#------------------------------------------------------------------------------
#$Date: 2019-11-07 16:48:00 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/49/7234984.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_7234984
loop_
_publ_author_name
'Wang, Ji-Jiang'
'Cao, Zhuang'
'Wang, Xiao'
'Tang, Long'
'Hou, Xiang-Yang'
'Ju, Ping'
'Ren, Yi-Xia'
'Chen, Xiao-Li'
'Zhang, Yu-Qi'
_publ_section_title
;
 A novel 3D Cd(ii) coordination polymer generated via in situ ligand
 synthesis involving C--O ester bond formation
;
_journal_issue                   1
_journal_name_full               'RSC Advances'
_journal_page_first              307
_journal_paper_doi               10.1039/C8RA06112B
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C40 H24 Cd2 N6 O14'
_chemical_formula_weight         1037.45
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        '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
_audit_update_record
;
2018-04-29 deposited with the CCDC.
2018-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                110.148(4)
_cell_angle_beta                 112.543(4)
_cell_angle_gamma                92.070(4)
_cell_formula_units_Z            2
_cell_length_a                   12.140(4)
_cell_length_b                   12.715(4)
_cell_length_c                   13.939(4)
_cell_measurement_temperature    296(2)
_cell_volume                     1830.2(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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    0.0294
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            9667
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    1.247
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1028
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     575
_refine_ls_number_reflns         6750
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0273
_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)+(0.0499P)²+0.1536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0867
_reflns_number_gt                5556
_reflns_number_total             6750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ra06112b2.cif
_cod_data_source_block           t_CCDC2
_cod_original_cell_volume        1830.1(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7234984
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
Cd1 Cd 0.61688(2) 0.76403(2) 0.84269(2) 0.03135(9) Uani 1 1 d .
Cd2 Cd 0.76824(2) 0.92696(2) 0.63075(2) 0.03049(9) Uani 1 1 d .
O1 O 0.7546(2) 0.8491(2) 0.8009(2) 0.0341(6) Uani 1 1 d .
O2 O 0.8529(2) 0.7881(2) 0.6925(2) 0.0389(6) Uani 1 1 d .
O3 O 1.0852(2) 0.9605(2) 1.1995(2) 0.0403(6) Uani 1 1 d .
O4 O 1.2347(3) 0.8656(3) 1.2275(2) 0.0572(8) Uani 1 1 d .
O5 O 1.1266(3) 0.4677(3) 0.9365(3) 0.0755(11) Uani 1 1 d .
O6 O 0.9585(3) 0.4106(2) 0.7922(3) 0.0782(12) Uani 1 1 d .
O7 O 0.7035(2) 0.6153(2) 0.8543(2) 0.0378(6) Uani 1 1 d .
O8 O 0.6324(4) 0.4300(3) 0.7779(3) 0.0713(11) Uani 1 1 d .
O9 O 0.4792(2) 0.2943(2) 0.3521(2) 0.0461(7) Uani 1 1 d .
O10 O 0.5944(3) 0.3541(2) 0.2855(2) 0.0490(7) Uani 1 1 d .
O11 O 1.0740(3) 0.5938(3) 0.7104(3) 0.0640(9) Uani 1 1 d .
O12 O 0.9852(3) 0.6184(2) 0.5542(3) 0.0515(7) Uani 1 1 d .
O13 O 0.5701(3) 0.8807(3) 0.5842(2) 0.0436(7) Uani 1 1 d D
O14 O 0.4141(3) 0.7935(3) 0.3694(3) 0.0661(10) Uani 1 1 d D
N1 N 1.0332(3) 0.4857(3) 0.8752(3) 0.0405(8) Uani 1 1 d .
N2 N 0.9839(3) 0.5865(3) 0.6282(3) 0.0376(8) Uani 1 1 d .
N3 N 0.5451(3) 0.7480(3) 0.9711(2) 0.0356(7) Uani 1 1 d .
N4 N 0.6658(3) 0.9438(2) 0.9892(2) 0.0333(7) Uani 1 1 d .
N5 N 0.7454(3) 0.7989(2) 0.4539(2) 0.0358(7) Uani 1 1 d .
N6 N 0.8211(3) 1.0302(2) 0.5357(2) 0.0344(7) Uani 1 1 d .
C1 C 0.8332(3) 0.7973(3) 0.7768(3) 0.0262(7) Uani 1 1 d .
C2 C 0.9141(3) 0.7499(3) 0.8585(3) 0.0245(7) Uani 1 1 d .
C3 C 0.9782(3) 0.8241(3) 0.9695(3) 0.0287(7) Uani 1 1 d .
H3 H 0.9644 0.8984 0.9919 0.034 Uiso 1 1 calc R
C4 C 1.0628(3) 0.7909(3) 1.0488(3) 0.0274(7) Uani 1 1 d .
C5 C 1.0820(3) 0.6794(3) 1.0142(3) 0.0302(8) Uani 1 1 d .
H5 H 1.1418 0.6563 1.0640 0.036 Uiso 1 1 calc R
C6 C 1.0114(3) 0.6036(3) 0.9054(3) 0.0274(7) Uani 1 1 d .
C7 C 0.9258(3) 0.6346(3) 0.8246(3) 0.0247(7) Uani 1 1 d .
C8 C 1.1336(3) 0.8769(3) 1.1670(3) 0.0342(8) Uani 1 1 d .
C9 C 0.8394(3) 0.5541(3) 0.7072(3) 0.0246(7) Uani 1 1 d .
C10 C 0.7242(3) 0.5030(3) 0.6867(3) 0.0260(7) Uani 1 1 d .
C11 C 0.6410(3) 0.4366(3) 0.5772(3) 0.0298(8) Uani 1 1 d .
H11 H 0.5654 0.4020 0.5650 0.036 Uiso 1 1 calc R
C12 C 0.6683(3) 0.4204(3) 0.4854(3) 0.0271(7) Uani 1 1 d .
C13 C 0.7822(3) 0.4701(3) 0.5041(3) 0.0278(7) Uani 1 1 d .
H13 H 0.8026 0.4602 0.4441 0.033 Uiso 1 1 calc R
C14 C 0.8648(3) 0.5345(3) 0.6136(3) 0.0261(7) Uani 1 1 d .
C15 C 0.6831(3) 0.5169(3) 0.7807(3) 0.0327(8) Uani 1 1 d .
C16 C 0.5751(3) 0.3523(3) 0.3664(3) 0.0314(8) Uani 1 1 d .
C17 C 0.4870(4) 0.6517(3) 0.9611(3) 0.0486(11) Uani 1 1 d .
H17 H 0.4793 0.5843 0.9024 0.058 Uiso 1 1 calc R
C18 C 0.4373(4) 0.6473(4) 1.0346(4) 0.0557(12) Uani 1 1 d .
H18 H 0.3972 0.5783 1.0253 0.067 Uiso 1 1 calc R
C19 C 0.4482(4) 0.7467(4) 1.1214(4) 0.0519(11) Uani 1 1 d .
H19 H 0.4142 0.7456 1.1706 0.062 Uiso 1 1 calc R
C20 C 0.5105(3) 0.8494(3) 1.1356(3) 0.0381(9) Uani 1 1 d .
C21 C 0.5316(4) 0.9565(4) 1.2274(3) 0.0445(10) Uani 1 1 d .
H21 H 0.5006 0.9594 1.2796 0.053 Uiso 1 1 calc R
C22 C 0.5950(3) 1.0520(3) 1.2389(3) 0.0403(9) Uani 1 1 d .
H22 H 0.6083 1.1194 1.2998 0.048 Uiso 1 1 calc R
C23 C 0.6435(3) 1.0531(3) 1.1591(3) 0.0333(8) Uani 1 1 d .
C24 C 0.7134(3) 1.1502(3) 1.1698(3) 0.0405(9) Uani 1 1 d .
H24 H 0.7303 1.2191 1.2301 0.049 Uiso 1 1 calc R
C25 C 0.7565(4) 1.1426(3) 1.0904(3) 0.0458(10) Uani 1 1 d .
H25 H 0.8023 1.2063 1.0959 0.055 Uiso 1 1 calc R
C26 C 0.7306(4) 1.0381(3) 1.0018(3) 0.0426(9) Uani 1 1 d .
H26 H 0.7602 1.0339 0.9484 0.051 Uiso 1 1 calc R
C27 C 0.6233(3) 0.9497(3) 1.0676(3) 0.0293(7) Uani 1 1 d .
C28 C 0.5573(3) 0.8470(3) 1.0571(3) 0.0304(8) Uani 1 1 d .
C29 C 0.7064(4) 0.6874(3) 0.4137(3) 0.0496(11) Uani 1 1 d .
H29 H 0.6791 0.6578 0.4548 0.059 Uiso 1 1 calc R
C30 C 0.7041(5) 0.6117(4) 0.3119(4) 0.0590(13) Uani 1 1 d .
H30 H 0.6753 0.5338 0.2862 0.071 Uiso 1 1 calc R
C31 C 0.7444(4) 0.6535(4) 0.2513(3) 0.0539(12) Uani 1 1 d .
H31 H 0.7444 0.6043 0.1841 0.065 Uiso 1 1 calc R
C32 C 0.7861(4) 0.7711(3) 0.2905(3) 0.0412(9) Uani 1 1 d .
C33 C 0.8318(4) 0.8211(4) 0.2315(3) 0.0514(11) Uani 1 1 d .
H33 H 0.8328 0.7749 0.1637 0.062 Uiso 1 1 calc R
C34 C 0.8730(4) 0.9347(4) 0.2742(4) 0.0491(11) Uani 1 1 d .
H34 H 0.9036 0.9652 0.2355 0.059 Uiso 1 1 calc R
C35 C 0.8713(3) 1.0106(3) 0.3778(3) 0.0384(9) Uani 1 1 d .
C36 C 0.9121(4) 1.1284(4) 0.4242(4) 0.0486(11) Uani 1 1 d .
H36 H 0.9445 1.1621 0.3888 0.058 Uiso 1 1 calc R
C37 C 0.9048(4) 1.1945(4) 0.5215(4) 0.0518(11) Uani 1 1 d .
H37 H 0.9295 1.2734 0.5511 0.062 Uiso 1 1 calc R
C38 C 0.8598(4) 1.1424(3) 0.5760(3) 0.0448(10) Uani 1 1 d .
H38 H 0.8569 1.1879 0.6430 0.054 Uiso 1 1 calc R
C39 C 0.8259(3) 0.9638(3) 0.4372(3) 0.0324(8) Uani 1 1 d .
C40 C 0.7845(3) 0.8418(3) 0.3932(3) 0.0329(8) Uani 1 1 d .
H14B H 0.396(6) 0.7220(18) 0.324(4) 0.12(3) Uiso 1 1 d D
H14A H 0.354(4) 0.815(5) 0.327(4) 0.09(2) Uiso 1 1 d D
H13A H 0.561(5) 0.830(3) 0.611(4) 0.077(18) Uiso 1 1 d D
H13B H 0.520(4) 0.858(5) 0.5134(15) 0.089(19) Uiso 1 1 d 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'
Cd Cd -0.8075 1.2024 '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
O7 Cd1 O1 96.89(9) . .
O7 Cd1 O9 99.76(10) . 2_666
O1 Cd1 O9 76.45(9) . 2_666
O7 Cd1 N3 87.59(10) . .
O1 Cd1 N3 151.08(10) . .
O9 Cd1 N3 131.08(10) 2_666 .
O7 Cd1 N4 126.12(10) . .
O1 Cd1 N4 83.29(10) . .
O9 Cd1 N4 131.73(10) 2_666 .
N3 Cd1 N4 71.27(10) . .
O7 Cd1 O10 94.74(10) . 2_666
O1 Cd1 O10 129.81(9) . 2_666
O9 Cd1 O10 53.47(9) 2_666 2_666
N3 Cd1 O10 77.84(10) . 2_666
N4 Cd1 O10 125.97(10) . 2_666
O13 Cd2 O3 127.65(10) . 2_777
O13 Cd2 O2 104.44(11) . .
O3 Cd2 O2 80.15(9) 2_777 .
O13 Cd2 N5 91.41(11) . .
O3 Cd2 N5 140.39(11) 2_777 .
O2 Cd2 N5 84.14(10) . .
O13 Cd2 N6 116.37(11) . .
O3 Cd2 N6 93.50(10) 2_777 .
O2 Cd2 N6 131.72(10) . .
N5 Cd2 N6 70.76(10) . .
C1 O1 Cd1 120.9(2) . .
C1 O2 Cd2 106.7(2) . .
C8 O3 Cd2 103.1(2) . 2_777
C15 O7 Cd1 130.2(2) . .
C16 O9 Cd1 96.7(2) . 2_666
C16 O10 Cd1 87.8(2) . 2_666
Cd2 O13 H13A 108(4) . .
Cd2 O13 H13B 118(4) . .
H13A O13 H13B 110(5) . .
H14B O14 H14A 96(5) . .
O6 N1 O5 122.2(3) . .
O6 N1 C6 119.5(3) . .
O5 N1 C6 118.3(3) . .
O11 N2 O12 124.2(3) . .
O11 N2 C14 118.6(3) . .
O12 N2 C14 117.3(3) . .
C17 N3 C28 119.0(3) . .
C17 N3 Cd1 124.5(2) . .
C28 N3 Cd1 116.3(2) . .
C26 N4 C27 118.3(3) . .
C26 N4 Cd1 126.1(2) . .
C27 N4 Cd1 115.7(2) . .
C29 N5 C40 118.3(3) . .
C29 N5 Cd2 124.5(3) . .
C40 N5 Cd2 117.0(2) . .
C38 N6 C39 118.3(3) . .
C38 N6 Cd2 126.3(3) . .
C39 N6 Cd2 114.8(2) . .
O2 C1 O1 124.1(3) . .
O2 C1 C2 117.8(3) . .
O1 C1 C2 117.9(3) . .
C3 C2 C7 120.1(3) . .
C3 C2 C1 117.7(3) . .
C7 C2 C1 122.2(3) . .
C2 C3 C4 121.8(3) . .
C2 C3 H3 119.1 . .
C4 C3 H3 119.1 . .
C5 C4 C3 118.4(3) . .
C5 C4 C8 122.2(3) . .
C3 C4 C8 119.3(3) . .
C6 C5 C4 119.4(3) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
C5 C6 C7 123.1(3) . .
C5 C6 N1 116.7(3) . .
C7 C6 N1 120.1(3) . .
C6 C7 C2 116.8(3) . .
C6 C7 C9 125.6(3) . .
C2 C7 C9 117.5(3) . .
O4 C8 O3 122.9(3) . .
O4 C8 C4 120.8(3) . .
O3 C8 C4 116.3(3) . .
C14 C9 C10 116.9(3) . .
C14 C9 C7 122.7(3) . .
C10 C9 C7 120.1(3) . .
C11 C10 C9 120.1(3) . .
C11 C10 C15 117.0(3) . .
C9 C10 C15 122.9(3) . .
C10 C11 C12 121.6(3) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C13 C12 C11 119.1(3) . .
C13 C12 C16 119.9(3) . .
C11 C12 C16 121.1(3) . .
C14 C13 C12 118.8(3) . .
C14 C13 H13 120.6 . .
C12 C13 H13 120.6 . .
C13 C14 C9 123.5(3) . .
C13 C14 N2 116.4(3) . .
C9 C14 N2 120.1(3) . .
O8 C15 O7 124.9(3) . .
O8 C15 C10 116.9(3) . .
O7 C15 C10 118.2(3) . .
O10 C16 O9 121.8(3) . .
O10 C16 C12 119.7(3) . .
O9 C16 C12 118.6(3) . .
N3 C17 C18 122.8(4) . .
N3 C17 H17 118.6 . .
C18 C17 H17 118.6 . .
C19 C18 C17 118.8(4) . .
C19 C18 H18 120.6 . .
C17 C18 H18 120.6 . .
C18 C19 C20 119.9(4) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C28 117.8(3) . .
C19 C20 C21 123.7(4) . .
C28 C20 C21 118.5(4) . .
C22 C21 C20 121.3(4) . .
C22 C21 H21 119.3 . .
C20 C21 H21 119.3 . .
C21 C22 C23 121.8(3) . .
C21 C22 H22 119.1 . .
C23 C22 H22 119.1 . .
C24 C23 C27 118.0(3) . .
C24 C23 C22 123.6(3) . .
C27 C23 C22 118.4(3) . .
C25 C24 C23 119.4(3) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C24 C25 C26 118.9(4) . .
C24 C25 H25 120.5 . .
C26 C25 H25 120.5 . .
N4 C26 C25 123.5(4) . .
N4 C26 H26 118.2 . .
C25 C26 H26 118.2 . .
N4 C27 C23 121.9(3) . .
N4 C27 C28 118.6(3) . .
C23 C27 C28 119.5(3) . .
N3 C28 C20 121.6(3) . .
N3 C28 C27 117.9(3) . .
C20 C28 C27 120.5(3) . .
N5 C29 C30 123.1(4) . .
N5 C29 H29 118.5 . .
C30 C29 H29 118.5 . .
C31 C30 C29 119.2(4) . .
C31 C30 H30 120.4 . .
C29 C30 H30 120.4 . .
C30 C31 C32 119.6(4) . .
C30 C31 H31 120.2 . .
C32 C31 H31 120.2 . .
C31 C32 C40 117.9(4) . .
C31 C32 C33 122.6(4) . .
C40 C32 C33 119.5(4) . .
C34 C33 C32 120.2(4) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C33 C34 C35 122.2(4) . .
C33 C34 H34 118.9 . .
C35 C34 H34 118.9 . .
C36 C35 C39 117.2(4) . .
C36 C35 C34 124.0(4) . .
C39 C35 C34 118.8(4) . .
C37 C36 C35 120.3(4) . .
C37 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C36 C37 C38 119.3(4) . .
C36 C37 H37 120.3 . .
C38 C37 H37 120.3 . .
N6 C38 C37 122.6(4) . .
N6 C38 H38 118.7 . .
C37 C38 H38 118.7 . .
N6 C39 C35 122.2(3) . .
N6 C39 C40 118.6(3) . .
C35 C39 C40 119.2(3) . .
N5 C40 C32 122.0(3) . .
N5 C40 C39 117.9(3) . .
C32 C40 C39 120.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O7 2.220(3) .
Cd1 O1 2.314(3) .
Cd1 O9 2.324(3) 2_666
Cd1 N3 2.332(3) .
Cd1 N4 2.346(3) .
Cd1 O10 2.527(3) 2_666
Cd2 O13 2.234(3) .
Cd2 O3 2.251(2) 2_777
Cd2 O2 2.326(2) .
Cd2 N5 2.342(3) .
Cd2 N6 2.383(3) .
O1 C1 1.263(4) .
O2 C1 1.256(4) .
O3 C8 1.264(4) .
O3 Cd2 2.251(2) 2_777
O4 C8 1.241(5) .
O5 N1 1.215(4) .
O6 N1 1.202(4) .
O7 C15 1.256(4) .
O8 C15 1.227(4) .
O9 C16 1.264(4) .
O9 Cd1 2.324(3) 2_666
O10 C16 1.243(4) .
O10 Cd1 2.527(3) 2_666
O11 N2 1.215(4) .
O12 N2 1.236(4) .
O13 H13A 0.871(10) .
O13 H13B 0.869(10) .
O14 H14B 0.872(10) .
O14 H14A 0.869(10) .
N1 C6 1.474(4) .
N2 C14 1.477(4) .
N3 C17 1.326(5) .
N3 C28 1.362(4) .
N4 C26 1.330(5) .
N4 C27 1.357(4) .
N5 C29 1.323(5) .
N5 C40 1.358(5) .
N6 C38 1.329(5) .
N6 C39 1.368(5) .
C1 C2 1.511(4) .
C2 C3 1.381(4) .
C2 C7 1.407(4) .
C3 C4 1.392(5) .
C3 H3 0.9300 .
C4 C5 1.391(5) .
C4 C8 1.502(5) .
C5 C6 1.379(5) .
C5 H5 0.9300 .
C6 C7 1.394(5) .
C7 C9 1.510(4) .
C9 C14 1.395(5) .
C9 C10 1.401(5) .
C10 C11 1.390(5) .
C10 C15 1.530(5) .
C11 C12 1.393(5) .
C11 H11 0.9300 .
C12 C13 1.388(5) .
C12 C16 1.510(4) .
C13 C14 1.383(4) .
C13 H13 0.9300 .
C17 C18 1.390(6) .
C17 H17 0.9300 .
C18 C19 1.375(6) .
C18 H18 0.9300 .
C19 C20 1.397(6) .
C19 H19 0.9300 .
C20 C28 1.407(5) .
C20 C21 1.442(5) .
C21 C22 1.340(6) .
C21 H21 0.9300 .
C22 C23 1.447(5) .
C22 H22 0.9300 .
C23 C24 1.403(5) .
C23 C27 1.414(5) .
C24 C25 1.372(6) .
C24 H24 0.9300 .
C25 C26 1.390(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.439(5) .
C29 C30 1.403(6) .
C29 H29 0.9300 .
C30 C31 1.358(7) .
C30 H30 0.9300 .
C31 C32 1.400(6) .
C31 H31 0.9300 .
C32 C40 1.412(5) .
C32 C33 1.440(6) .
C33 C34 1.349(6) .
C33 H33 0.9300 .
C34 C35 1.442(6) .
C34 H34 0.9300 .
C35 C36 1.393(6) .
C35 C39 1.417(5) .
C36 C37 1.366(6) .
C36 H36 0.9300 .
C37 C38 1.397(6) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C40 1.444(5) .
