C29 C24 C23 120.3(3) . .
C26 C25 C24 120.7(3) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C25 C26 C27 121.1(3) . .
C25 C26 H26 119.4 . .
C27 C26 H26 119.4 . .
C28 C27 C26 118.2(3) . .
C28 C27 C30 120.8(2) . .
C26 C27 C30 121.0(3) . .
C29 C28 C27 120.6(3) . .
C29 C28 H28 119.7 . .
C27 C28 H28 119.7 . .
C28 C29 C24 121.0(3) . .
C28 C29 H29 119.5 . .
C24 C29 H29 119.5 . .
C34 C30 C31 117.9(2) . .
C34 C30 C27 120.9(2) . .
C31 C30 C27 121.2(3) . .
C32 C31 C30 119.8(3) . .
C32 C31 H31 120.1 . .
C30 C31 H31 120.1 . .
N5 C32 C31 121.2(2) . .
N5 C32 C40 114.3(2) . .
C31 C32 C40 124.5(3) . .
N5 C33 C34 121.8(3) . .
N5 C33 C35 114.0(2) . .
C34 C33 C35 124.2(2) . .
C30 C34 C33 119.5(2) . .
C30 C34 H34 120.2 . .
C33 C34 H34 120.2 . .
N4 C35 C36 122.4(3) . .
N4 C35 C33 114.5(2) . .
C36 C35 C33 123.1(3) . .
C37 C36 C35 117.6(3) . .
C37 C36 H36 121.2 . .
C35 C36 H36 121.2 . .
C38 C37 C36 120.0(3) . .
C38 C37 H37 120.0 . .
C36 C37 H37 120.0 . .
C39 C38 C37 119.0(3) . .
C39 C38 H38 120.5 . .
C37 C38 H38 120.5 . .
N4 C39 C38 122.1(3) . .
N4 C39 H39 119.0 . .
C38 C39 H39 119.0 . .
N6 C40 C41 122.0(3) . .
N6 C40 C32 114.6(3) . .
C41 C40 C32 123.4(3) . .
C40 C41 C42 119.2(3) . .
C40 C41 H41 120.4 . .
C42 C41 H41 120.4 . .
C43 C42 C41 119.0(3) . .
C43 C42 H42 120.5 . .
C41 C42 H42 120.5 . .
C44 C43 C42 118.8(3) . .
C44 C43 H43 120.6 . .
C42 C43 H43 120.6 . .
N6 C44 C43 122.7(3) . .
N6 C44 H44 118.7 . .
C43 C44 H44 118.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 1.933(2) 1_565
Zn1 O1 1.946(2) .
Zn1 N5 2.074(2) .
Zn1 N6 2.181(3) .
Zn1 N4 2.181(3) .
O1 C1 1.262(5) .
O2 C1 1.221(4) .
O3 C23 1.283(4) .
O3 Zn1 1.933(2) 1_545
O4 C23 1.210(4) .
N1 C18 1.372(6) .
N1 C22 1.403(7) .
N2 C10 1.393(5) .
N2 C12 1.393(4) .
N3 C13 1.338(5) .
N3 C17 1.363(6) .
N4 C39 1.330(4) .
N4 C35 1.341(4) .
N5 C33 1.335(3) .
N5 C32 1.340(4) .
N6 C44 1.338(4) .
N6 C40 1.354(4) .
C1 C2 1.504(4) .
C2 C3 1.368(5) .
C2 C6 1.385(5) .
C3 C4 1.386(5) .
C3 H3 0.9300 .
C4 C5 1.386(4) .
C4 H4 0.9300 .
C5 C7 1.377(5) .
C5 C8 1.493(4) .
C6 C7 1.389(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C11 1.339(4) .
C8 C9 1.377(4) .
C9 C10 1.373(4) .
C9 H9 0.9300 .
C10 C18 1.495(5) .
C11 C12 1.343(4) .
C11 H11 0.9300 .
C12 C13 1.480(5) .
C13 C14 1.379(6) .
C14 C15 1.359(6) .
C14 H14 0.9300 .
C15 C16 1.369(9) .
C15 H15 0.9300 .
C16 C17 1.372(9) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.330(5) .
C19 C20 1.344(6) .
C19 H19 0.9300 .
C20 C21 1.368(8) .
C20 H20 0.9300 .
C21 C22 1.348(8) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.516(4) .
C24 C25 1.386(4) .
C24 C29 1.392(4) .
C25 C26 1.379(4) .
C25 H25 0.9300 .
C26 C27 1.394(4) .
C26 H26 0.9300 .
C27 C28 1.389(4) .
C27 C30 1.485(4) .
C28 C29 1.384(4) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C34 1.382(4) .
C30 C31 1.399(4) .
C31 C32 1.388(4) .
C31 H31 0.9300 .
C32 C40 1.496(4) .
C33 C34 1.391(4) .
C33 C35 1.490(4) .
C34 H34 0.9300 .
C35 C36 1.390(4) .
C36 C37 1.377(5) .
C36 H36 0.9300 .
C37 C38 1.375(6) .
C37 H37 0.9300 .
C38 C39 1.372(6) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 C41 1.364(5) .
C41 C42 1.391(5) .
C41 H41 0.9300 .
C42 C43 1.375(6) .
C42 H42 0.9300 .
C43 C44 1.372(6) .
C43 H43 0.9300 .
C44 H44 0.9300 .
