#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:36:37 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180441 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/10/7211022.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_7211022
loop_
_publ_author_name
'Chen, Sheng-Chun'
'Zhang, Zhi-Hui'
'Huang, Kun-Lin'
'Luo, Hai-Kun'
'He, Ming-Yang'
'Du, Miao'
'Chen, Qun'
_publ_section_title
;
 Alkali-metal-regulated construction of superhydrophilic ZnII and CdII
 coordination polymers with perhalogenated terephthalate ligands
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9613
_journal_paper_doi               10.1039/c3ce41108g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C36 H38 Cd3 F12 N2 O20'
_chemical_formula_weight         1383.88
_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                66.930(2)
_cell_angle_beta                 74.602(3)
_cell_angle_gamma                65.787(2)
_cell_formula_units_Z            1
_cell_length_a                   9.8606(15)
_cell_length_b                   11.6737(17)
_cell_length_c                   12.5124(18)
_cell_measurement_reflns_used    5694
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.27
_cell_measurement_theta_min      2.22
_cell_volume                     1199.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6350
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.442
_exptl_absorpt_correction_T_max  0.7236
_exptl_absorpt_correction_T_min  0.7056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.981
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4072
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1068P)²+3.6364P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1167
_refine_ls_wR_factor_ref         0.1531
_reflns_number_gt                3740
_reflns_number_total             4072
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41108g.txt
_cod_data_source_block           1
_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 2.4.2 from
2011-04-26.

'_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.

'_refine_ls_hydrogen_treatment' value 'Constr' changed
to 'constr' 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               7211022
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 0.58309(4) 0.12632(3) 0.35238(3) 0.02763(18) Uani 1 1 d .
Cd2 Cd 1.0000 0.0000 0.0000 0.0366(2) Uani 1 2 d S
C1 C 0.6754(6) 0.3398(5) 0.3822(5) 0.0341(12) Uani 1 1 d .
C2 C 0.6512(6) 0.4778(5) 0.3809(4) 0.0288(11) Uani 1 1 d .
C3 C 0.5427(6) 0.5910(5) 0.3213(5) 0.0306(11) Uani 1 1 d .
C4 C 0.5290(6) 0.7169(5) 0.3141(5) 0.0324(11) Uani 1 1 d .
C5 C 0.6189(6) 0.7369(5) 0.3688(4) 0.0303(11) Uani 1 1 d .
C6 C 0.7221(7) 0.6239(6) 0.4309(5) 0.0371(12) Uani 1 1 d .
C7 C 0.7382(7) 0.4992(6) 0.4364(5) 0.0370(12) Uani 1 1 d .
C8 C 0.6031(6) 0.8752(5) 0.3617(5) 0.0346(12) Uani 1 1 d .
C9 C 0.7360(6) 0.2376(5) 0.0696(5) 0.0304(11) Uani 1 1 d .
C10 C 0.6125(6) 0.3739(5) 0.0348(4) 0.0258(10) Uani 1 1 d .
C11 C 0.4897(6) 0.3922(5) -0.0110(5) 0.0313(11) Uani 1 1 d .
C12 C 0.6201(6) 0.4848(5) 0.0453(5) 0.0299(11) Uani 1 1 d .
C13 C 0.2936(7) 0.3518(6) 0.2564(6) 0.0451(14) Uani 1 1 d .
H13 H 0.3281 0.4013 0.2787 0.054 Uiso 1 1 calc R
C14 C 0.0706(12) 0.5441(11) 0.2124(12) 0.115(5) Uani 1 1 d .
H14A H 0.1215 0.5800 0.2399 0.173 Uiso 1 1 calc R
H14B H -0.0231 0.5453 0.2609 0.173 Uiso 1 1 calc R
H14C H 0.0524 0.5968 0.1330 0.173 Uiso 1 1 calc R
C15 C 0.1039(11) 0.3356(11) 0.1819(10) 0.091(3) Uani 1 1 d .
H15A H 0.1817 0.2540 0.1770 0.136 Uiso 1 1 calc R
H15B H 0.0692 0.3875 0.1067 0.136 Uiso 1 1 calc R
H15C H 0.0221 0.3166 0.2385 0.136 Uiso 1 1 calc R
C16 C 0.8390(9) -0.0651(8) 0.5330(7) 0.063(2) Uani 1 1 d .
H16A H 0.7527 -0.0385 0.5872 0.095 Uiso 1 1 calc R
H16B H 0.9256 -0.0660 0.5551 0.095 Uiso 1 1 calc R
H16C H 0.8546 -0.1523 0.5341 0.095 Uiso 1 1 calc R
C17 C 0.9253(10) 0.1566(8) -0.2764(7) 0.073(3) Uani 1 1 d .
H17A H 0.8425 0.2149 -0.2404 0.109 Uiso 1 1 calc R
H17B H 0.8919 0.1435 -0.3348 0.109 Uiso 1 1 calc R
H17C H 1.0022 0.1953 -0.3126 0.109 Uiso 1 1 calc R
C18 C 1.278(2) 0.088(2) -0.0043(12) 0.162(9) Uani 1 1 d .
H18A H 1.3696 0.0956 -0.0519 0.242 Uiso 1 1 calc R
H18B H 1.2983 0.0046 0.0574 0.242 Uiso 1 1 calc R
H18C H 1.2313 0.1590 0.0289 0.242 Uiso 1 1 calc R
F1 F 0.4467(4) 0.5828(3) 0.2677(4) 0.0504(9) Uani 1 1 d .
F2 F 0.4242(5) 0.8228(3) 0.2520(4) 0.0600(11) Uani 1 1 d .
F3 F 0.8117(5) 0.6364(4) 0.4871(4) 0.0628(12) Uani 1 1 d .
F4 F 0.8433(5) 0.3963(4) 0.4993(4) 0.0668(13) Uani 1 1 d .
F5 F 0.4740(4) 0.2886(3) -0.0216(4) 0.0482(9) Uani 1 1 d .
F6 F 0.7389(4) 0.4725(4) 0.0886(4) 0.0503(9) Uani 1 1 d .
N1 N 0.1623(7) 0.4095(6) 0.2173(6) 0.0602(16) Uani 1 1 d .
O1 O 0.5665(4) 0.3183(4) 0.3710(4) 0.0382(9) Uani 1 1 d .
O2 O 0.8062(6) 0.2607(5) 0.3882(6) 0.0678(16) Uani 1 1 d .
O3 O 0.6453(7) 0.9484(5) 0.2680(4) 0.0630(15) Uani 1 1 d .
O4 O 0.5504(6) 0.9087(4) 0.4490(4) 0.0526(12) Uani 1 1 d .
O5 O 0.7441(4) 0.1773(4) 0.1761(3) 0.0399(10) Uani 1 1 d .
O6 O 0.8198(5) 0.2020(4) -0.0129(4) 0.0535(13) Uani 1 1 d .
O7 O 0.3741(5) 0.2347(5) 0.2653(4) 0.0483(11) Uani 1 1 d .
O8 O 0.8149(4) 0.0280(4) 0.4157(4) 0.0407(9) Uani 1 1 d .
H8 H 0.8160 0.0937 0.4244 0.061 Uiso 1 1 d R
O9 O 0.9842(5) 0.0312(5) -0.1891(4) 0.0538(12) Uani 1 1 d .
H9 H 1.0712 0.0179 -0.2203 0.081 Uiso 1 1 d R
O10 O 1.1836(6) 0.0964(6) -0.0715(5) 0.0639(14) Uani 1 1 d .
H10 H 1.1242 0.1725 -0.0815 0.096 Uiso 1 1 d 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'
F F 0.0171 0.0103 '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
O7 Cd1 O1 89.79(16) . .
O7 Cd1 O8 171.67(16) . .
O1 Cd1 O8 88.74(14) . .
O7 Cd1 O5 94.27(15) . .
O1 Cd1 O5 86.93(15) . .
O8 Cd1 O5 77.46(15) . .
O7 Cd1 O4 94.42(18) . 2_666
O1 Cd1 O4 83.27(14) . 2_666
O8 Cd1 O4 93.55(17) . 2_666
O5 Cd1 O4 166.86(16) . 2_666
O7 Cd1 O4 98.03(18) . 1_545
O1 Cd1 O4 147.30(15) . 1_545
O8 Cd1 O4 87.58(16) . 1_545
O5 Cd1 O4 123.74(14) . 1_545
O4 Cd1 O4 64.57(15) 2_666 1_545
O7 Cd1 O3 89.0(2) . 1_545
O1 Cd1 O3 160.85(16) . 1_545
O8 Cd1 O3 89.68(19) . 1_545
O5 Cd1 O3 74.11(16) . 1_545
O4 Cd1 O3 115.88(14) 2_666 1_545
O4 Cd1 O3 51.61(15) 1_545 1_545
O6 Cd2 O6 180.0(3) . 2_755
O6 Cd2 O9 90.18(16) . 2_755
O6 Cd2 O9 89.82(16) 2_755 2_755
O6 Cd2 O9 89.82(16) . .
O6 Cd2 O9 90.18(16) 2_755 .
O9 Cd2 O9 180.0(3) 2_755 .
O6 Cd2 O10 89.6(2) . 2_755
O6 Cd2 O10 90.4(2) 2_755 2_755
O9 Cd2 O10 88.1(2) 2_755 2_755
O9 Cd2 O10 91.9(2) . 2_755
O6 Cd2 O10 90.4(2) . .
O6 Cd2 O10 89.6(2) 2_755 .
O9 Cd2 O10 91.9(2) 2_755 .
O9 Cd2 O10 88.1(2) . .
O10 Cd2 O10 180.0(2) 2_755 .
O2 C1 O1 126.1(5) . .
O2 C1 C2 115.4(5) . .
O1 C1 C2 118.3(5) . .
C7 C2 C3 115.7(5) . .
C7 C2 C1 122.1(5) . .
C3 C2 C1 122.2(5) . .
F1 C3 C4 117.2(5) . .
F1 C3 C2 121.3(5) . .
C4 C3 C2 121.5(5) . .
F2 C4 C3 118.6(5) . .
F2 C4 C5 119.4(5) . .
C3 C4 C5 122.1(5) . .
C6 C5 C4 115.7(5) . .
C6 C5 C8 122.2(5) . .
C4 C5 C8 122.1(5) . .
F3 C6 C7 118.9(5) . .
F3 C6 C5 118.6(5) . .
C7 C6 C5 122.4(5) . .
F4 C7 C6 117.0(5) . .
F4 C7 C2 120.5(5) . .
C6 C7 C2 122.5(5) . .
O4 C8 O3 122.5(5) . .
O4 C8 C5 118.6(5) . .
O3 C8 C5 118.8(5) . .
O6 C9 O5 127.2(5) . .
O6 C9 C10 115.2(5) . .
O5 C9 C10 117.5(4) . .
C11 C10 C12 116.8(5) . .
C11 C10 C9 121.3(5) . .
C12 C10 C9 121.9(5) . .
F5 C11 C10 119.9(5) . .
F5 C11 C12 118.5(5) . 2_665
C10 C11 C12 121.7(5) . 2_665
F6 C12 C11 119.3(5) . 2_665
F6 C12 C10 119.1(5) . .
C11 C12 C10 121.6(5) 2_665 .
O7 C13 N1 123.7(7) . .
O7 C13 H13 118.2 . .
N1 C13 H13 118.2 . .
N1 C14 H14A 109.5 . .
N1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N1 C15 H15A 109.5 . .
N1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O8 C16 H16A 109.5 . .
O8 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O8 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O9 C17 H17A 109.5 . .
O9 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
O9 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O10 C18 H18A 109.5 . .
O10 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
O10 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C13 N1 C14 121.7(9) . .
C13 N1 C15 120.0(7) . .
C14 N1 C15 118.3(9) . .
C1 O1 Cd1 124.0(3) . .
C8 O3 Cd1 92.4(4) . 1_565
C8 O4 Cd1 150.7(4) . 2_666
C8 O4 Cd1 93.4(3) . 1_565
Cd1 O4 Cd1 115.43(15) 2_666 1_565
C9 O5 Cd1 139.1(4) . .
C9 O6 Cd2 126.2(4) . .
C13 O7 Cd1 124.3(5) . .
C16 O8 Cd1 121.9(4) . .
C16 O8 H8 99.4 . .
Cd1 O8 H8 96.2 . .
C17 O9 Cd2 125.9(5) . .
C17 O9 H9 94.5 . .
Cd2 O9 H9 103.6 . .
C18 O10 Cd2 124.0(7) . .
C18 O10 H10 102.2 . .
Cd2 O10 H10 94.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O7 2.238(4) .
Cd1 O1 2.278(4) .
Cd1 O8 2.295(4) .
Cd1 O5 2.372(4) .
Cd1 O4 2.446(4) 2_666
Cd1 O4 2.466(4) 1_545
Cd1 O3 2.476(5) 1_545
Cd2 O6 2.272(4) .
Cd2 O6 2.272(4) 2_755
Cd2 O9 2.286(5) 2_755
Cd2 O9 2.286(5) .
Cd2 O10 2.317(5) 2_755
Cd2 O10 2.317(5) .
C1 O2 1.242(8) .
C1 O1 1.251(7) .
C1 C2 1.523(7) .
C2 C7 1.380(8) .
C2 C3 1.392(8) .
C3 F1 1.347(6) .
C3 C4 1.388(7) .
C4 F2 1.351(6) .
C4 C5 1.388(8) .
C5 C6 1.376(8) .
C5 C8 1.526(7) .
C6 F3 1.346(7) .
C6 C7 1.374(8) .
C7 F4 1.345(7) .
C8 O4 1.218(7) .
C8 O3 1.236(7) .
C9 O6 1.234(7) .
C9 O5 1.247(7) .
C9 C10 1.534(6) .
C10 C11 1.379(8) .
C10 C12 1.384(7) .
C11 F5 1.340(6) .
C11 C12 1.381(7) 2_665
C12 F6 1.351(6) .
C12 C11 1.381(7) 2_665
C13 O7 1.245(8) .
C13 N1 1.315(9) .
C13 H13 0.9300 .
C14 N1 1.442(12) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 N1 1.455(13) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 O8 1.455(8) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 O9 1.436(8) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 O10 1.362(14) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
O3 Cd1 2.476(5) 1_565
O4 Cd1 2.446(4) 2_666
O4 Cd1 2.466(4) 1_565
O8 H8 0.8200 .
O9 H9 0.8199 .
O10 H10 0.8199 .
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 C1 C2 C7 -29.9(8) . .
O1 C1 C2 C7 153.7(6) . .
O2 C1 C2 C3 148.4(6) . .
O1 C1 C2 C3 -28.0(8) . .
C7 C2 C3 F1 -177.3(5) . .
C1 C2 C3 F1 4.4(8) . .
C7 C2 C3 C4 3.0(8) . .
C1 C2 C3 C4 -175.4(5) . .
F1 C3 C4 F2 -1.7(8) . .
C2 C3 C4 F2 178.1(5) . .
F1 C3 C4 C5 178.1(5) . .
C2 C3 C4 C5 -2.1(9) . .
F2 C4 C5 C6 179.6(5) . .
C3 C4 C5 C6 -0.2(8) . .
F2 C4 C5 C8 0.3(8) . .
C3 C4 C5 C8 -179.5(5) . .
C4 C5 C6 F3 -179.3(5) . .
C8 C5 C6 F3 0.0(8) . .
C4 C5 C6 C7 1.6(8) . .
C8 C5 C6 C7 -179.1(5) . .
F3 C6 C7 F4 0.5(9) . .
C5 C6 C7 F4 179.7(6) . .
F3 C6 C7 C2 -179.8(5) . .
C5 C6 C7 C2 -0.6(9) . .
C3 C2 C7 F4 178.0(5) . .
C1 C2 C7 F4 -3.6(9) . .
C3 C2 C7 C6 -1.7(8) . .
C1 C2 C7 C6 176.7(6) . .
C6 C5 C8 O4 -70.4(8) . .
C4 C5 C8 O4 108.9(7) . .
C6 C5 C8 O3 109.1(7) . .
C4 C5 C8 O3 -71.7(8) . .
O6 C9 C10 C11 73.7(7) . .
O5 C9 C10 C11 -108.5(6) . .
O6 C9 C10 C12 -104.9(6) . .
O5 C9 C10 C12 72.9(7) . .
C12 C10 C11 F5 -178.8(5) . .
C9 C10 C11 F5 2.5(8) . .
C12 C10 C11 C12 0.3(9) . 2_665
C9 C10 C11 C12 -178.4(5) . 2_665
C11 C10 C12 F6 -179.4(5) . .
C9 C10 C12 F6 -0.8(8) . .
C11 C10 C12 C11 -0.3(9) . 2_665
C9 C10 C12 C11 178.4(5) . 2_665
O7 C13 N1 C14 177.8(8) . .
O7 C13 N1 C15 0.1(11) . .
O2 C1 O1 Cd1 -2.3(9) . .
C2 C1 O1 Cd1 173.7(3) . .
O7 Cd1 O1 C1 -156.9(5) . .
O8 Cd1 O1 C1 14.9(5) . .
O5 Cd1 O1 C1 -62.6(5) . .
O4 Cd1 O1 C1 108.6(5) 2_666 .
O4 Cd1 O1 C1 98.5(5) 1_545 .
O3 Cd1 O1 C1 -70.5(8) 1_545 .
O4 C8 O3 Cd1 1.7(7) . 1_565
C5 C8 O3 Cd1 -177.8(5) . 1_565
O3 C8 O4 Cd1 167.8(7) . 2_666
C5 C8 O4 Cd1 -12.8(13) . 2_666
O3 C8 O4 Cd1 -1.7(7) . 1_565
C5 C8 O4 Cd1 177.8(5) . 1_565
O6 C9 O5 Cd1 -137.9(6) . .
C10 C9 O5 Cd1 44.5(8) . .
O7 Cd1 O5 C9 -0.7(6) . .
O1 Cd1 O5 C9 -90.3(6) . .
O8 Cd1 O5 C9 -179.7(6) . .
O4 Cd1 O5 C9 -132.0(7) 2_666 .
O4 Cd1 O5 C9 101.9(6) 1_545 .
O3 Cd1 O5 C9 87.0(6) 1_545 .
O5 C9 O6 Cd2 9.1(10) . .
C10 C9 O6 Cd2 -173.3(4) . .
O6 Cd2 O6 C9 157(13) 2_755 .
O9 Cd2 O6 C9 -24.1(6) 2_755 .
O9 Cd2 O6 C9 155.9(6) . .
O10 Cd2 O6 C9 64.1(6) 2_755 .
O10 Cd2 O6 C9 -115.9(6) . .
N1 C13 O7 Cd1 -171.8(5) . .
O1 Cd1 O7 C13 -7.1(5) . .
O8 Cd1 O7 C13 -87.0(12) . .
O5 Cd1 O7 C13 -94.0(5) . .
O4 Cd1 O7 C13 76.1(5) 2_666 .
O4 Cd1 O7 C13 141.0(5) 1_545 .
O3 Cd1 O7 C13 -168.0(5) 1_545 .
O7 Cd1 O8 C16 -174.8(11) . .
O1 Cd1 O8 C16 105.2(5) . .
O5 Cd1 O8 C16 -167.6(6) . .
O4 Cd1 O8 C16 22.1(5) 2_666 .
O4 Cd1 O8 C16 -42.3(5) 1_545 .
O3 Cd1 O8 C16 -93.8(5) 1_545 .
O6 Cd2 O9 C17 21.0(6) . .
O6 Cd2 O9 C17 -159.0(6) 2_755 .
O9 Cd2 O9 C17 144(55) 2_755 .
O10 Cd2 O9 C17 110.6(6) 2_755 .
O10 Cd2 O9 C17 -69.4(6) . .
O6 Cd2 O10 C18 105.4(12) . .
O6 Cd2 O10 C18 -74.6(12) 2_755 .
O9 Cd2 O10 C18 15.2(12) 2_755 .
O9 Cd2 O10 C18 -164.8(12) . .
O10 Cd2 O10 C18 -147(100) 2_755 .
