#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:23:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/01/7210116.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_7210116
loop_
_publ_author_name
'Liu, Guang-Zhen'
'Li, Shi-Hui'
'Li, Xiao-Ling'
'Xin, Ling-Yun'
'Wang, Li-Ya'
_publ_section_title
;
 Three series of MOFs featuring various metal(ii)-carboxylate chains
 cross-linked by dipyridyl-typed coligands: synthesis, structure, and
 solvent-dependent luminescence
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4571
_journal_paper_doi               10.1039/c3ce40109j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C24 H15 Cd F3 N3 O4'
_chemical_formula_weight         578.79
_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                 105.057(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.750(4)
_cell_length_b                   11.660(2)
_cell_length_c                   20.045(4)
_cell_measurement_reflns_used    3197
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.05
_cell_measurement_theta_min      2.40
_cell_volume                     4683.3(15)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15454
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.40
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.992
_exptl_absorpt_correction_T_max  0.9248
_exptl_absorpt_correction_T_min  0.7618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.211
_refine_diff_density_min         -0.780
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4348
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0417P)²+13.9064P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.1026
_reflns_number_gt                3352
_reflns_number_total             4348
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40109j.txt
_cod_data_source_block           bbb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_cell_volume        4683.3(16)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7210116
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 0.251661(15) 0.35573(3) 0.179306(16) 0.02693(12) Uani 1 1 d .
F1 F 0.4112(2) 0.1957(4) 0.5378(3) 0.138(2) Uani 1 1 d .
F2 F 0.4954(2) 0.2293(3) 0.5044(2) 0.0909(13) Uani 1 1 d .
F3 F 0.4881(3) 0.3029(4) 0.5950(2) 0.142(3) Uani 1 1 d .
N1 N 0.34820(19) 0.2647(3) 0.1465(2) 0.0369(10) Uani 1 1 d .
N2 N 0.27047(19) 0.5074(3) 0.11043(19) 0.0332(9) Uani 1 1 d .
N3 N 0.64870(18) -0.0348(3) 0.1635(2) 0.0363(10) Uani 1 1 d .
O1 O 0.2537(2) 0.4033(4) 0.2998(2) 0.0728(12) Uani 1 1 d U
O2 O 0.3451(3) 0.4218(5) 0.2688(2) 0.0862(16) Uani 1 1 d U
O3 O 0.29192(17) 0.6643(3) 0.31691(17) 0.0417(8) Uani 1 1 d .
O4 O 0.31017(17) 0.7514(3) 0.41738(17) 0.0402(8) Uani 1 1 d .
C1 C 0.4066(2) 0.3204(4) 0.1605(2) 0.0335(11) Uani 1 1 d .
H1 H 0.4069 0.3978 0.1719 0.040 Uiso 1 1 calc R
C2 C 0.4656(2) 0.2702(4) 0.1591(2) 0.0336(11) Uani 1 1 d .
H2 H 0.5046 0.3135 0.1696 0.040 Uiso 1 1 calc R
C3 C 0.4679(2) 0.1553(4) 0.1423(2) 0.0364(11) Uani 1 1 d .
C4 C 0.4067(2) 0.0981(5) 0.1240(3) 0.0516(15) Uani 1 1 d .
H4 H 0.4045 0.0219 0.1098 0.062 Uiso 1 1 calc R
C5 C 0.3495(3) 0.1554(5) 0.1271(3) 0.0519(15) Uani 1 1 d .
H5 H 0.3094 0.1155 0.1149 0.062 Uiso 1 1 calc R
C6 C 0.5311(2) 0.0928(4) 0.1467(2) 0.0331(11) Uani 1 1 d .
C7 C 0.5894(2) 0.1228(4) 0.1937(3) 0.0400(12) Uani 1 1 d .
H7 H 0.5907 0.1881 0.2207 0.048 Uiso 1 1 calc R
C8 C 0.6459(2) 0.0578(5) 0.2014(3) 0.0436(13) Uani 1 1 d .
H8 H 0.6842 0.0795 0.2347 0.052 Uiso 1 1 calc R
C9 C 0.5935(2) -0.0608(5) 0.1153(3) 0.0509(15) Uani 1 1 d .
H9 H 0.5947 -0.1230 0.0865 0.061 Uiso 1 1 calc R
C10 C 0.5350(2) -0.0013(5) 0.1055(3) 0.0520(15) Uani 1 1 d .
H10 H 0.4977 -0.0239 0.0711 0.062 Uiso 1 1 calc R
C11 C 0.2493(3) 0.4969(4) 0.0420(3) 0.0396(12) Uani 1 1 d .
H11 H 0.2397 0.4238 0.0235 0.048 Uiso 1 1 calc R
C12 C 0.2407(2) 0.5888(4) -0.0029(2) 0.0376(11) Uani 1 1 d .
H12 H 0.2257 0.5771 -0.0503 0.045 Uiso 1 1 calc R
C13 C 0.2547(2) 0.6986(4) 0.0233(2) 0.0287(10) Uani 1 1 d .
C14 C 0.2777(3) 0.7091(4) 0.0943(2) 0.0404(12) Uani 1 1 d .
H14 H 0.2885 0.7809 0.1143 0.048 Uiso 1 1 calc R
C15 C 0.2845(3) 0.6130(4) 0.1351(3) 0.0415(12) Uani 1 1 d .
H15 H 0.2997 0.6223 0.1826 0.050 Uiso 1 1 calc R
C16 C 0.3138(3) 0.4277(4) 0.3120(3) 0.0449(13) Uani 1 1 d .
C17 C 0.3505(2) 0.4552(4) 0.3856(2) 0.0286(10) Uani 1 1 d .
C18 C 0.3834(2) 0.3639(4) 0.4245(2) 0.0368(11) Uani 1 1 d .
H18 H 0.3824 0.2920 0.4041 0.044 Uiso 1 1 calc R
C19 C 0.4177(2) 0.3785(4) 0.4934(2) 0.0383(12) Uani 1 1 d .
C20 C 0.4208(3) 0.4844(5) 0.5241(3) 0.0463(13) Uani 1 1 d .
H20 H 0.4451 0.4949 0.5697 0.056 Uiso 1 1 calc R
C21 C 0.3872(2) 0.5749(4) 0.4862(2) 0.0381(12) Uani 1 1 d .
H21 H 0.3882 0.6463 0.5072 0.046 Uiso 1 1 calc R
C22 C 0.3519(2) 0.5622(4) 0.4174(2) 0.0276(10) Uani 1 1 d .
C23 C 0.3157(2) 0.6667(4) 0.3809(2) 0.0293(10) Uani 1 1 d .
C24 C 0.4517(3) 0.2774(5) 0.5328(3) 0.0526(15) 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
N2 Cd1 O4 92.49(12) . 4_545
N2 Cd1 O2 88.39(16) . .
O4 Cd1 O2 159.79(14) 4_545 .
N2 Cd1 O3 146.97(13) . 4_545
O4 Cd1 O3 54.74(11) 4_545 4_545
O2 Cd1 O3 120.61(15) . 4_545
N2 Cd1 N3 78.59(13) . 3_455
O4 Cd1 N3 83.80(12) 4_545 3_455
O2 Cd1 N3 116.10(14) . 3_455
O3 Cd1 N3 99.50(13) 4_545 3_455
N2 Cd1 O1 116.41(15) . .
O4 Cd1 O1 141.79(14) 4_545 .
O2 Cd1 O1 52.52(15) . .
O3 Cd1 O1 95.07(14) 4_545 .
N3 Cd1 O1 78.56(14) 3_455 .
N2 Cd1 N1 84.12(13) . .
O4 Cd1 N1 82.37(12) 4_545 .
O2 Cd1 N1 77.64(14) . .
O3 Cd1 N1 87.04(13) 4_545 .
N3 Cd1 N1 157.30(13) 3_455 .
O1 Cd1 N1 122.78(14) . .
N2 Cd1 C23 119.76(14) . 4_545
O4 Cd1 C23 27.38(12) 4_545 4_545
O2 Cd1 C23 144.51(16) . 4_545
O3 Cd1 C23 27.37(12) 4_545 4_545
N3 Cd1 C23 91.97(13) 3_455 4_545
O1 Cd1 C23 119.54(15) . 4_545
N1 Cd1 C23 83.90(13) . 4_545
C5 N1 C1 116.0(4) . .
C5 N1 Cd1 124.1(3) . .
C1 N1 Cd1 118.8(3) . .
C15 N2 C11 116.7(4) . .
C15 N2 Cd1 122.3(3) . .
C11 N2 Cd1 118.5(3) . .
C9 N3 C8 116.3(4) . .
C9 N3 Cd1 122.4(3) . 3_545
C8 N3 Cd1 121.1(3) . 3_545
C16 O1 Cd1 90.3(4) . .
C16 O2 Cd1 94.1(4) . .
C23 O3 Cd1 89.9(3) . 4
C23 O4 Cd1 92.3(3) . 4
N1 C1 C2 123.8(4) . .
N1 C1 H1 118.1 . .
C2 C1 H1 118.1 . .
C1 C2 C3 120.5(5) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C2 C3 C4 116.0(4) . .
C2 C3 C6 123.1(4) . .
C4 C3 C6 120.7(4) . .
C5 C4 C3 119.4(5) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
N1 C5 C4 124.1(5) . .
N1 C5 H5 118.0 . .
C4 C5 H5 118.0 . .
C7 C6 C10 115.7(4) . .
C7 C6 C3 121.6(4) . .
C10 C6 C3 122.7(4) . .
C8 C7 C6 120.8(4) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
N3 C8 C7 123.2(4) . .
N3 C8 H8 118.4 . .
C7 C8 H8 118.4 . .
N3 C9 C10 123.7(5) . .
N3 C9 H9 118.2 . .
C10 C9 H9 118.2 . .
C9 C10 C6 120.1(5) . .
C9 C10 H10 119.9 . .
C6 C10 H10 119.9 . .
N2 C11 C12 123.4(5) . .
N2 C11 H11 118.3 . .
C12 C11 H11 118.3 . .
C11 C12 C13 119.4(4) . .
C11 C12 H12 120.3 . .
C13 C12 H12 120.3 . .
C14 C13 C12 117.0(4) . .
C14 C13 C13 121.6(5) . 7_565
C12 C13 C13 121.4(5) . 7_565
C15 C14 C13 119.6(5) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
N2 C15 C14 123.8(5) . .
N2 C15 H15 118.1 . .
C14 C15 H15 118.1 . .
O2 C16 O1 123.0(6) . .
O2 C16 C17 118.8(5) . .
O1 C16 C17 117.9(5) . .
C18 C17 C22 118.6(4) . .
C18 C17 C16 115.8(4) . .
C22 C17 C16 125.6(4) . .
C17 C18 C19 120.9(4) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C20 C19 C18 120.5(4) . .
C20 C19 C24 120.9(5) . .
C18 C19 C24 118.6(5) . .
C19 C20 C21 118.9(5) . .
C19 C20 H20 120.5 . .
C21 C20 H20 120.5 . .
C20 C21 C22 121.7(5) . .
C20 C21 H21 119.2 . .
C22 C21 H21 119.2 . .
C21 C22 C17 119.4(4) . .
C21 C22 C23 117.4(4) . .
C17 C22 C23 123.2(4) . .
O3 C23 O4 123.0(4) . .
O3 C23 C22 119.5(4) . .
O4 C23 C22 117.5(4) . .
O3 C23 Cd1 62.7(2) . 4
O4 C23 Cd1 60.3(2) . 4
C22 C23 Cd1 177.3(3) . 4
F1 C24 F2 104.7(5) . .
F1 C24 F3 108.6(6) . .
F2 C24 F3 102.4(5) . .
F1 C24 C19 113.4(5) . .
F2 C24 C19 113.1(5) . .
F3 C24 C19 113.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N2 2.338(4) .
Cd1 O4 2.364(3) 4_545
Cd1 O2 2.401(5) .
Cd1 O3 2.417(3) 4_545
Cd1 N3 2.437(4) 3_455
Cd1 O1 2.467(5) .
Cd1 N1 2.502(4) .
Cd1 C23 2.720(4) 4_545
F1 C24 1.292(7) .
F2 C24 1.314(7) .
F3 C24 1.313(7) .
N1 C5 1.335(6) .
N1 C1 1.338(6) .
N2 C15 1.330(6) .
N2 C11 1.333(6) .
N3 C9 1.327(6) .
N3 C8 1.330(6) .
N3 Cd1 2.437(4) 3_545
O1 C16 1.238(7) .
O2 C16 1.213(7) .
O3 C23 1.250(5) .
O3 Cd1 2.417(3) 4
O4 C23 1.252(5) .
O4 Cd1 2.364(3) 4
C1 C2 1.364(6) .
C1 H1 0.9300 .
C2 C3 1.386(6) .
C2 H2 0.9300 .
C3 C4 1.397(7) .
C3 C6 1.483(6) .
C4 C5 1.376(7) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.372(6) .
C6 C10 1.389(7) .
C7 C8 1.371(6) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.368(7) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.380(6) .
C11 H11 0.9300 .
C12 C13 1.386(7) .
C12 H12 0.9300 .
C13 C14 1.384(6) .
C13 C13 1.502(8) 7_565
C14 C15 1.372(7) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.509(7) .
C17 C18 1.389(6) .
C17 C22 1.398(6) .
C18 C19 1.391(6) .
C18 H18 0.9300 .
C19 C20 1.374(7) .
C19 C24 1.490(7) .
C20 C21 1.378(7) .
C20 H20 0.9300 .
C21 C22 1.391(6) .
C21 H21 0.9300 .
C22 C23 1.516(6) .
C23 Cd1 2.720(4) 4
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
N2 Cd1 N1 C5 -135.6(4) . .
O4 Cd1 N1 C5 -42.3(4) 4_545 .
O2 Cd1 N1 C5 134.8(4) . .
O3 Cd1 N1 C5 12.6(4) 4_545 .
N3 Cd1 N1 C5 -95.2(5) 3_455 .
O1 Cd1 N1 C5 106.7(4) . .
C23 Cd1 N1 C5 -14.7(4) 4_545 .
N2 Cd1 N1 C1 57.1(3) . .
O4 Cd1 N1 C1 150.4(3) 4_545 .
O2 Cd1 N1 C1 -32.6(3) . .
O3 Cd1 N1 C1 -154.8(3) 4_545 .
N3 Cd1 N1 C1 97.5(4) 3_455 .
O1 Cd1 N1 C1 -60.7(4) . .
C23 Cd1 N1 C1 177.9(4) 4_545 .
O4 Cd1 N2 C15 157.0(4) 4_545 .
O2 Cd1 N2 C15 -43.2(4) . .
O3 Cd1 N2 C15 163.7(3) 4_545 .
N3 Cd1 N2 C15 73.8(4) 3_455 .
O1 Cd1 N2 C15 2.8(4) . .
N1 Cd1 N2 C15 -121.0(4) . .
C23 Cd1 N2 C15 159.5(4) 4_545 .
O4 Cd1 N2 C11 -4.5(4) 4_545 .
O2 Cd1 N2 C11 155.3(4) . .
O3 Cd1 N2 C11 2.3(5) 4_545 .
N3 Cd1 N2 C11 -87.6(4) 3_455 .
O1 Cd1 N2 C11 -158.6(3) . .
N1 Cd1 N2 C11 77.6(4) . .
C23 Cd1 N2 C11 -1.9(4) 4_545 .
N2 Cd1 O1 C16 -65.4(4) . .
O4 Cd1 O1 C16 159.5(3) 4_545 .
O2 Cd1 O1 C16 -0.2(3) . .
O3 Cd1 O1 C16 125.0(3) 4_545 .
N3 Cd1 O1 C16 -136.3(4) 3_455 .
N1 Cd1 O1 C16 35.2(4) . .
C23 Cd1 O1 C16 137.9(3) 4_545 .
N2 Cd1 O2 C16 125.8(4) . .
O4 Cd1 O2 C16 -141.3(4) 4_545 .
O3 Cd1 O2 C16 -70.8(4) 4_545 .
N3 Cd1 O2 C16 49.4(4) 3_455 .
O1 Cd1 O2 C16 0.2(3) . .
N1 Cd1 O2 C16 -149.8(4) . .
C23 Cd1 O2 C16 -89.5(4) 4_545 .
C5 N1 C1 C2 -3.2(7) . .
Cd1 N1 C1 C2 165.2(4) . .
N1 C1 C2 C3 0.2(7) . .
C1 C2 C3 C4 3.0(7) . .
C1 C2 C3 C6 -173.6(4) . .
C2 C3 C4 C5 -3.3(8) . .
C6 C3 C4 C5 173.4(5) . .
C1 N1 C5 C4 2.9(8) . .
Cd1 N1 C5 C4 -164.8(5) . .
C3 C4 C5 N1 0.3(10) . .
C2 C3 C6 C7 29.4(8) . .
C4 C3 C6 C7 -147.0(5) . .
C2 C3 C6 C10 -152.5(5) . .
C4 C3 C6 C10 31.1(8) . .
C10 C6 C7 C8 -4.2(8) . .
C3 C6 C7 C8 174.1(5) . .
C9 N3 C8 C7 1.8(8) . .
Cd1 N3 C8 C7 179.1(4) 3_545 .
C6 C7 C8 N3 1.9(9) . .
C8 N3 C9 C10 -3.1(9) . .
Cd1 N3 C9 C10 179.6(5) 3_545 .
N3 C9 C10 C6 0.6(10) . .
C7 C6 C10 C9 3.0(8) . .
C3 C6 C10 C9 -175.2(5) . .
C15 N2 C11 C12 -0.8(8) . .
Cd1 N2 C11 C12 161.7(4) . .
N2 C11 C12 C13 0.1(8) . .
C11 C12 C13 C14 0.8(7) . .
C11 C12 C13 C13 -179.1(5) . 7_565
C12 C13 C14 C15 -1.1(7) . .
C13 C13 C14 C15 178.9(5) 7_565 .
C11 N2 C15 C14 0.6(8) . .
Cd1 N2 C15 C14 -161.2(4) . .
C13 C14 C15 N2 0.4(8) . .
Cd1 O2 C16 O1 -0.4(6) . .
Cd1 O2 C16 C17 173.7(4) . .
Cd1 O1 C16 O2 0.4(6) . .
Cd1 O1 C16 C17 -173.8(4) . .
O2 C16 C17 C18 -80.6(6) . .
O1 C16 C17 C18 93.8(6) . .
O2 C16 C17 C22 101.7(6) . .
O1 C16 C17 C22 -83.9(6) . .
C22 C17 C18 C19 -0.8(7) . .
C16 C17 C18 C19 -178.7(5) . .
C17 C18 C19 C20 -1.1(8) . .
C17 C18 C19 C24 179.5(5) . .
C18 C19 C20 C21 2.3(8) . .
C24 C19 C20 C21 -178.3(5) . .
C19 C20 C21 C22 -1.7(8) . .
C20 C21 C22 C17 -0.2(7) . .
C20 C21 C22 C23 178.9(5) . .
C18 C17 C22 C21 1.5(7) . .
C16 C17 C22 C21 179.1(5) . .
C18 C17 C22 C23 -177.6(4) . .
C16 C17 C22 C23 0.0(7) . .
Cd1 O3 C23 O4 -0.5(5) 4 .
Cd1 O3 C23 C22 178.1(3) 4 .
Cd1 O4 C23 O3 0.6(5) 4 .
Cd1 O4 C23 C22 -178.2(3) 4 .
C21 C22 C23 O3 169.3(4) . .
C17 C22 C23 O3 -11.6(7) . .
C21 C22 C23 O4 -12.0(6) . .
C17 C22 C23 O4 167.2(4) . .
C21 C22 C23 Cd1 -48(7) . 4
C17 C22 C23 Cd1 131(7) . 4
C20 C19 C24 F1 118.8(7) . .
C18 C19 C24 F1 -61.8(7) . .
C20 C19 C24 F2 -122.1(6) . .
C18 C19 C24 F2 57.2(7) . .
C20 C19 C24 F3 -5.8(8) . .
C18 C19 C24 F3 173.5(6) . .
