#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324770.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_4324770
loop_
_publ_author_name
'Susan M. Vickers'
'Peter D. Frischmann'
'Mark J. MacLachlan'
_publ_section_title
;
 Family of Cadmium Acetate Coordination Networks With Structurally Diverse
 [Cd4(OAc)9(μ3-OH)]2- Secondary Building Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2957
_journal_page_last               2965
_journal_paper_doi               10.1021/ic1023828
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C54 H83 Cd14.5 O68'
_chemical_formula_weight         3450.00
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(0)
_cell_angle_beta                 90.000(0)
_cell_angle_gamma                120.000(0)
_cell_formula_units_Z            6
_cell_length_a                   19.060(2)
_cell_length_b                   19.060(2)
_cell_length_c                   50.017(6)
_cell_measurement_reflns_used    9719
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.82
_cell_measurement_theta_min      2.46
_cell_volume                     15736(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker X8 Apex II'
_diffrn_measurement_method       'area detector'
_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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       76
_diffrn_reflns_limit_l_min       -71
_diffrn_reflns_number            77286
_diffrn_reflns_theta_full        32.81
_diffrn_reflns_theta_max         32.81
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    2.974
_exptl_absorpt_correction_T_max  0.410
_exptl_absorpt_correction_T_min  0.350
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.184
_exptl_crystal_description       cube
_exptl_crystal_F_000             9882
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         4.139
_refine_diff_density_min         -3.987
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         12964
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0515
_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)+(0.0343P)²+453.4580P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1304
_reflns_number_gt                10232
_reflns_number_total             12964
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1023828_si_002_2.cif
_cod_data_source_block           Complex2
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C54 H83 Cd14.50 O68'
_cod_database_code               4324770
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
C1 C 0.0421(4) 0.2141(3) 0.00588(10) 0.0356(11) Uani 1 1 d . . .
H1A H 0.0413 0.1767 0.0189 0.053 Uiso 1 1 calc R . .
H1B H -0.0028 0.2226 0.0089 0.053 Uiso 1 1 calc R . .
H1C H 0.0919 0.2647 0.0074 0.053 Uiso 1 1 calc R . .
C2 C 0.0359(3) 0.1801(3) -0.02160(9) 0.0245(8) Uani 1 1 d . . .
C3 C 0.2686(4) 0.1478(4) -0.07666(13) 0.0416(13) Uani 1 1 d . . .
H3A H 0.2578 0.0929 -0.0777 0.062 Uiso 1 1 calc R . .
H3B H 0.3009 0.1735 -0.0611 0.062 Uiso 1 1 calc R . .
H3C H 0.2975 0.1767 -0.0924 0.062 Uiso 1 1 calc R . .
C4 C 0.1905(3) 0.1480(3) -0.07486(10) 0.0315(10) Uani 1 1 d . . .
C5 C 0.0403(5) 0.2121(4) -0.15490(11) 0.0465(15) Uani 1 1 d . . .
H5A H 0.0429 0.2636 -0.1535 0.070 Uiso 1 1 calc R . .
H5B H -0.0072 0.1752 -0.1648 0.070 Uiso 1 1 calc R . .
H5C H 0.0876 0.2189 -0.1640 0.070 Uiso 1 1 calc R . .
C6 C 0.0365(4) 0.1786(4) -0.12733(10) 0.0338(11) Uani 1 1 d . . .
C7 C -0.1731(6) 0.0423(6) -0.15228(16) 0.068(2) Uani 1 1 d . . .
H7A H -0.2212 0.0447 -0.1560 0.101 Uiso 1 1 calc R . .
H7B H -0.1331 0.0925 -0.1445 0.101 Uiso 1 1 calc R . .
H7C H -0.1858 -0.0013 -0.1400 0.101 Uiso 1 1 calc R . .
C8 C -0.1409(4) 0.0281(5) -0.17756(12) 0.0477(16) Uani 1 1 d . . .
C9 C -0.2965(6) -0.2238(9) -0.2240(2) 0.116(5) Uani 1 1 d . . .
H9A H -0.3250 -0.1955 -0.2283 0.174 Uiso 1 1 calc R . .
H9B H -0.3044 -0.2388 -0.2055 0.174 Uiso 1 1 calc R . .
H9C H -0.3169 -0.2716 -0.2349 0.174 Uiso 1 1 calc R . .
C10 C -0.2103(4) -0.1712(5) -0.22927(13) 0.0542(19) Uani 1 1 d . . .
C11 C -0.1515(4) 0.0658(4) -0.31267(10) 0.0359(11) Uani 1 1 d . . .
H11A H -0.1940 0.0787 -0.3111 0.054 Uiso 1 1 calc R . .
H11B H -0.1697 0.0185 -0.3237 0.054 Uiso 1 1 calc R . .
H11C H -0.1048 0.1105 -0.3207 0.054 Uiso 1 1 calc R . .
C12 C -0.1296(3) 0.0495(3) -0.28535(10) 0.0285(9) Uani 1 1 d . . .
C13 C -0.2212(4) -0.1529(4) -0.30792(13) 0.0443(14) Uani 1 1 d . . .
H13A H -0.1812 -0.1260 -0.2942 0.067 Uiso 1 1 calc R . .
H13B H -0.2443 -0.2105 -0.3062 0.067 Uiso 1 1 calc R . .
H13C H -0.2631 -0.1392 -0.3061 0.067 Uiso 1 1 calc R . .
C14 C -0.1821(3) -0.1265(3) -0.33486(11) 0.0310(10) Uani 1 1 d . . .
C16 C -0.1793(3) 0.2646(3) -0.28523(11) 0.0321(10) Uani 1 1 d . . .
C17 C -0.4018(8) 0.0920(9) -0.20421(18) 0.105(5) Uani 1 1 d . . .
H17A H -0.3724 0.0633 -0.2050 0.157 Uiso 1 1 calc R . .
H17B H -0.4577 0.0546 -0.2003 0.157 Uiso 1 1 calc R . .
H17C H -0.3793 0.1324 -0.1904 0.157 Uiso 1 1 calc R . .
C18 C -0.3956(5) 0.1317(6) -0.23029(14) 0.062(2) Uani 1 1 d . . .
O1 O 0.0325(2) 0.1128(2) -0.02525(6) 0.0239(6) Uani 1 1 d . . .
O2 O 0.0362(2) 0.2211(2) -0.04128(7) 0.0306(7) Uani 1 1 d . . .
O3 O 0.1236(2) 0.0808(2) -0.07476(7) 0.0299(7) Uani 1 1 d . . .
O4 O 0.1888(3) 0.2119(2) -0.07335(9) 0.0403(9) Uani 1 1 d . . .
O5 O 0.0328(3) 0.1117(2) -0.12386(7) 0.0338(8) Uani 1 1 d . . .
O6 O 0.0403(3) 0.2212(3) -0.10759(7) 0.0379(9) Uani 1 1 d . . .
O7 O -0.0785(2) 0.0228(3) -0.17768(7) 0.0325(8) Uani 1 1 d . . .
O8 O -0.1769(4) 0.0244(6) -0.19896(11) 0.092(3) Uani 1 1 d . . .
O9 O -0.0327(5) 0.1588(4) -0.22554(15) 0.092(2) Uani 1 1 d . . .
O10 O -0.1931(5) -0.1015(5) -0.23698(17) 0.121(4) Uani 1 1 d . . .
O11 O -0.0755(2) 0.0313(2) -0.28226(7) 0.0268(6) Uani 1 1 d . . .
O12 O -0.1664(3) 0.0551(3) -0.26513(8) 0.0418(10) Uani 1 1 d . A .
O13 O -0.1074(2) -0.0767(2) -0.33706(7) 0.0293(7) Uani 1 1 d . . .
O14 O -0.4031(2) 0.1081(2) -0.31117(9) 0.0385(9) Uani 1 1 d . . .
O17 O -0.4276(6) 0.1710(7) -0.23424(16) 0.122(4) Uani 1 1 d . A .
O18 O -0.3532(5) 0.1299(6) -0.24919(11) 0.096(3) Uani 1 1 d . A .
O19 O 0.0000 0.0000 -0.22594(13) 0.0359(14) Uani 1 3 d S . .
H19 H 0.0000 0.0000 -0.2063 0.043 Uiso 1 3 calc SR . .
O20 O -0.3333 0.3333 -0.26698(18) 0.062(2) Uani 1 3 d S . .
H20 H -0.3333 0.3333 -0.2474 0.074 Uiso 1 3 calc SR . .
O21 O -0.1749(6) 0.1701(5) -0.22547(14) 0.107(3) Uani 1 1 d . A .
O23 O -0.3411(2) 0.0151(2) -0.29297(9) 0.0383(9) Uani 1 1 d . A .
O24 O -0.1798(15) 0.2861(8) -0.2003(2) 0.265(12) Uani 1 1 d . . .
Cd1 Cd 0.0000 0.0000 0.0000 0.01784(12) Uani 1 6 d S . .
Cd2 Cd 0.04679(2) 0.14388(2) -0.074250(6) 0.02631(8) Uani 1 1 d . . .
Cd3 Cd 0.0000 0.0000 -0.148992(11) 0.02733(12) Uani 1 3 d S . .
Cd4 Cd -0.09660(3) 0.02573(3) -0.232846(9) 0.04518(12) Uani 1 1 d . . .
Cd5 Cd 0.0000 0.0000 -0.309852(10) 0.02116(10) Uani 1 3 d S . .
Cd6 Cd -0.36689(2) 0.20937(3) -0.280156(8) 0.03687(10) Uani 1 1 d . . .
Cd7 Cd -0.26344(2) 0.08873(2) -0.257686(8) 0.03100(8) Uani 1 1 d . . .
C15 C -0.0908(5) 0.3217(5) -0.2872(2) 0.0409(19) Uani 0.70 1 d P A 1
H15A H -0.0800 0.3761 -0.2847 0.061 Uiso 0.70 1 calc PR A 1
H15B H -0.0719 0.3168 -0.3045 0.061 Uiso 0.70 1 calc PR A 1
H15C H -0.0632 0.3090 -0.2736 0.061 Uiso 0.70 1 calc PR A 1
O15 O -0.2040(3) 0.1903(3) -0.28805(11) 0.0323(11) Uani 0.70 1 d P A 1
O16 O -0.2274(3) 0.2923(3) -0.28525(11) 0.0284(10) Uani 0.70 1 d P A 1
O22 O -0.3120(4) -0.0002(4) -0.22425(13) 0.0421(14) Uani 0.70 1 d P A 1
O15B O -0.2408(8) 0.2016(8) -0.2773(3) 0.033(3) Uani 0.30 1 d P A 2
O22B O -0.3079(6) -0.0400(7) -0.2396(3) 0.033(3) Uani 0.30 1 d P A 2
O16B O -0.1686(15) 0.3295(13) -0.2902(4) 0.069(6) Uani 0.30 1 d P A 2
C15B C -0.0990(14) 0.2699(15) -0.2748(9) 0.086(12) Uani 0.30 1 d P A 2
H15D H -0.1089 0.2165 -0.2708 0.129 Uiso 0.30 1 calc PR A 2
H15E H -0.0812 0.3027 -0.2589 0.129 Uiso 0.30 1 calc PR A 2
H15F H -0.0579 0.2939 -0.2883 0.129 Uiso 0.30 1 calc PR A 2
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'
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
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O2 C2 O1 120.0(4) . .
O2 C2 C1 118.4(4) . .
O1 C2 C1 121.6(4) . .
O2 C2 Cd2 55.2(2) . .
O1 C2 Cd2 65.2(2) . .
C1 C2 Cd2 170.0(4) . .
C4 C3 H3A 109.5 . .
C4 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C4 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O4 C4 O3 118.9(5) . .
O4 C4 C3 121.6(5) . .
O3 C4 C3 119.6(5) . .
O4 C4 Cd2 60.2(3) . .
O3 C4 Cd2 58.8(3) . .
C3 C4 Cd2 176.8(4) . .
C6 C5 H5A 109.5 . .
C6 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C6 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O5 C6 O6 120.3(5) . .
O5 C6 C5 121.7(5) . .
O6 C6 C5 118.0(5) . .
C8 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C8 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O7 C8 O8 120.7(6) . .
O7 C8 C7 121.2(6) . .
O8 C8 C7 118.1(7) . .
C10 C9 H9A 109.5 . .
C10 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C10 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O9 C10 O10 123.1(8) 2 .
O9 C10 C9 123.8(11) 2 .
O10 C10 C9 113.0(10) . .
C12 C11 H11A 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C12 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O11 C12 O12 119.5(4) . .
O11 C12 C11 121.4(4) . .
O12 C12 C11 119.0(5) . .
C14 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C14 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O13 C14 O14 120.1(5) . 14_444
O13 C14 C13 121.0(5) . .
O14 C14 C13 118.9(5) 14_444 .
O13 C14 Cd6 64.5(3) . 14_444
O14 C14 Cd6 55.7(3) 14_444 14_444
C13 C14 Cd6 174.4(4) . 14_444
O16B C16 O15B 131.6(13) . .
O16B C16 O15 158.8(14) . .
O15B C16 O15 46.4(6) . .
O16B C16 O16 48.8(11) . .
O15B C16 O16 82.8(7) . .
O15 C16 O16 121.9(6) . .
O16B C16 C15 71.3(12) . .
O15B C16 C15 154.2(8) . .
O15 C16 C15 117.8(6) . .
O16 C16 C15 119.3(6) . .
O16B C16 C15B 110.6(16) . .
O15B C16 C15B 111.8(13) . .
O15 C16 C15B 85.1(11) . .
O16 C16 C15B 149.1(13) . .
C15 C16 C15B 42.4(11) . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O17 C18 O18 115.5(7) . .
O17 C18 C17 122.0(8) . .
O18 C18 C17 122.5(8) . .
C2 O1 Cd1 136.3(3) . .
C2 O1 Cd2 87.5(3) . .
Cd1 O1 Cd2 134.97(14) . .
C2 O2 Cd2 98.0(3) . .
C4 O3 Cd2 131.6(4) . 3
C4 O3 Cd2 93.0(3) . .
Cd2 O3 Cd2 135.36(18) 3 .
C4 O4 Cd2 92.6(3) . .
C6 O5 Cd3 136.5(3) . .
C6 O5 Cd2 86.8(3) . .
Cd3 O5 Cd2 135.51(17) . .
C6 O6 Cd2 99.2(3) . .
C8 O7 Cd3 139.7(4) . .
C8 O8 Cd4 106.8(4) . .
C10 O9 Cd4 129.6(7) 3 .
C10 O10 Cd4 140.1(6) . .
C12 O11 Cd5 135.5(3) . .
C12 O11 Cd4 89.8(3) . .
Cd5 O11 Cd4 134.25(16) . .
C12 O12 Cd7 136.0(4) . .
C12 O12 Cd4 97.3(3) . .
Cd7 O12 Cd4 126.68(17) . .
C14 O13 Cd5 138.2(3) . .
C14 O13 Cd6 88.4(3) . 14_444
Cd5 O13 Cd6 133.37(17) . 14_444
C14 O14 Cd6 97.4(4) 15_454 .
C18 O17 Cd6 91.6(5) . .
C18 O18 Cd7 139.8(5) . .
C18 O18 Cd6 101.8(5) . .
Cd7 O18 Cd6 117.7(2) . .
Cd4 O19 Cd4 117.49(9) 2 .
Cd4 O19 Cd4 117.49(9) 2 3
Cd4 O19 Cd4 117.49(9) . 3
Cd4 O19 H19 99.2 2 .
Cd4 O19 H19 99.2 . .
Cd4 O19 H19 99.2 3 .
Cd6 O20 Cd6 111.6(2) . 2_565
Cd6 O20 Cd6 111.6(2) . 3_455
Cd6 O20 Cd6 111.6(2) 2_565 3_455
Cd6 O20 H20 107.3 . .
Cd6 O20 H20 107.3 2_565 .
Cd6 O20 H20 107.3 3_455 .
O1 Cd1 O1 92.63(11) 11 12
O1 Cd1 O1 92.63(11) 11 10
O1 Cd1 O1 92.63(11) 12 10
O1 Cd1 O1 180.00(13) 11 2
O1 Cd1 O1 87.37(11) 12 2
O1 Cd1 O1 87.37(11) 10 2
O1 Cd1 O1 87.37(11) 11 .
O1 Cd1 O1 87.37(11) 12 .
O1 Cd1 O1 180.0(2) 10 .
O1 Cd1 O1 92.63(11) 2 .
O1 Cd1 O1 87.37(11) 11 3
O1 Cd1 O1 180.00(18) 12 3
O1 Cd1 O1 87.37(11) 10 3
O1 Cd1 O1 92.63(11) 2 3
O1 Cd1 O1 92.63(11) . 3
O3 Cd2 O6 99.39(15) 2 .
O3 Cd2 O2 98.95(14) 2 .
O6 Cd2 O2 93.47(13) . .
O3 Cd2 O3 104.61(18) 2 .
O6 Cd2 O3 125.71(14) . .
O2 Cd2 O3 128.72(13) . .
O3 Cd2 O4 159.99(14) 2 .
O6 Cd2 O4 94.44(16) . .
O2 Cd2 O4 94.54(15) . .
O3 Cd2 O4 55.39(14) . .
O3 Cd2 O1 82.18(12) 2 .
O6 Cd2 O1 146.93(12) . .
O2 Cd2 O1 54.01(11) . .
O3 Cd2 O1 84.82(12) . .
O4 Cd2 O1 94.05(13) . .
O3 Cd2 O5 80.90(13) 2 .
O6 Cd2 O5 53.53(13) . .
O2 Cd2 O5 145.95(13) . .
O3 Cd2 O5 83.16(13) . .
O4 Cd2 O5 96.05(15) . .
O1 Cd2 O5 156.03(12) . .
O3 Cd2 C4 132.79(15) 2 .
O6 Cd2 C4 110.89(16) . .
O2 Cd2 C4 113.85(15) . .
O3 Cd2 C4 28.19(14) . .
O4 Cd2 C4 27.23(15) . .
O1 Cd2 C4 90.36(13) . .
O5 Cd2 C4 88.78(14) . .
O3 Cd2 C2 92.37(13) 2 .
O6 Cd2 C2 120.25(14) . .
O2 Cd2 C2 26.81(13) . .
O3 Cd2 C2 106.69(13) . .
O4 Cd2 C2 93.07(15) . .
O1 Cd2 C2 27.30(12) . .
O5 Cd2 C2 169.31(14) . .
C4 Cd2 C2 101.86(15) . .
O7 Cd3 O7 84.17(14) 2 .
O7 Cd3 O7 84.17(14) 2 3
O7 Cd3 O7 84.17(14) . 3
O7 Cd3 O5 173.36(14) 2 .
O7 Cd3 O5 93.97(14) . .
O7 Cd3 O5 89.30(14) 3 .
O7 Cd3 O5 93.97(14) 2 2
O7 Cd3 O5 89.30(14) . 2
O7 Cd3 O5 173.36(14) 3 2
O5 Cd3 O5 92.38(13) . 2
O7 Cd3 O5 89.30(14) 2 3
O7 Cd3 O5 173.36(14) . 3
O7 Cd3 O5 93.97(14) 3 3
O5 Cd3 O5 92.38(13) . 3
O5 Cd3 O5 92.38(13) 2 3
O19 Cd4 O10 95.9(3) . .
O19 Cd4 O9 100.9(2) . .
O10 Cd4 O9 161.8(4) . .
O19 Cd4 O8 121.6(2) . .
O10 Cd4 O8 82.6(4) . .
O9 Cd4 O8 82.7(3) . .
O19 Cd4 O12 145.07(19) . .
O10 Cd4 O12 86.4(2) . .
O9 Cd4 O12 83.8(2) . .
O8 Cd4 O12 93.30(16) . .
O19 Cd4 O11 91.74(18) . .
O10 Cd4 O11 89.0(3) . .
O9 Cd4 O11 97.4(2) . .
O8 Cd4 O11 146.18(15) . .
O12 Cd4 O11 53.38(12) . .
O13 Cd5 O13 87.97(14) . 3
O13 Cd5 O13 87.97(14) . 2
O13 Cd5 O13 87.97(14) 3 2
O13 Cd5 O11 92.22(13) . 2
O13 Cd5 O11 179.30(13) 3 2
O13 Cd5 O11 92.71(13) 2 2
O13 Cd5 O11 179.30(14) . 3
O13 Cd5 O11 92.71(13) 3 3
O13 Cd5 O11 92.22(13) 2 3
O11 Cd5 O11 87.10(13) 2 3
O13 Cd5 O11 92.71(13) . .
O13 Cd5 O11 92.22(13) 3 .
O13 Cd5 O11 179.30(13) 2 .
O11 Cd5 O11 87.10(13) 2 .
O11 Cd5 O11 87.10(13) 3 .
O20 Cd6 O18 116.1(3) . .
O20 Cd6 O14 154.4(2) . .
O18 Cd6 O14 89.2(2) . .
O20 Cd6 O16 71.70(14) . .
O18 Cd6 O16 93.1(3) . .
O14 Cd6 O16 104.95(17) . .
O20 Cd6 O16B 95.8(5) . 3_455
O18 Cd6 O16B 113.5(7) . 3_455
O14 Cd6 O16B 76.0(5) . 3_455
O16 Cd6 O16B 153.4(6) . 3_455
O20 Cd6 O16 71.03(14) . 3_455
O18 Cd6 O16 126.1(2) . 3_455
O14 Cd6 O16 97.85(17) . 3_455
O16 Cd6 O16 134.81(19) . 3_455
O16B Cd6 O16 24.8(5) 3_455 3_455
O20 Cd6 O15B 105.9(3) . .
O18 Cd6 O15B 59.0(4) . .
O14 Cd6 O15B 83.2(3) . .
O16 Cd6 O15B 40.3(3) . .
O16B Cd6 O15B 158.1(6) 3_455 .
O16 Cd6 O15B 174.8(3) 3_455 .
O20 Cd6 O13 100.6(2) . 15_454
O18 Cd6 O13 139.41(19) . 15_454
O14 Cd6 O13 54.14(13) . 15_454
O16 Cd6 O13 81.98(16) . 15_454
O16B Cd6 O13 77.3(5) 3_455 15_454
O16 Cd6 O13 80.66(16) 3_455 15_454
O15B Cd6 O13 96.0(3) . 15_454
O20 Cd6 O17 83.3(3) . .
O18 Cd6 O17 51.1(2) . .
O14 Cd6 O17 118.1(3) . .
O16 Cd6 O17 120.1(3) . .
O16B Cd6 O17 80.2(6) 3_455 .
O16 Cd6 O17 79.6(2) 3_455 .
O15B Cd6 O17 104.4(4) . .
O13 Cd6 O17 157.4(3) 15_454 .
O20 Cd6 C14 127.7(2) . 15_454
O18 Cd6 C14 114.6(2) . 15_454
O14 Cd6 C14 26.96(14) . 15_454
O16 Cd6 C14 93.62(17) . 15_454
O16B Cd6 C14 75.2(4) 3_455 15_454
O16 Cd6 C14 89.47(17) 3_455 15_454
O15B Cd6 C14 89.2(3) . 15_454
O13 Cd6 C14 27.18(13) 15_454 15_454
O17 Cd6 C14 141.6(3) . 15_454
O15B Cd7 O22 151.9(4) . .
O15B Cd7 O18 63.6(4) . .
O22 Cd7 O18 91.4(2) . .
O15B Cd7 O15 25.5(4) . .
O22 Cd7 O15 173.1(2) . .
O18 Cd7 O15 88.4(2) . .
O15B Cd7 O12 114.4(4) . .
O22 Cd7 O12 89.8(2) . .
O18 Cd7 O12 176.2(3) . .
O15 Cd7 O12 90.07(18) . .
O15B Cd7 O23 90.3(4) . .
O22 Cd7 O23 102.6(2) . .
O18 Cd7 O23 89.3(2) . .
O15 Cd7 O23 84.28(18) . .
O12 Cd7 O23 93.96(16) . .
O15B Cd7 O21 86.2(4) . .
O22 Cd7 O21 82.7(3) . .
O18 Cd7 O21 93.6(3) . .
O15 Cd7 O21 90.5(3) . .
O12 Cd7 O21 83.0(2) . .
O23 Cd7 O21 174.0(3) . .
O15B Cd7 O22B 171.1(4) . .
O22 Cd7 O22B 28.0(4) . .
O18 Cd7 O22B 110.7(3) . .
O15 Cd7 O22B 156.6(4) . .
O12 Cd7 O22B 71.7(3) . .
O23 Cd7 O22B 82.6(4) . .
O21 Cd7 O22B 101.3(4) . .
C16 C15 H15A 109.5 . .
C16 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C16 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C16 O15 Cd7 129.2(4) . .
C16 O16 Cd6 122.4(4) . .
C16 O16 Cd6 133.6(4) . 2_565
Cd6 O16 Cd6 102.67(18) . 2_565
C16 O15B Cd7 135.3(8) . .
C16 O15B Cd6 113.2(7) . .
Cd7 O15B Cd6 111.1(6) . .
C16 O16B Cd6 144.4(13) . 2_565
C16 C15B H15D 109.5 . .
C16 C15B H15E 109.5 . .
H15D C15B H15E 109.5 . .
C16 C15B H15F 109.5 . .
H15D C15B H15F 109.5 . .
H15E C15B H15F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.499(7) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 O2 1.255(5) .
C2 O1 1.266(6) .
C2 Cd2 2.757(4) .
C3 C4 1.495(8) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 O4 1.237(7) .
C4 O3 1.277(6) .
C4 Cd2 2.701(6) .
C5 C6 1.507(7) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 O5 1.253(7) .
C6 O6 1.258(6) .
C7 C8 1.488(9) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 O7 1.243(7) .
C8 O8 1.254(8) .
C9 C10 1.458(12) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 O9 1.236(11) 2
C10 O10 1.260(12) .
C11 C12 1.506(7) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 O11 1.251(6) .
C12 O12 1.266(6) .
C13 C14 1.499(9) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 O13 1.261(6) .
C14 O14 1.261(6) 14_444
C14 Cd6 2.759(6) 14_444
C16 O16B 1.174(17) .
C16 O15B 1.250(15) .
C16 O15 1.258(7) .
C16 O16 1.267(7) .
C16 C15 1.485(10) .
C16 C15B 1.57(3) .
C17 C18 1.483(11) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 O17 1.195(10) .
C18 O18 1.255(8) .
O1 Cd1 2.295(3) .
O1 Cd2 2.504(3) .
O2 Cd2 2.286(4) .
O3 Cd2 2.223(4) 3
O3 Cd2 2.313(4) .
O4 Cd2 2.345(4) .
O5 Cd3 2.274(4) .
O5 Cd2 2.538(4) .
O6 Cd2 2.270(4) .
O7 Cd3 2.266(4) .
O8 Cd4 2.275(6) .
O9 C10 1.236(11) 3
O9 Cd4 2.227(7) .
O10 Cd4 2.201(8) .
O11 Cd5 2.278(3) .
O11 Cd4 2.498(3) .
O12 Cd7 2.271(4) .
O12 Cd4 2.331(4) .
O13 Cd5 2.277(3) .
O13 Cd6 2.491(4) 14_444
O14 C14 1.261(6) 15_454
O14 Cd6 2.297(5) .
O17 Cd6 2.510(7) .
O18 Cd7 2.250(5) .
O18 Cd6 2.272(5) .
O19 Cd4 2.1571(11) 2
O19 Cd4 2.1571(11) .
O19 Cd4 2.1571(11) 3
O19 H19 0.9800 .
O20 Cd6 2.217(3) .
O20 Cd6 2.217(3) 2_565
O20 Cd6 2.217(3) 3_455
O20 H20 0.9800 .
O21 Cd7 2.288(7) .
O23 Cd7 2.280(4) .
Cd1 O1 2.295(3) 11
Cd1 O1 2.295(3) 12
Cd1 O1 2.295(3) 10
Cd1 O1 2.295(3) 2
Cd1 O1 2.295(3) 3
Cd2 O3 2.223(4) 2
Cd3 O7 2.266(4) 2
Cd3 O7 2.266(4) 3
Cd3 O5 2.274(4) 2
Cd3 O5 2.274(4) 3
Cd5 O13 2.277(3) 3
Cd5 O13 2.277(3) 2
Cd5 O11 2.278(3) 2
Cd5 O11 2.278(3) 3
Cd6 O16 2.330(5) .
Cd6 O16B 2.340(16) 3_455
Cd6 O16 2.365(5) 3_455
Cd6 O15B 2.485(12) .
Cd6 O13 2.491(4) 15_454
Cd6 C14 2.759(6) 15_454
Cd7 O15B 2.203(13) .
Cd7 O22 2.226(6) .
Cd7 O15 2.268(5) .
Cd7 O22B 2.341(11) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
O16 Cd6 2.365(5) 2_565
O16B Cd6 2.340(16) 2_565
C15B H15D 0.9600 .
C15B H15E 0.9600 .
C15B H15F 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 C2 O1 Cd1 -161.7(3) . .
C1 C2 O1 Cd1 20.1(7) . .
Cd2 C2 O1 Cd1 -168.2(4) . .
O2 C2 O1 Cd2 6.5(5) . .
C1 C2 O1 Cd2 -171.7(5) . .
O1 C2 O2 Cd2 -7.2(5) . .
C1 C2 O2 Cd2 171.0(4) . .
O4 C4 O3 Cd2 -175.2(4) . 3
C3 C4 O3 Cd2 4.5(7) . 3
Cd2 C4 O3 Cd2 -178.7(4) . 3
O4 C4 O3 Cd2 3.5(5) . .
C3 C4 O3 Cd2 -176.8(4) . .
O3 C4 O4 Cd2 -3.4(5) . .
C3 C4 O4 Cd2 176.8(5) . .
O6 C6 O5 Cd3 164.6(4) . .
C5 C6 O5 Cd3 -18.0(9) . .
O6 C6 O5 Cd2 -3.5(6) . .
C5 C6 O5 Cd2 173.9(6) . .
O5 C6 O6 Cd2 3.9(6) . .
C5 C6 O6 Cd2 -173.6(5) . .
O8 C8 O7 Cd3 -164.2(6) . .
C7 C8 O7 Cd3 18.2(13) . .
O7 C8 O8 Cd4 -7.9(10) . .
C7 C8 O8 Cd4 169.8(7) . .
O9 C10 O10 Cd4 -33.8(17) 2 .
C9 C10 O10 Cd4 143.4(11) . .
O12 C12 O11 Cd5 172.2(4) . .
C11 C12 O11 Cd5 -8.5(8) . .
O12 C12 O11 Cd4 -0.8(5) . .
C11 C12 O11 Cd4 178.5(5) . .
O11 C12 O12 Cd7 177.5(4) . .
C11 C12 O12 Cd7 -1.8(9) . .
O11 C12 O12 Cd4 0.8(6) . .
C11 C12 O12 Cd4 -178.5(4) . .
O14 C14 O13 Cd5 176.6(3) 14_444 .
C13 C14 O13 Cd5 -3.8(8) . .
Cd6 C14 O13 Cd5 177.7(5) 14_444 .
O14 C14 O13 Cd6 -1.0(5) 14_444 14_444
C13 C14 O13 Cd6 178.5(5) . 14_444
O18 C18 O17 Cd6 -0.4(11) . .
C17 C18 O17 Cd6 176.2(10) . .
O17 C18 O18 Cd7 169.9(10) . .
C17 C18 O18 Cd7 -7(2) . .
O17 C18 O18 Cd6 0.4(12) . .
C17 C18 O18 Cd6 -176.1(10) . .
C2 O1 Cd1 O1 -66.3(5) . 11
Cd2 O1 Cd1 O1 130.46(15) . 11
C2 O1 Cd1 O1 26.5(5) . 12
Cd2 O1 Cd1 O1 -136.78(16) . 12
C2 O1 Cd1 O1 162(81) . 10
Cd2 O1 Cd1 O1 -1(81) . 10
C2 O1 Cd1 O1 113.7(5) . 2
Cd2 O1 Cd1 O1 -49.54(15) . 2
C2 O1 Cd1 O1 -153.5(5) . 3
Cd2 O1 Cd1 O1 43.22(16) . 3
C6 O6 Cd2 O3 -73.3(4) . 2
C6 O6 Cd2 O2 -173.0(4) . .
C6 O6 Cd2 O3 42.4(4) . .
C6 O6 Cd2 O4 92.2(4) . .
C6 O6 Cd2 O1 -163.4(3) . .
C6 O6 Cd2 O5 -2.1(3) . .
C6 O6 Cd2 C4 69.8(4) . .
C6 O6 Cd2 C2 -171.7(3) . .
C2 O2 Cd2 O3 77.4(3) . 2
C2 O2 Cd2 O6 177.4(3) . .
C2 O2 Cd2 O3 -39.6(4) . .
C2 O2 Cd2 O4 -87.8(3) . .
C2 O2 Cd2 O1 3.9(3) . .
C2 O2 Cd2 O5 164.3(3) . .
C2 O2 Cd2 C4 -67.9(3) . .
C4 O3 Cd2 O3 179.0(2) . 2
Cd2 O3 Cd2 O3 -2.4(3) 3 2
C4 O3 Cd2 O6 65.7(3) . .
Cd2 O3 Cd2 O6 -115.7(2) 3 .
C4 O3 Cd2 O2 -66.5(3) . .
Cd2 O3 Cd2 O2 112.1(2) 3 .
C4 O3 Cd2 O4 -2.0(3) . .
Cd2 O3 Cd2 O4 176.6(3) 3 .
C4 O3 Cd2 O1 -100.5(3) . .
Cd2 O3 Cd2 O1 78.1(2) 3 .
C4 O3 Cd2 O5 100.3(3) . .
Cd2 O3 Cd2 O5 -81.1(2) 3 .
Cd2 O3 Cd2 C4 178.6(4) 3 .
C4 O3 Cd2 C2 -84.0(3) . .
Cd2 O3 Cd2 C2 94.6(2) 3 .
C4 O4 Cd2 O3 4.6(6) . 2
C4 O4 Cd2 O6 -129.1(3) . .
C4 O4 Cd2 O2 137.0(3) . .
C4 O4 Cd2 O3 2.0(3) . .
C4 O4 Cd2 O1 82.9(3) . .
C4 O4 Cd2 O5 -75.4(3) . .
C4 O4 Cd2 C2 110.2(3) . .
C2 O1 Cd2 O3 -110.9(3) . 2
Cd1 O1 Cd2 O3 57.6(2) . 2
C2 O1 Cd2 O6 -15.7(4) . .
Cd1 O1 Cd2 O6 152.8(2) . .
C2 O1 Cd2 O2 -3.8(3) . .
Cd1 O1 Cd2 O2 164.7(3) . .
C2 O1 Cd2 O3 143.5(3) . .
Cd1 O1 Cd2 O3 -47.9(2) . .
C2 O1 Cd2 O4 88.8(3) . .
Cd1 O1 Cd2 O4 -102.6(2) . .
C2 O1 Cd2 O5 -156.3(3) . .
Cd1 O1 Cd2 O5 12.2(4) . .
C2 O1 Cd2 C4 115.9(3) . .
Cd1 O1 Cd2 C4 -75.6(2) . .
Cd1 O1 Cd2 C2 168.5(4) . .
C6 O5 Cd2 O3 111.0(4) . 2
Cd3 O5 Cd2 O3 -57.3(3) . 2
C6 O5 Cd2 O6 2.1(3) . .
Cd3 O5 Cd2 O6 -166.2(4) . .
C6 O5 Cd2 O2 18.4(5) . .
Cd3 O5 Cd2 O2 -149.8(2) . .
C6 O5 Cd2 O3 -143.0(4) . .
Cd3 O5 Cd2 O3 48.8(3) . .
C6 O5 Cd2 O4 -89.0(4) . .
Cd3 O5 Cd2 O4 102.8(3) . .
C6 O5 Cd2 O1 156.6(3) . .
Cd3 O5 Cd2 O1 -11.7(5) . .
C6 O5 Cd2 C4 -115.3(4) . .
Cd3 O5 Cd2 C4 76.5(3) . .
C6 O5 Cd2 C2 59.5(8) . .
Cd3 O5 Cd2 C2 -108.8(7) . .
O4 C4 Cd2 O3 -177.8(3) . 2
O3 C4 Cd2 O3 -1.4(3) . 2
C3 C4 Cd2 O3 59(7) . 2
O4 C4 Cd2 O6 55.9(4) . .
O3 C4 Cd2 O6 -127.6(3) . .
C3 C4 Cd2 O6 -67(7) . .
O4 C4 Cd2 O2 -48.0(4) . .
O3 C4 Cd2 O2 128.5(3) . .
C3 C4 Cd2 O2 -171(7) . .
O4 C4 Cd2 O3 -176.5(5) . .
C3 C4 Cd2 O3 60(7) . .
O3 C4 Cd2 O4 176.5(5) . .
C3 C4 Cd2 O4 -123(7) . .
O4 C4 Cd2 O1 -98.2(3) . .
O3 C4 Cd2 O1 78.3(3) . .
C3 C4 Cd2 O1 139(7) . .
O4 C4 Cd2 O5 105.8(3) . .
O3 C4 Cd2 O5 -77.7(3) . .
C3 C4 Cd2 O5 -17(7) . .
O4 C4 Cd2 C2 -73.2(3) . .
O3 C4 Cd2 C2 103.3(3) . .
C3 C4 Cd2 C2 164(7) . .
O2 C2 Cd2 O3 -105.3(3) . 2
O1 C2 Cd2 O3 67.8(3) . 2
C1 C2 Cd2 O3 -158(2) . 2
O2 C2 Cd2 O6 -3.0(4) . .
O1 C2 Cd2 O6 170.2(3) . .
C1 C2 Cd2 O6 -55(2) . .
O1 C2 Cd2 O2 173.1(5) . .
C1 C2 Cd2 O2 -52(2) . .
O2 C2 Cd2 O3 148.7(3) . .
O1 C2 Cd2 O3 -38.2(3) . .
C1 C2 Cd2 O3 96(2) . .
O2 C2 Cd2 O4 94.0(3) . .
O1 C2 Cd2 O4 -92.9(3) . .
C1 C2 Cd2 O4 42(2) . .
O2 C2 Cd2 O1 -173.1(5) . .
C1 C2 Cd2 O1 134(2) . .
O2 C2 Cd2 O5 -54.6(8) . .
O1 C2 Cd2 O5 118.5(7) . .
C1 C2 Cd2 O5 -107(2) . .
O2 C2 Cd2 C4 120.0(3) . .
O1 C2 Cd2 C4 -66.9(3) . .
C1 C2 Cd2 C4 68(2) . .
C8 O7 Cd3 O7 124.7(8) . 2
C8 O7 Cd3 O7 -150.6(8) . 3
C8 O7 Cd3 O5 -61.7(7) . .
C8 O7 Cd3 O5 30.6(7) . 2
C8 O7 Cd3 O5 135.3(12) . 3
C6 O5 Cd3 O7 49.1(15) . 2
Cd2 O5 Cd3 O7 -148.1(11) . 2
C6 O5 Cd3 O7 -24.4(6) . .
Cd2 O5 Cd3 O7 138.4(3) . .
C6 O5 Cd3 O7 59.7(6) . 3
Cd2 O5 Cd3 O7 -137.4(3) . 3
C6 O5 Cd3 O5 -113.9(6) . 2
Cd2 O5 Cd3 O5 48.98(18) . 2
C6 O5 Cd3 O5 153.7(6) . 3
Cd2 O5 Cd3 O5 -43.51(19) . 3
Cd4 O19 Cd4 O10 11.0(4) 2 .
Cd4 O19 Cd4 O10 160.0(3) 3 .
Cd4 O19 Cd4 O9 -176.1(3) 2 .
Cd4 O19 Cd4 O9 -27.1(4) 3 .
Cd4 O19 Cd4 O8 95.8(4) 2 .
Cd4 O19 Cd4 O8 -115.1(4) 3 .
Cd4 O19 Cd4 O12 -81.1(3) 2 .
Cd4 O19 Cd4 O12 67.9(4) 3 .
Cd4 O19 Cd4 O11 -78.2(3) 2 .
Cd4 O19 Cd4 O11 70.8(3) 3 .
C10 O10 Cd4 O19 27.6(13) . .
C10 O10 Cd4 O9 -129.7(12) . .
C10 O10 Cd4 O8 -93.6(13) . .
C10 O10 Cd4 O12 172.6(13) . .
C10 O10 Cd4 O11 119.3(13) . .
C10 O9 Cd4 O19 31.0(7) 3 .
C10 O9 Cd4 O10 -171.9(8) 3 .
C10 O9 Cd4 O8 151.9(7) 3 .
C10 O9 Cd4 O12 -113.9(7) 3 .
C10 O9 Cd4 O11 -62.2(7) 3 .
C8 O8 Cd4 O19 16.9(8) . .
C8 O8 Cd4 O10 109.2(7) . .
C8 O8 Cd4 O9 -81.5(7) . .
C8 O8 Cd4 O12 -164.9(7) . .
C8 O8 Cd4 O11 -173.9(5) . .
C12 O12 Cd4 O19 3.2(5) . .
Cd7 O12 Cd4 O19 -173.90(9) . .
C12 O12 Cd4 O10 -91.9(5) . .
Cd7 O12 Cd4 O10 91.0(4) . .
C12 O12 Cd4 O9 103.5(4) . .
Cd7 O12 Cd4 O9 -73.6(4) . .
C12 O12 Cd4 O8 -174.2(4) . .
Cd7 O12 Cd4 O8 8.7(4) . .
C12 O12 Cd4 O11 -0.5(3) . .
Cd7 O12 Cd4 O11 -177.6(4) . .
C12 O11 Cd4 O19 -177.4(3) . .
Cd5 O11 Cd4 O19 9.4(2) . .
C12 O11 Cd4 O10 86.7(4) . .
Cd5 O11 Cd4 O10 -86.5(3) . .
C12 O11 Cd4 O9 -76.2(4) . .
Cd5 O11 Cd4 O9 110.7(3) . .
C12 O11 Cd4 O8 11.7(6) . .
Cd5 O11 Cd4 O8 -161.5(4) . .
C12 O11 Cd4 O12 0.5(3) . .
Cd5 O11 Cd4 O12 -172.7(3) . .
C14 O13 Cd5 O13 -131.6(6) . 3
Cd6 O13 Cd5 O13 45.15(15) 14_444 3
C14 O13 Cd5 O13 140.3(5) . 2
Cd6 O13 Cd5 O13 -42.88(15) 14_444 2
C14 O13 Cd5 O11 47.7(5) . 2
Cd6 O13 Cd5 O11 -135.5(2) 14_444 2
C14 O13 Cd5 O11 35(12) . 3
Cd6 O13 Cd5 O11 -149(12) 14_444 3
C14 O13 Cd5 O11 -39.5(5) . .
Cd6 O13 Cd5 O11 137.3(2) 14_444 .
C12 O11 Cd5 O13 -40.6(5) . .
Cd4 O11 Cd5 O13 129.7(2) . .
C12 O11 Cd5 O13 47.5(5) . 3
Cd4 O11 Cd5 O13 -142.3(2) . 3
C12 O11 Cd5 O13 153(11) . 2
Cd4 O11 Cd5 O13 -37(11) . 2
C12 O11 Cd5 O11 -132.7(5) . 2
Cd4 O11 Cd5 O11 37.57(16) . 2
C12 O11 Cd5 O11 140.1(5) . 3
Cd4 O11 Cd5 O11 -49.67(14) . 3
Cd6 O20 Cd6 O18 98.7(4) 2_565 .
Cd6 O20 Cd6 O18 -135.8(3) 3_455 .
Cd6 O20 Cd6 O14 -72.2(3) 2_565 .
Cd6 O20 Cd6 O14 53.3(4) 3_455 .
Cd6 O20 Cd6 O16 14.3(3) 2_565 .
Cd6 O20 Cd6 O16 139.8(4) 3_455 .
Cd6 O20 Cd6 O16B -141.6(6) 2_565 3_455
Cd6 O20 Cd6 O16B -16.1(6) 3_455 3_455
Cd6 O20 Cd6 O16 -139.7(4) 2_565 3_455
Cd6 O20 Cd6 O16 -14.2(3) 3_455 3_455
Cd6 O20 Cd6 O15B 35.9(5) 2_565 .
Cd6 O20 Cd6 O15B 161.4(4) 3_455 .
Cd6 O20 Cd6 O13 -63.5(3) 2_565 15_454
Cd6 O20 Cd6 O13 62.0(3) 3_455 15_454
Cd6 O20 Cd6 O17 139.1(4) 2_565 .
Cd6 O20 Cd6 O17 -95.4(4) 3_455 .
Cd6 O20 Cd6 C14 -65.8(3) 2_565 15_454
Cd6 O20 Cd6 C14 59.7(3) 3_455 15_454
C18 O18 Cd6 O20 55.6(8) . .
Cd7 O18 Cd6 O20 -116.8(4) . .
C18 O18 Cd6 O14 -128.4(7) . .
Cd7 O18 Cd6 O14 59.3(4) . .
C18 O18 Cd6 O16 126.7(7) . .
Cd7 O18 Cd6 O16 -45.7(4) . .
C18 O18 Cd6 O16B -54.0(9) . 3_455
Cd7 O18 Cd6 O16B 133.6(6) . 3_455
C18 O18 Cd6 O16 -29.2(8) . 3_455
Cd7 O18 Cd6 O16 158.4(3) . 3_455
C18 O18 Cd6 O15B 149.1(9) . .
Cd7 O18 Cd6 O15B -23.3(5) . .
C18 O18 Cd6 O13 -152.0(6) . 15_454
Cd7 O18 Cd6 O13 35.6(7) . 15_454
C18 O18 Cd6 O17 -0.2(7) . .
Cd7 O18 Cd6 O17 -172.6(7) . .
C18 O18 Cd6 C14 -137.9(7) . 15_454
Cd7 O18 Cd6 C14 49.7(5) . 15_454
C14 O14 Cd6 O20 11.2(5) 15_454 .
C14 O14 Cd6 O18 -160.6(4) 15_454 .
C14 O14 Cd6 O16 -67.6(3) 15_454 .
C14 O14 Cd6 O16B 84.9(7) 15_454 3_455
C14 O14 Cd6 O16 73.0(3) 15_454 3_455
C14 O14 Cd6 O15B -101.8(4) 15_454 .
C14 O14 Cd6 O13 0.6(3) 15_454 15_454
C14 O14 Cd6 O17 155.4(4) 15_454 .
C18 O17 Cd6 O20 -131.4(8) . .
C18 O17 Cd6 O18 0.2(7) . .
C18 O17 Cd6 O14 63.4(9) . .
C18 O17 Cd6 O16 -67.0(9) . .
C18 O17 Cd6 O16B 131.6(10) . 3_455
C18 O17 Cd6 O16 156.8(8) . 3_455
C18 O17 Cd6 O15B -26.6(9) . .
C18 O17 Cd6 O13 127.0(7) . 15_454
C18 O17 Cd6 C14 81.1(9) . 15_454
C18 O18 Cd7 O15B -143.2(14) . .
Cd6 O18 Cd7 O15B 25.2(5) . .
C18 O18 Cd7 O22 23.5(13) . .
Cd6 O18 Cd7 O22 -168.1(4) . .
C18 O18 Cd7 O15 -149.6(13) . .
Cd6 O18 Cd7 O15 18.8(4) . .
C18 O18 Cd7 O12 -84(3) . .
Cd6 O18 Cd7 O12 85(3) . .
C18 O18 Cd7 O23 126.1(13) . .
Cd6 O18 Cd7 O23 -65.5(4) . .
C18 O18 Cd7 O21 -59.2(13) . .
Cd6 O18 Cd7 O21 109.2(5) . .
C18 O18 Cd7 O22B 44.3(14) . .
Cd6 O18 Cd7 O22B -147.3(5) . .
C12 O12 Cd7 O15B -48.8(7) . .
Cd4 O12 Cd7 O15B 127.1(4) . .
C12 O12 Cd7 O22 146.0(6) . .
Cd4 O12 Cd7 O22 -38.2(3) . .
C12 O12 Cd7 O18 -107(3) . .
Cd4 O12 Cd7 O18 69(3) . .
C12 O12 Cd7 O15 -40.9(6) . .
Cd4 O12 Cd7 O15 135.0(3) . .
C12 O12 Cd7 O23 43.4(6) . .
Cd4 O12 Cd7 O23 -140.8(3) . .
C12 O12 Cd7 O21 -131.4(6) . .
Cd4 O12 Cd7 O21 44.5(3) . .
C12 O12 Cd7 O22B 124.2(7) . .
Cd4 O12 Cd7 O22B -59.9(5) . .
O16B C16 O15 Cd7 -135(3) . .
O15B C16 O15 Cd7 -41.0(9) . .
O16 C16 O15 Cd7 -78.2(8) . .
C15 C16 O15 Cd7 113.6(7) . .
C15B C16 O15 Cd7 85.7(16) . .
O15B Cd7 O15 C16 38.8(9) . .
O22 Cd7 O15 C16 -36(2) . .
O18 Cd7 O15 C16 52.3(6) . .
O12 Cd7 O15 C16 -124.3(6) . .
O23 Cd7 O15 C16 141.8(6) . .
O21 Cd7 O15 C16 -41.3(6) . .
O22B Cd7 O15 C16 -162.3(8) . .
O16B C16 O16 Cd6 171.3(16) . .
O15B C16 O16 Cd6 -11.1(8) . .
O15 C16 O16 Cd6 15.1(8) . .
C15 C16 O16 Cd6 -176.9(6) . .
C15B C16 O16 Cd6 -132(3) . .
O16B C16 O16 Cd6 -24.8(15) . 2_565
O15B C16 O16 Cd6 152.8(8) . 2_565
O15 C16 O16 Cd6 179.0(5) . 2_565
C15 C16 O16 Cd6 -13.0(10) . 2_565
C15B C16 O16 Cd6 32(3) . 2_565
O20 Cd6 O16 C16 155.4(6) . .
O18 Cd6 O16 C16 38.9(5) . .
O14 Cd6 O16 C16 -51.2(5) . .
O16B Cd6 O16 C16 -139.6(10) 3_455 .
O16 Cd6 O16 C16 -168.9(3) 3_455 .
O15B Cd6 O16 C16 8.5(6) . .
O13 Cd6 O16 C16 -100.6(5) 15_454 .
O17 Cd6 O16 C16 84.8(5) . .
C14 Cd6 O16 C16 -76.0(5) 15_454 .
O20 Cd6 O16 Cd6 -12.8(3) . 2_565
O18 Cd6 O16 Cd6 -129.3(2) . 2_565
O14 Cd6 O16 Cd6 140.70(17) . 2_565
O16B Cd6 O16 Cd6 52.2(11) 3_455 2_565
O16 Cd6 O16 Cd6 23.0(5) 3_455 2_565
O15B Cd6 O16 Cd6 -159.6(6) . 2_565
O13 Cd6 O16 Cd6 91.25(19) 15_454 2_565
O17 Cd6 O16 Cd6 -83.3(3) . 2_565
C14 Cd6 O16 Cd6 115.87(19) 15_454 2_565
O16B C16 O15B Cd7 -160.7(17) . .
O15 C16 O15B Cd7 48.1(10) . .
O16 C16 O15B Cd7 -163.0(12) . .
C15 C16 O15B Cd7 -12(3) . .
C15B C16 O15B Cd7 -11(2) . .
O16B C16 O15B Cd6 12(2) . .
O15 C16 O15B Cd6 -139.3(12) . .
O16 C16 O15B Cd6 9.5(7) . .
C15 C16 O15B Cd6 160.2(15) . .
C15B C16 O15B Cd6 161.3(16) . .
O22 Cd7 O15B C16 121.7(12) . .
O18 Cd7 O15B C16 151.0(15) . .
O15 Cd7 O15B C16 -44.1(10) . .
O12 Cd7 O15B C16 -25.4(14) . .
O23 Cd7 O15B C16 -119.9(13) . .
O21 Cd7 O15B C16 55.1(13) . .
O22B Cd7 O15B C16 -157(3) . .
O22 Cd7 O15B Cd6 -50.9(10) . .
O18 Cd7 O15B Cd6 -21.7(4) . .
O15 Cd7 O15B Cd6 143.3(12) . .
O12 Cd7 O15B Cd6 161.9(3) . .
O23 Cd7 O15B Cd6 67.4(5) . .
O21 Cd7 O15B Cd6 -117.6(5) . .
O22B Cd7 O15B Cd6 30(4) . .
O20 Cd6 O15B C16 -40.6(10) . .
O18 Cd6 O15B C16 -151.9(10) . .
O14 Cd6 O15B C16 114.9(9) . .
O16 Cd6 O15B C16 -7.9(6) . .
O16B Cd6 O15B C16 132.6(17) 3_455 .
O16 Cd6 O15B C16 13(4) 3_455 .
O13 Cd6 O15B C16 62.2(9) 15_454 .
O17 Cd6 O15B C16 -127.7(9) . .
C14 Cd6 O15B C16 88.6(9) 15_454 .
O20 Cd6 O15B Cd7 133.8(5) . .
O18 Cd6 O15B Cd7 22.5(4) . .
O14 Cd6 O15B Cd7 -70.7(5) . .
O16 Cd6 O15B Cd7 166.5(9) . .
O16B Cd6 O15B Cd7 -53.0(19) 3_455 .
O16 Cd6 O15B Cd7 -173(3) 3_455 .
O13 Cd6 O15B Cd7 -123.4(5) 15_454 .
O17 Cd6 O15B Cd7 46.7(6) . .
C14 Cd6 O15B Cd7 -97.0(5) 15_454 .
O15B C16 O16B Cd6 29(4) . 2_565
O15 C16 O16B Cd6 103(3) . 2_565
O16 C16 O16B Cd6 32(2) . 2_565
C15 C16 O16B Cd6 -137(3) . 2_565
C15B C16 O16B Cd6 -121(3) . 2_565
