#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/22/7222264.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_7222264
loop_
_publ_author_name
'Li, Xiu-Yuan'
'Liu, Meng'
'Yue, Ke-Fen'
'Wu, Ya-Pan'
'He, Tian'
'Yan, Ni'
'Wang, Yao-Yu'
_publ_section_title
;
 A series of reaction-controlled coordination polymers constructed from
 bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses,
 structural diversities, properties
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              8273
_journal_paper_doi               10.1039/C5CE01423A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C28 H18 Cd2 F8 N4 O8'
_chemical_formula_weight         915.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-25 deposited with the CCDC.
2015-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.022(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.280(3)
_cell_length_b                   7.5025(12)
_cell_length_c                   20.478(3)
_cell_measurement_reflns_used    3682
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.63
_cell_measurement_theta_min      2.63
_cell_volume                     3077.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
_diffrn_measurement_method       'φ and ω 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  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14509
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    1.488
_exptl_absorpt_correction_T_max  0.7653
_exptl_absorpt_correction_T_min  0.6639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.337
_refine_diff_density_min         -2.137
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         5409
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_gt           0.0841
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+148.4109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2181
_refine_ls_wR_factor_ref         0.2236
_reflns_number_gt                4375
_reflns_number_total             5409
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01423a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7222263--7222269.cif.'
_cod_original_cell_volume        3077.2(9)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7222264
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.21926(5) 0.47766(15) 0.23835(5) 0.0311(3) Uani 1 1 d .
Cd2 Cd 0.74759(5) 1.02980(15) 0.28295(5) 0.0325(3) Uani 1 1 d .
N1 N 0.1262(6) 0.5886(17) 0.1826(6) 0.037(3) Uani 1 1 d .
N2 N 0.0491(7) 0.6898(18) 0.1055(7) 0.045(3) Uani 1 1 d .
N3 N 0.8067(6) 0.9331(18) 0.3755(6) 0.038(3) Uani 1 1 d .
N4 N 0.8867(7) 0.8314(18) 0.4511(7) 0.043(3) Uani 1 1 d .
O1 O 0.3343(5) 0.4567(15) 0.2806(6) 0.047(3) Uani 1 1 d .
O2 O 0.3024(5) 0.6982(14) 0.2266(5) 0.037(2) Uani 1 1 d .
O3 O 0.2430(7) 0.3291(18) 0.1457(5) 0.063(4) Uani 1 1 d .
O4 O 0.2017(7) 0.5736(17) 0.3358(6) 0.059(3) Uani 1 1 d .
O5 O 0.7804(5) 0.8199(13) 0.1947(5) 0.035(2) Uani 1 1 d .
O6 O 0.7132(5) 1.0463(15) 0.1728(5) 0.038(2) Uani 1 1 d .
O7 O 0.6460(6) 0.9453(19) 0.3023(6) 0.058(3) Uani 1 1 d .
O8 O 0.8394(6) 1.1937(17) 0.2531(7) 0.061(4) Uani 1 1 d .
F1 F 0.5345(5) 0.8005(18) 0.1554(5) 0.070(3) Uani 1 1 d .
F2 F 0.4080(4) 0.7017(16) 0.1470(5) 0.057(3) Uani 1 1 d .
F3 F 0.4395(5) 0.6052(13) 0.3777(5) 0.049(2) Uani 1 1 d .
F4 F 0.5663(4) 0.7006(14) 0.3855(5) 0.049(2) Uani 1 1 d .
F5 F 0.8553(5) 0.8727(17) 0.0915(5) 0.062(3) Uani 1 1 d .
F6 F 0.8485(5) 0.8221(18) -0.0372(5) 0.069(3) Uani 1 1 d .
F7 F 0.6140(5) 0.8381(18) -0.0635(4) 0.065(3) Uani 1 1 d .
F8 F 0.6205(4) 0.8936(15) 0.0652(4) 0.051(3) Uani 1 1 d .
C1 C 0.1655(9) 0.674(2) 0.0773(8) 0.050(4) Uani 1 1 d .
H1A H 0.1935 0.7724 0.0941 0.075 Uiso 1 1 calc R
H1B H 0.1437 0.7012 0.0334 0.075 Uiso 1 1 calc R
H1C H 0.1922 0.5690 0.0764 0.075 Uiso 1 1 calc R
C2 C 0.1133(8) 0.643(2) 0.1218(7) 0.036(3) Uani 1 1 d .
C3 C 0.0668(8) 0.598(2) 0.2082(8) 0.041(4) Uani 1 1 d .
H3 H 0.0605 0.5679 0.2508 0.049 Uiso 1 1 calc R
C4 C 0.0194(8) 0.660(2) 0.1589(9) 0.050(4) Uani 1 1 d .
H4 H -0.0254 0.6786 0.1616 0.060 Uiso 1 1 calc R
C5 C 0.0128(9) 0.735(2) 0.0404(9) 0.056(5) Uani 1 1 d .
H5A H 0.0439 0.7844 0.0136 0.067 Uiso 1 1 calc R
H5B H -0.0199 0.8266 0.0453 0.067 Uiso 1 1 calc R
C6 C -0.0222(9) 0.578(3) 0.0051(10) 0.060(5) Uani 1 1 d .
H6A H -0.0447 0.6167 -0.0378 0.072 Uiso 1 1 calc R
H6B H -0.0561 0.5365 0.0300 0.072 Uiso 1 1 calc R
C7 C 0.3466(7) 0.5912(19) 0.2579(7) 0.032(3) Uani 1 1 d .
C8 C 0.4195(7) 0.650(2) 0.2623(8) 0.034(3) Uani 1 1 d .
C9 C 0.4469(7) 0.7004(18) 0.2067(7) 0.032(3) Uani 1 1 d .
C10 C 0.5125(8) 0.751(3) 0.2107(8) 0.044(4) Uani 1 1 d .
C11 C 0.5551(6) 0.750(2) 0.2704(8) 0.037(4) Uani 1 1 d .
C12 C 0.5279(6) 0.6990(17) 0.3255(7) 0.026(3) Uani 1 1 d .
C13 C 0.4624(7) 0.648(2) 0.3211(7) 0.034(3) Uani 1 1 d .
C14 C 0.6267(7) 0.803(2) 0.2729(7) 0.036(4) Uani 1 1 d .
C15 C 0.9118(8) 0.830(3) 0.3346(9) 0.055(5) Uani 1 1 d .
H15A H 0.8863 0.8444 0.2913 0.082 Uiso 1 1 calc R
H15B H 0.9270 0.7085 0.3400 0.082 Uiso 1 1 calc R
H15C H 0.9496 0.9082 0.3396 0.082 Uiso 1 1 calc R
C16 C 0.8692(8) 0.872(2) 0.3857(8) 0.037(3) Uani 1 1 d .
C17 C 0.7850(9) 0.929(2) 0.4348(8) 0.045(4) Uani 1 1 d .
H17 H 0.7426 0.9624 0.4421 0.054 Uiso 1 1 calc R
C18 C 0.8342(9) 0.869(3) 0.4815(9) 0.057(5) Uani 1 1 d .
H18 H 0.8322 0.8554 0.5263 0.069 Uiso 1 1 calc R
C19 C 0.9517(9) 0.774(2) 0.4853(10) 0.059(5) Uani 1 1 d .
H19A H 0.9768 0.7214 0.4536 0.071 Uiso 1 1 calc R
H19B H 0.9454 0.6836 0.5175 0.071 Uiso 1 1 calc R
C20 C 0.9920(13) 0.928(3) 0.5204(14) 0.106(11) Uani 1 1 d .
H20A H 0.9673 0.9755 0.5533 0.127 Uiso 1 1 calc R
H20B H 1.0334 0.8794 0.5438 0.127 Uiso 1 1 calc R
C21 C 0.7412(7) 0.922(2) 0.1546(6) 0.032(3) Uani 1 1 d .
C22 C 0.7378(7) 0.8844(18) 0.0827(6) 0.028(3) Uani 1 1 d .
C23 C 0.6788(7) 0.879(2) 0.0408(7) 0.034(3) Uani 1 1 d .
C24 C 0.6739(7) 0.847(2) -0.0257(7) 0.037(4) Uani 1 1 d .
C25 C 0.7306(8) 0.826(2) -0.0547(7) 0.035(3) Uani 1 1 d .
C26 C 0.7905(8) 0.836(2) -0.0125(8) 0.041(4) Uani 1 1 d .
C27 C 0.7955(8) 0.864(2) 0.0530(7) 0.039(4) Uani 1 1 d .
C28 C 0.7277(8) 0.807(2) -0.1288(7) 0.039(4) Uani 1 1 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'
F F 0.0171 0.0103 '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
O4 Cd1 N1 95.7(5) . .
O4 Cd1 O2 87.1(4) . 2_545
N1 Cd1 O2 108.5(4) . 2_545
O4 Cd1 O3 169.7(5) . .
N1 Cd1 O3 91.6(5) . .
O2 Cd1 O3 83.7(4) 2_545 .
O4 Cd1 O1 88.8(5) . .
N1 Cd1 O1 158.2(4) . .
O2 Cd1 O1 92.9(4) 2_545 .
O3 Cd1 O1 87.0(5) . .
O4 Cd1 O2 94.6(4) . .
N1 Cd1 O2 104.2(4) . .
O2 Cd1 O2 146.9(2) 2_545 .
O3 Cd1 O2 90.6(4) . .
O1 Cd1 O2 54.1(4) . .
N3 Cd2 O7 98.4(5) . .
N3 Cd2 O6 156.9(4) . .
O7 Cd2 O6 92.5(4) . .
N3 Cd2 O5 104.9(4) . 2_655
O7 Cd2 O5 88.3(4) . 2_655
O6 Cd2 O5 95.7(4) . 2_655
N3 Cd2 O8 92.8(5) . .
O7 Cd2 O8 164.2(5) . .
O6 Cd2 O8 81.2(4) . .
O5 Cd2 O8 78.0(4) 2_655 .
N3 Cd2 O5 103.8(4) . .
O7 Cd2 O5 107.3(4) . .
O6 Cd2 O5 53.3(4) . .
O5 Cd2 O5 144.8(3) 2_655 .
O8 Cd2 O5 80.6(4) . .
C2 N1 C3 106.7(13) . .
C2 N1 Cd1 129.9(11) . .
C3 N1 Cd1 123.1(10) . .
C2 N2 C4 107.2(13) . .
C2 N2 C5 128.3(15) . .
C4 N2 C5 123.7(15) . .
C16 N3 C17 106.6(13) . .
C16 N3 Cd2 128.6(10) . .
C17 N3 Cd2 124.7(11) . .
C18 N4 C16 107.7(13) . .
C18 N4 C19 124.1(15) . .
C16 N4 C19 128.0(15) . .
C7 O1 Cd1 93.3(10) . .
C7 O2 Cd1 124.5(9) . 2
C7 O2 Cd1 88.1(8) . .
Cd1 O2 Cd1 115.4(4) 2 .
C28 O3 Cd1 141.7(11) 3_665 .
C28 O4 Cd1 131.6(11) 4_576 .
C21 O5 Cd2 122.4(9) . 2_645
C21 O5 Cd2 83.2(8) . .
Cd2 O5 Cd2 109.9(4) 2_645 .
C21 O6 Cd2 100.6(9) . .
C14 O7 Cd2 112.3(9) . .
C14 O8 Cd2 162.7(12) 2_655 .
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 . .
N1 C2 N2 111.3(13) . .
N1 C2 C1 124.7(14) . .
N2 C2 C1 123.5(14) . .
C4 C3 N1 107.0(15) . .
C4 C3 H3 126.5 . .
N1 C3 H3 126.5 . .
N2 C4 C3 107.7(15) . .
N2 C4 H4 126.1 . .
C3 C4 H4 126.1 . .
N2 C5 C6 112.8(15) . .
N2 C5 H5A 109.0 . .
C6 C5 H5A 109.0 . .
N2 C5 H5B 109.0 . .
C6 C5 H5B 109.0 . .
H5A C5 H5B 107.8 . .
C5 C6 C6 115.3(19) . 3_565
C5 C6 H6A 108.4 . .
C6 C6 H6A 108.4 3_565 .
C5 C6 H6B 108.4 . .
C6 C6 H6B 108.4 3_565 .
H6A C6 H6B 107.5 . .
O1 C7 O2 124.3(14) . .
O1 C7 C8 119.7(14) . .
O2 C7 C8 116.0(13) . .
C13 C8 C9 116.2(13) . .
C13 C8 C7 121.5(13) . .
C9 C8 C7 122.3(14) . .
F2 C9 C10 118.4(13) . .
F2 C9 C8 119.4(12) . .
C10 C9 C8 122.1(15) . .
F1 C10 C9 118.4(14) . .
F1 C10 C11 120.5(14) . .
C9 C10 C11 121.1(14) . .
C10 C11 C12 116.6(13) . .
C10 C11 C14 119.8(13) . .
C12 C11 C14 123.6(13) . .
F4 C12 C13 118.5(12) . .
F4 C12 C11 119.5(11) . .
C13 C12 C11 122.0(13) . .
F3 C13 C8 120.0(13) . .
F3 C13 C12 118.0(13) . .
C8 C13 C12 121.9(13) . .
O8 C14 O7 127.9(14) 2_645 .
O8 C14 C11 114.3(15) 2_645 .
O7 C14 C11 117.8(14) . .
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 . .
N3 C16 N4 109.0(13) . .
N3 C16 C15 127.2(14) . .
N4 C16 C15 123.2(14) . .
C18 C17 N3 109.6(17) . .
C18 C17 H17 125.2 . .
N3 C17 H17 125.2 . .
N4 C18 C17 107.0(16) . .
N4 C18 H18 126.5 . .
C17 C18 H18 126.5 . .
N4 C19 C20 112.5(17) . .
N4 C19 H19A 109.1 . .
C20 C19 H19A 109.1 . .
N4 C19 H19B 109.1 . .
C20 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
C20 C20 C19 117(3) 3_776 .
C20 C20 H20A 108.1 3_776 .
C19 C20 H20A 108.1 . .
C20 C20 H20B 108.1 3_776 .
C19 C20 H20B 108.1 . .
H20A C20 H20B 107.3 . .
O6 C21 O5 122.9(12) . .
O6 C21 C22 120.8(13) . .
O5 C21 C22 116.1(13) . .
C23 C22 C27 115.7(12) . .
C23 C22 C21 121.9(12) . .
C27 C22 C21 122.2(13) . .
F8 C23 C22 119.9(12) . .
F8 C23 C24 116.6(13) . .
C22 C23 C24 123.4(13) . .
F7 C24 C23 120.2(13) . .
F7 C24 C25 119.1(13) . .
C23 C24 C25 120.7(14) . .
C26 C25 C24 115.8(13) . .
C26 C25 C28 121.7(13) . .
C24 C25 C28 122.3(14) . .
C27 C26 F6 116.7(14) . .
C27 C26 C25 123.7(14) . .
F6 C26 C25 119.6(13) . .
F5 C27 C26 121.0(14) . .
F5 C27 C22 118.5(13) . .
C26 C27 C22 120.5(14) . .
O4 C28 O3 127.7(15) 4_675 3_665
O4 C28 C25 118.2(15) 4_675 .
O3 C28 C25 113.9(14) 3_665 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O4 2.202(12) .
Cd1 N1 2.209(12) .
Cd1 O2 2.281(10) 2_545
Cd1 O3 2.316(11) .
Cd1 O1 2.363(11) .
Cd1 O2 2.401(10) .
Cd2 N3 2.200(12) .
Cd2 O7 2.249(11) .
Cd2 O6 2.258(10) .
Cd2 O5 2.313(10) 2_655
Cd2 O8 2.390(11) .
Cd2 O5 2.562(10) .
N1 C2 1.299(18) .
N1 C3 1.389(19) .
N2 C2 1.34(2) .
N2 C4 1.35(2) .
N2 C5 1.46(2) .
N3 C16 1.331(19) .
N3 C17 1.355(19) .
N4 C18 1.35(2) .
N4 C16 1.366(19) .
N4 C19 1.46(2) .
O1 C7 1.155(18) .
O2 C7 1.295(17) .
O2 Cd1 2.281(10) 2
O3 C28 1.255(19) 3_665
O4 C28 1.220(19) 4_576
O5 C21 1.301(17) .
O5 Cd2 2.313(10) 2_645
O6 C21 1.180(18) .
O7 C14 1.26(2) .
O8 C14 1.241(19) 2_655
F1 C10 1.333(18) .
F2 C9 1.347(17) .
F3 C13 1.353(16) .
F4 C12 1.348(16) .
F5 C27 1.340(17) .
F6 C26 1.355(17) .
F7 C24 1.335(17) .
F8 C23 1.356(16) .
C1 C2 1.52(2) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C3 C4 1.36(2) .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 C6 1.51(3) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C6 1.50(4) 3_565
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.532(19) .
C8 C13 1.37(2) .
C8 C9 1.395(19) .
C9 C10 1.37(2) .
C10 C11 1.38(2) .
C11 C12 1.385(19) .
C11 C14 1.498(18) .
C12 C13 1.372(19) .
C14 O8 1.241(19) 2_645
C15 C16 1.49(2) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C17 C18 1.35(2) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.52(3) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C20 1.44(5) 3_776
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.491(17) .
C22 C23 1.36(2) .
C22 C27 1.41(2) .
C23 C24 1.372(19) .
C24 C25 1.38(2) .
C25 C26 1.38(2) .
C25 C28 1.516(19) .
C26 C27 1.35(2) .
C28 O4 1.220(19) 4_675
C28 O3 1.255(19) 3_665
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
O4 Cd1 N1 C2 150.8(14) . .
O2 Cd1 N1 C2 -120.4(13) 2_545 .
O3 Cd1 N1 C2 -36.5(14) . .
O1 Cd1 N1 C2 50(2) . .
O2 Cd1 N1 C2 54.6(14) . .
O4 Cd1 N1 C3 -34.8(12) . .
O2 Cd1 N1 C3 54.1(12) 2_545 .
O3 Cd1 N1 C3 138.0(12) . .
O1 Cd1 N1 C3 -135.9(12) . .
O2 Cd1 N1 C3 -131.0(11) . .
O7 Cd2 N3 C16 148.7(13) . .
O6 Cd2 N3 C16 31(2) . .
O5 Cd2 N3 C16 -120.8(13) 2_655 .
O8 Cd2 N3 C16 -42.5(14) . .
O5 Cd2 N3 C16 38.5(14) . .
O7 Cd2 N3 C17 -32.9(14) . .
O6 Cd2 N3 C17 -150.1(12) . .
O5 Cd2 N3 C17 57.6(13) 2_655 .
O8 Cd2 N3 C17 135.9(13) . .
O5 Cd2 N3 C17 -143.1(13) . .
O4 Cd1 O1 C7 -99.1(10) . .
N1 Cd1 O1 C7 3.4(18) . .
O2 Cd1 O1 C7 173.9(9) 2_545 .
O3 Cd1 O1 C7 90.4(10) . .
O2 Cd1 O1 C7 -2.5(8) . .
O4 Cd1 O2 C7 87.4(8) . .
N1 Cd1 O2 C7 -175.5(8) . .
O2 Cd1 O2 C7 -4.4(8) 2_545 .
O3 Cd1 O2 C7 -83.7(8) . .
O1 Cd1 O2 C7 2.2(8) . .
O4 Cd1 O2 Cd1 -40.3(5) . 2
N1 Cd1 O2 Cd1 56.7(5) . 2
O2 Cd1 O2 Cd1 -132.1(6) 2_545 2
O3 Cd1 O2 Cd1 148.6(5) . 2
O1 Cd1 O2 Cd1 -125.5(6) . 2
O4 Cd1 O3 C28 -16(4) . 3_665
N1 Cd1 O3 C28 -151(2) . 3_665
O2 Cd1 O3 C28 -43.0(19) 2_545 3_665
O1 Cd1 O3 C28 50(2) . 3_665
O2 Cd1 O3 C28 104(2) . 3_665
N1 Cd1 O4 C28 -107.0(16) . 4_576
O2 Cd1 O4 C28 144.7(16) 2_545 4_576
O3 Cd1 O4 C28 118(3) . 4_576
O1 Cd1 O4 C28 51.6(16) . 4_576
O2 Cd1 O4 C28 -2.2(16) . 4_576
N3 Cd2 O5 C21 -177.0(8) . .
O7 Cd2 O5 C21 79.5(8) . .
O6 Cd2 O5 C21 -0.4(7) . .
O5 Cd2 O5 C21 -33.3(8) 2_655 .
O8 Cd2 O5 C21 -86.4(8) . .
N3 Cd2 O5 Cd2 60.9(5) . 2_645
O7 Cd2 O5 Cd2 -42.6(5) . 2_645
O6 Cd2 O5 Cd2 -122.5(6) . 2_645
O5 Cd2 O5 Cd2 -155.4(5) 2_655 2_645
O8 Cd2 O5 Cd2 151.5(5) . 2_645
N3 Cd2 O6 C21 9.0(16) . .
O7 Cd2 O6 C21 -109.3(9) . .
O5 Cd2 O6 C21 162.1(9) 2_655 .
O8 Cd2 O6 C21 85.3(9) . .
O5 Cd2 O6 C21 0.5(8) . .
N3 Cd2 O7 C14 -100.2(11) . .
O6 Cd2 O7 C14 59.3(11) . .
O5 Cd2 O7 C14 154.9(11) 2_655 .
O8 Cd2 O7 C14 125.3(18) . .
O5 Cd2 O7 C14 7.1(12) . .
N3 Cd2 O8 C14 -159(4) . 2_655
O7 Cd2 O8 C14 -24(5) . 2_655
O6 Cd2 O8 C14 43(4) . 2_655
O5 Cd2 O8 C14 -55(4) 2_655 2_655
O5 Cd2 O8 C14 97(4) . 2_655
C3 N1 C2 N2 0.6(18) . .
Cd1 N1 C2 N2 175.7(10) . .
C3 N1 C2 C1 172.8(15) . .
Cd1 N1 C2 C1 -12(2) . .
C4 N2 C2 N1 -1.1(19) . .
C5 N2 C2 N1 -171.2(15) . .
C4 N2 C2 C1 -173.5(16) . .
C5 N2 C2 C1 16(3) . .
C2 N1 C3 C4 0.2(18) . .
Cd1 N1 C3 C4 -175.4(11) . .
C2 N2 C4 C3 1.2(19) . .
C5 N2 C4 C3 171.9(15) . .
N1 C3 C4 N2 -0.9(19) . .
C2 N2 C5 C6 93(2) . .
C4 N2 C5 C6 -75(2) . .
N2 C5 C6 C6 -58(3) . 3_565
Cd1 O1 C7 O2 4.5(16) . .
Cd1 O1 C7 C8 -173.8(11) . .
Cd1 O2 C7 O1 115.4(15) 2 .
Cd1 O2 C7 O1 -4.5(15) . .
Cd1 O2 C7 C8 -66.1(15) 2 .
Cd1 O2 C7 C8 174.0(11) . .
O1 C7 C8 C13 -50(2) . .
O2 C7 C8 C13 131.3(15) . .
O1 C7 C8 C9 126.9(16) . .
O2 C7 C8 C9 -51.6(19) . .
C13 C8 C9 F2 178.7(13) . .
C7 C8 C9 F2 1(2) . .
C13 C8 C9 C10 -2(2) . .
C7 C8 C9 C10 -179.2(14) . .
F2 C9 C10 F1 1(2) . .
C8 C9 C10 F1 -178.8(15) . .
F2 C9 C10 C11 -179.2(15) . .
C8 C9 C10 C11 1(3) . .
F1 C10 C11 C12 179.3(15) . .
C9 C10 C11 C12 -1(2) . .
F1 C10 C11 C14 -1(3) . .
C9 C10 C11 C14 178.7(15) . .
C10 C11 C12 F4 -178.1(14) . .
C14 C11 C12 F4 2(2) . .
C10 C11 C12 C13 1(2) . .
C14 C11 C12 C13 -178.5(15) . .
C9 C8 C13 F3 178.3(13) . .
C7 C8 C13 F3 -4(2) . .
C9 C8 C13 C12 2(2) . .
C7 C8 C13 C12 179.4(13) . .
F4 C12 C13 F3 1(2) . .
C11 C12 C13 F3 -178.0(13) . .
F4 C12 C13 C8 177.3(13) . .
C11 C12 C13 C8 -2(2) . .
Cd2 O7 C14 O8 15(2) . 2_645
Cd2 O7 C14 C11 -168.2(11) . .
C10 C11 C14 O8 -70(2) . 2_645
C12 C11 C14 O8 109.7(18) . 2_645
C10 C11 C14 O7 112.4(18) . .
C12 C11 C14 O7 -68(2) . .
C17 N3 C16 N4 -0.4(17) . .
Cd2 N3 C16 N4 178.3(10) . .
C17 N3 C16 C15 171.6(16) . .
Cd2 N3 C16 C15 -10(2) . .
C18 N4 C16 N3 -0.4(18) . .
C19 N4 C16 N3 -174.7(15) . .
C18 N4 C16 C15 -172.7(16) . .
C19 N4 C16 C15 13(3) . .
C16 N3 C17 C18 1.0(19) . .
Cd2 N3 C17 C18 -177.7(12) . .
C16 N4 C18 C17 1(2) . .
C19 N4 C18 C17 175.6(15) . .
N3 C17 C18 N4 -1(2) . .
C18 N4 C19 C20 -76(2) . .
C16 N4 C19 C20 97(2) . .
N4 C19 C20 C20 -61(4) . 3_776
Cd2 O6 C21 O5 -0.9(15) . .
Cd2 O6 C21 C22 -175.6(11) . .
Cd2 O5 C21 O6 110.0(14) 2_645 .
Cd2 O5 C21 O6 0.8(13) . .
Cd2 O5 C21 C22 -75.1(14) 2_645 .
Cd2 O5 C21 C22 175.7(12) . .
O6 C21 C22 C23 -50(2) . .
O5 C21 C22 C23 135.1(15) . .
O6 C21 C22 C27 125.3(16) . .
O5 C21 C22 C27 -50(2) . .
C27 C22 C23 F8 178.6(14) . .
C21 C22 C23 F8 -6(2) . .
C27 C22 C23 C24 3(2) . .
C21 C22 C23 C24 179.0(15) . .
F8 C23 C24 F7 2(2) . .
C22 C23 C24 F7 177.6(15) . .
F8 C23 C24 C25 -178.0(14) . .
C22 C23 C24 C25 -3(3) . .
F7 C24 C25 C26 -179.8(15) . .
C23 C24 C25 C26 1(2) . .
F7 C24 C25 C28 5(2) . .
C23 C24 C25 C28 -174.4(15) . .
C24 C25 C26 C27 1(3) . .
C28 C25 C26 C27 175.6(16) . .
C24 C25 C26 F6 -177.9(15) . .
C28 C25 C26 F6 -3(2) . .
F6 C26 C27 F5 -2(3) . .
C25 C26 C27 F5 179.7(16) . .
F6 C26 C27 C22 178.7(15) . .
C25 C26 C27 C22 0(3) . .
C23 C22 C27 F5 178.4(15) . .
C21 C22 C27 F5 3(2) . .
C23 C22 C27 C26 -2(2) . .
C21 C22 C27 C26 -177.7(15) . .
C26 C25 C28 O4 -116.7(18) . 4_675
C24 C25 C28 O4 58(2) . 4_675
C26 C25 C28 O3 59(2) . 3_665
C24 C25 C28 O3 -126.5(17) . 3_665
