#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:46:17 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180482 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/51/7215113.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_7215113
loop_
_publ_author_name
'Yi, Fei-Yan'
'Yang, Weiting'
'Sun, Zhong-Ming'
_publ_section_title
;
 Highly selective acetone fluorescent sensors based on microporous Cd(ii)
 metal--organic frameworks
;
_journal_issue                   43
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              23201
_journal_paper_doi               10.1039/c2jm35273g
_journal_volume                  22
_journal_year                    2012
_chemical_formula_sum            'C64 H50 Cd3 N4 O19'
_chemical_formula_weight         1516.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.107(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.766(6)
_cell_length_b                   20.293(5)
_cell_length_c                   16.483(4)
_cell_measurement_temperature    273(2)
_cell_volume                     9288(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0708
_diffrn_reflns_av_sigmaI/netI    0.0883
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24231
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.732
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6599
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.084
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_F_000             3032
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.735
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         8570
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1379
_refine_ls_R_factor_gt           0.0764
_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)+(0.1461P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2144
_refine_ls_wR_factor_ref         0.2603
_reflns_number_gt                4496
_reflns_number_total             8570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2jm35273g.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7215113
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.7500 0.2500 0.5000 0.0508(3) Uani 1 2 d S
Cd2 Cd 0.77216(3) 0.41563(3) 0.54923(4) 0.0640(3) Uani 1 1 d .
N1 N 0.7665(3) 0.5188(3) 0.5865(5) 0.069(2) Uani 1 1 d .
N2 N 0.7584(3) 0.6253(3) 0.5736(5) 0.0641(19) Uani 1 1 d .
O1 O 0.5000 0.3243(4) 0.7500 0.079(3) Uani 1 2 d S
O2 O 0.6223(2) 0.3297(3) 0.8745(4) 0.0733(18) Uani 1 1 d .
O3 O 0.5952(2) 0.3086(3) 1.0485(4) 0.0726(16) Uani 1 1 d .
O4 O 0.4815(2) 0.2926(4) 0.9384(5) 0.089(2) Uani 1 1 d .
O5 O 0.7482(2) 0.3788(3) 0.6496(4) 0.0787(19) Uani 1 1 d .
O6 O 0.7281(2) 0.2739(3) 0.6119(4) 0.0671(16) Uani 1 1 d .
O7 O 0.7233(3) 0.4494(4) 1.3965(4) 0.089(2) Uani 1 1 d .
O8 O 0.7194(2) 0.3497(3) 1.4436(4) 0.0775(19) Uani 1 1 d .
O9 O 0.3189(2) 0.1880(3) 1.0613(4) 0.0682(16) Uani 1 1 d .
O10 O 0.3397(3) 0.0940(4) 1.0177(6) 0.093(2) Uani 1 1 d .
C1 C 0.5493(3) 0.3146(4) 0.8985(5) 0.055(2) Uani 1 1 d .
C2 C 0.5216(3) 0.3621(5) 0.8263(5) 0.077(3) Uani 1 1 d .
H2A H 0.4971 0.3850 0.8415 0.092 Uiso 1 1 calc R
H2B H 0.5433 0.3946 0.8173 0.092 Uiso 1 1 calc R
C3 C 0.5887(3) 0.2797(5) 0.8758(6) 0.067(2) Uani 1 1 d .
H3A H 0.6044 0.2465 0.9190 0.080 Uiso 1 1 calc R
H3B H 0.5753 0.2586 0.8194 0.080 Uiso 1 1 calc R
C4 C 0.5719(3) 0.3519(5) 0.9812(5) 0.062(2) Uani 1 1 d .
H4A H 0.5949 0.3834 0.9746 0.074 Uiso 1 1 calc R
H4B H 0.5474 0.3761 0.9947 0.074 Uiso 1 1 calc R
C5 C 0.5154(3) 0.2597(5) 0.9092(6) 0.071(3) Uani 1 1 d .
H5A H 0.4990 0.2377 0.8543 0.085 Uiso 1 1 calc R
H5B H 0.5336 0.2273 0.9516 0.085 Uiso 1 1 calc R
C6 C 0.6486(3) 0.3230(4) 0.8217(5) 0.060(2) Uani 1 1 d .
C7 C 0.6499(3) 0.2674(5) 0.7760(6) 0.066(2) Uani 1 1 d .
H7A H 0.6327 0.2301 0.7802 0.080 Uiso 1 1 calc R
C8 C 0.6774(3) 0.2671(4) 0.7231(5) 0.060(2) Uani 1 1 d .
H8A H 0.6787 0.2295 0.6918 0.072 Uiso 1 1 calc R
C9 C 0.7026(3) 0.3231(4) 0.7174(5) 0.057(2) Uani 1 1 d .
C10 C 0.7019(3) 0.3763(5) 0.7658(6) 0.063(2) Uani 1 1 d .
H10A H 0.7195 0.4136 0.7631 0.076 Uiso 1 1 calc R
C11 C 0.6758(3) 0.3760(5) 0.8186(6) 0.067(2) Uani 1 1 d .
H11A H 0.6766 0.4126 0.8530 0.080 Uiso 1 1 calc R
C12 C 0.7282(3) 0.3249(5) 0.6545(5) 0.058(2) Uani 1 1 d .
C13 C 0.6212(3) 0.3323(5) 1.1284(6) 0.068(2) Uani 1 1 d .
C14 C 0.6292(4) 0.3970(6) 1.1493(7) 0.088(3) Uani 1 1 d .
H14A H 0.6156 0.4285 1.1064 0.106 Uiso 1 1 calc R
C15 C 0.6568(4) 0.4176(5) 1.2323(6) 0.085(3) Uani 1 1 d .
H15A H 0.6611 0.4622 1.2455 0.102 Uiso 1 1 calc R
C16 C 0.6778(3) 0.3711(5) 1.2944(6) 0.065(2) Uiso 1 1 d .
C17 C 0.6686(4) 0.3065(5) 1.2729(6) 0.078(3) Uani 1 1 d .
H17A H 0.6810 0.2749 1.3161 0.094 Uiso 1 1 calc R
C18 C 0.6421(4) 0.2859(5) 1.1913(6) 0.078(3) Uani 1 1 d .
H18A H 0.6382 0.2412 1.1783 0.094 Uiso 1 1 calc R
C19 C 0.7090(4) 0.3916(5) 1.3826(6) 0.071(3) Uani 1 1 d .
C20 C 0.4509(3) 0.2557(5) 0.9609(7) 0.072(3) Uani 1 1 d .
C21 C 0.4233(4) 0.2869(5) 0.9964(8) 0.093(4) Uani 1 1 d .
H21A H 0.4271 0.3321 1.0054 0.112 Uiso 1 1 calc R
C22 C 0.3894(4) 0.2550(5) 1.0204(7) 0.084(3) Uani 1 1 d .
H22A H 0.3708 0.2786 1.0452 0.101 Uiso 1 1 calc R
C23 C 0.3828(3) 0.1889(5) 1.0082(6) 0.071(2) Uani 1 1 d .
C24 C 0.4107(4) 0.1562(5) 0.9731(8) 0.096(4) Uani 1 1 d .
H24A H 0.4077 0.1108 0.9658 0.115 Uiso 1 1 calc R
C25 C 0.4446(4) 0.1907(6) 0.9472(7) 0.089(3) Uani 1 1 d .
H25A H 0.4627 0.1681 0.9205 0.106 Uiso 1 1 calc R
C26 C 0.3447(3) 0.1541(5) 1.0303(6) 0.068(2) Uani 1 1 d .
C27 C 0.7646(3) 0.5681(4) 0.5363(7) 0.069(3) Uani 1 1 d .
H27A H 0.7671 0.5650 0.4819 0.083 Uiso 1 1 calc R
C28 C 0.7556(4) 0.6083(6) 0.6520(7) 0.092(3) Uani 1 1 d .
H28A H 0.7510 0.6370 0.6922 0.111 Uiso 1 1 calc R
C29 C 0.7608(5) 0.5427(5) 0.6602(8) 0.098(4) Uani 1 1 d .
H29A H 0.7606 0.5178 0.7075 0.118 Uiso 1 1 calc R
C30 C 0.7549(3) 0.6899(4) 0.5372(6) 0.058(2) Uani 1 1 d .
C31 C 0.7805(3) 0.7049(4) 0.4877(7) 0.073(3) Uani 1 1 d .
H31A H 0.8013 0.6737 0.4792 0.088 Uiso 1 1 calc R
C32 C 0.7235(4) 0.7340(4) 0.5507(6) 0.071(3) Uani 1 1 d .
H32A H 0.7055 0.7231 0.5846 0.085 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'
Cd Cd -0.8075 1.2024 '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'
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
O6 Cd1 O6 180.0(3) 7_656 .
O6 Cd1 O8 92.8(2) 7_656 1_554
O6 Cd1 O8 87.2(2) . 1_554
O6 Cd1 O8 87.2(2) 7_656 7_657
O6 Cd1 O8 92.8(2) . 7_657
O8 Cd1 O8 180.0(3) 1_554 7_657
O6 Cd1 O9 90.1(2) 7_656 8
O6 Cd1 O9 89.9(2) . 8
O8 Cd1 O9 81.7(2) 1_554 8
O8 Cd1 O9 98.3(2) 7_657 8
O6 Cd1 O9 89.9(2) 7_656 2_656
O6 Cd1 O9 90.1(2) . 2_656
O8 Cd1 O9 98.3(2) 1_554 2_656
O8 Cd1 O9 81.7(2) 7_657 2_656
O9 Cd1 O9 180.0(4) 8 2_656
O6 Cd1 Cd2 108.55(16) 7_656 .
O6 Cd1 Cd2 71.45(16) . .
O8 Cd1 Cd2 41.20(17) 1_554 .
O8 Cd1 Cd2 138.80(17) 7_657 .
O9 Cd1 Cd2 45.89(15) 8 .
O9 Cd1 Cd2 134.11(15) 2_656 .
O6 Cd1 Cd2 71.45(16) 7_656 7_656
O6 Cd1 Cd2 108.55(16) . 7_656
O8 Cd1 Cd2 138.80(17) 1_554 7_656
O8 Cd1 Cd2 41.20(17) 7_657 7_656
O9 Cd1 Cd2 134.11(15) 8 7_656
O9 Cd1 Cd2 45.89(15) 2_656 7_656
Cd2 Cd1 Cd2 180.0 . 7_656
O5 Cd2 N1 92.0(3) . .
O5 Cd2 O10 135.6(3) . 8
N1 Cd2 O10 108.1(3) . 8
O5 Cd2 O8 93.1(2) . 1_554
N1 Cd2 O8 131.4(3) . 1_554
O10 Cd2 O8 101.3(3) 8 1_554
O5 Cd2 O9 88.6(2) . 8
N1 Cd2 O9 151.2(3) . 8
O10 Cd2 O9 55.0(2) 8 8
O8 Cd2 O9 77.2(2) 1_554 8
O5 Cd2 O7 129.2(3) . 1_554
N1 Cd2 O7 86.9(3) . 1_554
O10 Cd2 O7 92.0(3) 8 1_554
O8 Cd2 O7 53.8(2) 1_554 1_554
O9 Cd2 O7 114.6(2) 8 1_554
O5 Cd2 C26 114.1(3) . 8
N1 Cd2 C26 132.6(3) . 8
O10 Cd2 C26 27.2(2) 8 8
O8 Cd2 C26 87.9(3) 1_554 8
O9 Cd2 C26 28.0(2) 8 8
O7 Cd2 C26 103.1(3) 1_554 8
O5 Cd2 C19 114.0(3) . 1_554
N1 Cd2 C19 110.6(3) . 1_554
O10 Cd2 C19 95.7(3) 8 1_554
O8 Cd2 C19 27.2(3) 1_554 1_554
O9 Cd2 C19 95.3(2) 8 1_554
O7 Cd2 C19 26.7(2) 1_554 1_554
C26 Cd2 C19 94.5(3) 8 1_554
O5 Cd2 Cd1 75.86(17) . .
N1 Cd2 Cd1 163.5(2) . .
O10 Cd2 Cd1 88.42(19) 8 .
O8 Cd2 Cd1 40.51(15) 1_554 .
O9 Cd2 Cd1 41.70(14) 8 .
O7 Cd2 Cd1 92.14(17) 1_554 .
C26 Cd2 Cd1 63.6(2) 8 .
C19 Cd2 Cd1 65.9(2) 1_554 .
C27 N1 C29 107.7(8) . .
C27 N1 Cd2 123.3(6) . .
C29 N1 Cd2 128.9(6) . .
C27 N2 C28 106.1(8) . .
C27 N2 C30 126.5(7) . .
C28 N2 C30 127.4(8) . .
C2 O1 C2 114.3(11) 2_656 .
C6 O2 C3 120.0(7) . .
C13 O3 C4 120.0(8) . .
C20 O4 C5 118.0(8) . .
C12 O5 Cd2 130.0(6) . .
C12 O6 Cd1 134.8(5) . .
C19 O7 Cd2 87.9(6) . 1_556
C19 O8 Cd1 150.4(6) . 1_556
C19 O8 Cd2 96.6(6) . 1_556
Cd1 O8 Cd2 98.3(2) 1_556 1_556
C26 O9 Cd1 133.7(6) . 2_656
C26 O9 Cd2 85.0(6) . 8_456
Cd1 O9 Cd2 92.4(2) 2_656 8_456
C26 O10 Cd2 96.3(6) . 8_456
C4 C1 C2 109.3(8) . .
C4 C1 C3 108.9(7) . .
C2 C1 C3 110.5(7) . .
C4 C1 C5 110.9(6) . .
C2 C1 C5 110.6(7) . .
C3 C1 C5 106.5(7) . .
O1 C2 C1 107.2(8) . .
O1 C2 H2A 110.3 . .
C1 C2 H2A 110.3 . .
O1 C2 H2B 110.3 . .
C1 C2 H2B 110.3 . .
H2A C2 H2B 108.5 . .
O2 C3 C1 106.2(7) . .
O2 C3 H3A 110.5 . .
C1 C3 H3A 110.5 . .
O2 C3 H3B 110.5 . .
C1 C3 H3B 110.5 . .
H3A C3 H3B 108.7 . .
O3 C4 C1 109.9(8) . .
O3 C4 H4A 109.7 . .
C1 C4 H4A 109.7 . .
O3 C4 H4B 109.7 . .
C1 C4 H4B 109.7 . .
H4A C4 H4B 108.2 . .
O4 C5 C1 105.7(7) . .
O4 C5 H5A 110.6 . .
C1 C5 H5A 110.6 . .
O4 C5 H5B 110.6 . .
C1 C5 H5B 110.6 . .
H5A C5 H5B 108.7 . .
C11 C6 C7 119.8(8) . .
C11 C6 O2 115.4(8) . .
C7 C6 O2 124.7(8) . .
C6 C7 C8 119.3(8) . .
C6 C7 H7A 120.4 . .
C8 C7 H7A 120.4 . .
C9 C8 C7 119.6(8) . .
C9 C8 H8A 120.2 . .
C7 C8 H8A 120.2 . .
C10 C9 C8 119.6(8) . .
C10 C9 C12 120.9(8) . .
C8 C9 C12 119.4(8) . .
C9 C10 C11 120.7(9) . .
C9 C10 H10A 119.7 . .
C11 C10 H10A 119.7 . .
C10 C11 C6 120.9(9) . .
C10 C11 H11A 119.6 . .
C6 C11 H11A 119.6 . .
O6 C12 O5 126.1(7) . .
O6 C12 C9 118.1(8) . .
O5 C12 C9 115.8(8) . .
O3 C13 C14 125.2(9) . .
O3 C13 C18 116.0(9) . .
C14 C13 C18 118.8(10) . .
C13 C14 C15 122.1(10) . .
C13 C14 H14A 119.0 . .
C15 C14 H14A 119.0 . .
C16 C15 C14 118.8(10) . .
C16 C15 H15A 120.6 . .
C14 C15 H15A 120.6 . .
C17 C16 C15 118.3(9) . .
C17 C16 C19 121.7(9) . .
C15 C16 C19 120.0(9) . .
C18 C17 C16 123.1(9) . .
C18 C17 H17A 118.5 . .
C16 C17 H17A 118.5 . .
C17 C18 C13 118.8(10) . .
C17 C18 H18A 120.6 . .
C13 C18 H18A 120.6 . .
O7 C19 O8 121.2(9) . .
O7 C19 C16 120.0(9) . .
O8 C19 C16 118.7(9) . .
O7 C19 Cd2 65.4(5) . 1_556
O8 C19 Cd2 56.2(5) . 1_556
C16 C19 Cd2 173.3(7) . 1_556
C21 C20 O4 116.7(9) . .
C21 C20 C25 118.3(9) . .
O4 C20 C25 125.0(9) . .
C20 C21 C22 122.5(10) . .
C20 C21 H21A 118.7 . .
C22 C21 H21A 118.7 . .
C23 C22 C21 120.4(9) . .
C23 C22 H22A 119.8 . .
C21 C22 H22A 119.8 . .
C24 C23 C22 118.1(9) . .
C24 C23 C26 120.9(10) . .
C22 C23 C26 121.0(9) . .
C23 C24 C25 120.3(10) . .
C23 C24 H24A 119.9 . .
C25 C24 H24A 119.9 . .
C20 C25 C24 120.4(9) . .
C20 C25 H25A 119.8 . .
C24 C25 H25A 119.8 . .
O10 C26 O9 123.2(9) . .
O10 C26 C23 118.9(9) . .
O9 C26 C23 117.8(9) . .
O10 C26 Cd2 56.5(5) . 8_456
O9 C26 Cd2 67.1(5) . 8_456
C23 C26 Cd2 172.5(7) . 8_456
N1 C27 N2 110.8(8) . .
N1 C27 H27A 124.6 . .
N2 C27 H27A 124.6 . .
C29 C28 N2 107.5(9) . .
C29 C28 H28A 126.2 . .
N2 C28 H28A 126.2 . .
C28 C29 N1 107.9(9) . .
C28 C29 H29A 126.0 . .
N1 C29 H29A 126.0 . .
C31 C30 C32 121.6(8) . .
C31 C30 N2 119.5(8) . .
C32 C30 N2 118.8(7) . .
C30 C31 C32 120.7(8) . 7_666
C30 C31 H31A 119.7 . .
C32 C31 H31A 119.7 7_666 .
C30 C32 C31 117.8(8) . 7_666
C30 C32 H32A 121.1 . .
C31 C32 H32A 121.1 7_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O6 2.219(5) 7_656
Cd1 O6 2.219(5) .
Cd1 O8 2.274(6) 1_554
Cd1 O8 2.274(6) 7_657
Cd1 O9 2.307(6) 8
Cd1 O9 2.307(6) 2_656
Cd1 Cd2 3.4648(10) .
Cd1 Cd2 3.4648(10) 7_656
Cd2 O5 2.158(6) .
Cd2 N1 2.205(7) .
Cd2 O10 2.259(6) 8
Cd2 O8 2.307(7) 1_554
Cd2 O9 2.490(6) 8
Cd2 O7 2.508(6) 1_554
Cd2 C26 2.693(9) 8
Cd2 C19 2.757(10) 1_554
N1 C27 1.287(11) .
N1 C29 1.373(12) .
N2 C27 1.356(10) .
N2 C28 1.367(11) .
N2 C30 1.431(11) .
O1 C2 1.414(10) 2_656
O1 C2 1.414(10) .
O2 C6 1.369(9) .
O2 C3 1.430(10) .
O3 C13 1.352(11) .
O3 C4 1.389(10) .
O4 C20 1.332(10) .
O4 C5 1.429(10) .
O5 C12 1.260(10) .
O6 C12 1.251(10) .
O7 C19 1.241(11) .
O7 Cd2 2.508(6) 1_556
O8 C19 1.267(11) .
O8 Cd1 2.274(6) 1_556
O8 Cd2 2.307(7) 1_556
O9 C26 1.267(10) .
O9 Cd1 2.307(6) 2_656
O9 Cd2 2.490(6) 8_456
O10 C26 1.238(11) .
O10 Cd2 2.259(6) 8_456
C1 C4 1.492(11) .
C1 C2 1.523(12) .
C1 C3 1.529(11) .
C1 C5 1.554(12) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C11 1.360(12) .
C6 C7 1.365(12) .
C7 C8 1.394(10) .
C7 H7A 0.9300 .
C8 C9 1.384(11) .
C8 H8A 0.9300 .
C9 C10 1.346(12) .
C9 C12 1.493(10) .
C10 C11 1.359(11) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C13 C14 1.357(14) .
C13 C18 1.372(12) .
C14 C15 1.383(14) .
C14 H14A 0.9300 .
C15 C16 1.367(13) .
C15 H15A 0.9300 .
C16 C17 1.361(13) .
C16 C19 1.474(13) .
C17 C18 1.356(13) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 Cd2 2.757(10) 1_556
C20 C21 1.328(12) .
C20 C25 1.340(13) .
C21 C22 1.372(13) .
C21 H21A 0.9300 .
C22 C23 1.359(13) .
C22 H22A 0.9300 .
C23 C24 1.346(12) .
C23 C26 1.487(13) .
C24 C25 1.415(13) .
C24 H24A 0.9300 .
C25 H25A 0.9300 .
C26 Cd2 2.693(9) 8_456
C27 H27A 0.9300 .
C28 C29 1.342(14) .
C28 H28A 0.9300 .
C29 H29A 0.9300 .
C30 C31 1.337(11) .
C30 C32 1.369(11) .
C31 C32 1.377(12) 7_666
C31 H31A 0.9300 .
C32 C31 1.377(12) 7_666
C32 H32A 0.9300 .
