#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/52/2205210.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2205210
loop_
_publ_author_name
'Ali, Hapipah M.'
'Kamalul Aripin, Nurul Fadhilah'
'Ng, Seik Weng'
_publ_section_title
;
 Bis(μ-5-chloro-2-hydroxyacetophenone
 4-nitrobenzoylhydrazonato)bis[dipyridinecadmium(II)]
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m433
_journal_page_last               m434
_journal_paper_doi               10.1107/S1600536805002953
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cd2 (C15 H10 Cl N3 O4)2 (C5 H5 N)4]'
_chemical_formula_moiety         '4C5 H5 N, 2C15 H10 N3 O4 Cl, 2Cd'
_chemical_formula_sum            'C50 H40 Cd2 Cl2 N10 O8'
_chemical_formula_weight         1204.62
_chemical_name_systematic
;
Bis(μ-5-chloro-2-hydroxyacetophenone
4-nitrobenzoylhydrazonato)bis[dipyridinecadmium(II)]
;
_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                 90.0240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.115(2)
_cell_length_b                   12.0120(10)
_cell_length_c                   22.071(2)
_cell_measurement_reflns_used    4294
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.9
_cell_volume                     5067.7(8)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device_type  'Bruker APEX area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.034
_diffrn_reflns_av_sigmaI/netI    0.045
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14778
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.09
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.15
_refine_ls_R_factor_all          0.075
_refine_ls_R_factor_gt           0.058
_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)+(0.0653P)²+1.6639P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.124
_refine_ls_wR_factor_ref         0.131
_reflns_number_gt                4632
_reflns_number_total             5692
_reflns_threshold_expression     I>\2s(I)
_cod_data_source_file            bt6595.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        5067.8(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2205210
_cod_database_fobs_code          2205210
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Cd1 0.528290(16) 0.60382(2) 0.450383(14) 0.03341(12) Uani d . 1 Cd
Cl1 0.79533(7) 0.19353(12) 0.37763(7) 0.0650(4) Uani d . 1 Cl
O1 0.55201(15) 0.4254(2) 0.47794(14) 0.0369(7) Uani d . 1 O
O2 0.41970(16) 0.2882(2) 0.61811(14) 0.0453(8) Uani d . 1 O
O3 0.2457(2) -0.0876(3) 0.7949(2) 0.0696(12) Uani d . 1 O
O4 0.3017(2) -0.2225(3) 0.75426(19) 0.0709(12) Uani d . 1 O
N1 0.52670(18) 0.2240(3) 0.54651(16) 0.0346(8) Uani d . 1 N
N2 0.49475(19) 0.1464(3) 0.58457(17) 0.0406(9) Uani d . 1 N
N3 0.2902(2) -0.1241(3) 0.76120(19) 0.0492(10) Uani d . 1 N
N4 0.6227(2) 0.6561(3) 0.51736(17) 0.0428(9) Uani d . 1 N
N5 0.4717(2) 0.5242(3) 0.36449(17) 0.0450(9) Uani d . 1 N
C1 0.6053(2) 0.3660(3) 0.45643(18) 0.0316(9) Uani d . 1 C
C2 0.6491(3) 0.4180(4) 0.4140(2) 0.0414(11) Uani d . 1 C
H2 0.6388 0.4905 0.4021 0.050 Uiso calc R 1 H
C3 0.7063(2) 0.3668(4) 0.3893(2) 0.0434(11) Uani d . 1 C
H3 0.7335 0.4029 0.3605 0.052 Uiso calc R 1 H
C4 0.7225(2) 0.2613(4) 0.4080(2) 0.0431(11) Uani d . 1 C
C5 0.6811(2) 0.2075(4) 0.4485(2) 0.0435(11) Uani d . 1 C
H5 0.6930 0.1353 0.4597 0.052 Uiso calc R 1 H
C6 0.6207(2) 0.2560(3) 0.47454(19) 0.0333(9) Uani d . 1 C
C7 0.5806(2) 0.1869(3) 0.5175(2) 0.0385(10) Uani d . 1 C
C8 0.6047(4) 0.0683(4) 0.5279(3) 0.085(2) Uani d . 1 C
H8a 0.5741 0.0327 0.5565 0.128 Uiso calc R 1 H
H8b 0.6515 0.0687 0.5436 0.128 Uiso calc R 1 H
H8c 0.6036 0.0283 0.4903 0.128 Uiso calc R 1 H
C9 0.4424(2) 0.1878(3) 0.61687(19) 0.0353(9) Uani d . 1 C
C10 0.4062(2) 0.1051(4) 0.6566(2) 0.0393(10) Uani d . 1 C
C11 0.4198(3) -0.0089(4) 0.6527(2) 0.0557(14) Uani d . 1 C
H11 0.4540 -0.0347 0.6263 0.067 Uiso calc R 1 H
C12 0.3828(3) -0.0837(4) 0.6878(3) 0.0550(14) Uani d . 1 C
H12 0.3922 -0.1596 0.6856 0.066 Uiso calc R 1 H
C13 0.3323(2) -0.0448(4) 0.7258(2) 0.0424(11) Uani d . 1 C
C14 0.3178(3) 0.0667(4) 0.7307(2) 0.0476(12) Uani d . 1 C
H14 0.2831 0.0916 0.7569 0.057 Uiso calc R 1 H
C15 0.3553(3) 0.1415(4) 0.6960(2) 0.0431(11) Uani d . 1 C
H15 0.3461 0.2172 0.6993 0.052 Uiso calc R 1 H
C16 0.6673(3) 0.5848(4) 0.5433(2) 0.0481(12) Uani d . 1 C
H16 0.6607 0.5089 0.5374 0.058 Uiso calc R 1 H
C17 0.7229(3) 0.6198(4) 0.5785(3) 0.0593(14) Uani d . 1 C
H17 0.7529 0.5678 0.5958 0.071 Uiso calc R 1 H
C18 0.7337(3) 0.7304(5) 0.5880(3) 0.0634(15) Uani d . 1 C
H18 0.7714 0.7554 0.6110 0.076 Uiso calc R 1 H
C19 0.6873(3) 0.8036(5) 0.5626(3) 0.0689(16) Uani d . 1 C
H19 0.6923 0.8798 0.5688 0.083 Uiso calc R 1 H
C20 0.6333(3) 0.7636(4) 0.5277(3) 0.0597(14) Uani d . 1 C
H20 0.6026 0.8145 0.5104 0.072 Uiso calc R 1 H
C21 0.4634(3) 0.4157(4) 0.3563(2) 0.0535(13) Uani d . 1 C
H21 0.4812 0.3675 0.3854 0.064 Uiso calc R 1 H
C22 0.4298(3) 0.3705(6) 0.3068(3) 0.0696(17) Uani d . 1 C
H22 0.4256 0.2937 0.3025 0.084 Uiso calc R 1 H
C23 0.4028(3) 0.4408(6) 0.2644(3) 0.0722(18) Uani d . 1 C
H23 0.3788 0.4129 0.2310 0.087 Uiso calc R 1 H
C24 0.4115(3) 0.5524(6) 0.2715(3) 0.0653(15) Uani d . 1 C
H24 0.3949 0.6018 0.2424 0.078 Uiso calc R 1 H
C25 0.4451(3) 0.5908(5) 0.3219(3) 0.0544(13) Uani d . 1 C
H25 0.4496 0.6674 0.3269 0.065 Uiso calc R 1 H
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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Cd1 O1 . 5_666 78.40(10) yes
O1 Cd1 O2 . 5_666 129.90(10) yes
O1 Cd1 N1 . 5_666 157.30(10) yes
O1 Cd1 N4 . . 86.10(10) yes
O1 Cd1 N5 5_666 . 100.90(10) yes
O1 Cd1 O2 5_666 5_666 151.710(10) yes
O1 Cd1 N1 5_666 5_666 78.90(10) yes
O1 Cd1 N4 5_666 . 97.00(10) yes
O1 Cd1 N5 . . 85.70(10) yes
O2 Cd1 N1 5_666 5_666 72.70(10) yes
O2 Cd1 N4 5_666 . 86.00(10) yes
O2 Cd1 N5 5_666 . 84.00(10) yes
N1 Cd1 N4 5_666 . 95.10(10) yes
N1 Cd1 N5 5_666 . 100.10(10) yes
N4 Cd1 N5 . . 158.50(10) yes
C1 O1 Cd1 . 5_666 134.0(2) no
C1 O1 Cd1 . . 124.2(2) no
Cd1 O1 Cd1 . 5_666 101.60(10) no
C9 O2 Cd1 . 5_666 112.5(2) no
C7 N1 N2 . . 114.7(3) no
C7 N1 Cd1 . 5_666 133.1(3) no
N2 N1 Cd1 . 5_666 112.3(2) no
C9 N2 N1 . . 113.8(3) no
O3 N3 O4 . . 123.9(4) no
O3 N3 C13 . . 118.4(4) no
O4 N3 C13 . . 117.7(4) no
C20 N4 C16 . . 116.9(4) no
C20 N4 Cd1 . . 118.2(3) no
C16 N4 Cd1 . . 124.9(3) no
C21 N5 C25 . . 116.6(5) no
C21 N5 Cd1 . . 123.9(4) no
C25 N5 Cd1 . . 119.5(4) no
O1 C1 C2 . . 117.2(4) no
O1 C1 C6 . . 124.0(4) no
C2 C1 C6 . . 118.8(4) no
C3 C2 C1 . . 122.9(4) no
C3 C2 H2 . . 118.6 no
C1 C2 H2 . . 118.6 no
C2 C3 C4 . . 118.6(4) no
C2 C3 H3 . . 120.7 no
C4 C3 H3 . . 120.7 no
C5 C4 C3 . . 120.4(4) no
C5 C4 Cl1 . . 119.7(4) no
C3 C4 Cl1 . . 119.8(4) no
C4 C5 C6 . . 123.2(4) no
C4 C5 H5 . . 118.4 no
C6 C5 H5 . . 118.4 no
C1 C6 C5 . . 116.1(4) no
C1 C6 C7 . . 126.9(4) no
C5 C6 C7 . . 116.9(4) no
N1 C7 C6 . . 122.6(4) no
N1 C7 C8 . . 119.4(4) no
C6 C7 C8 . . 118.0(4) no
C7 C8 H8a . . 109.5 no
C7 C8 H8b . . 109.5 no
H8a C8 H8b . . 109.5 no
C7 C8 H8c . . 109.5 no
H8a C8 H8c . . 109.5 no
H8b C8 H8c . . 109.5 no
O2 C9 N2 . . 128.3(4) no
O2 C9 C10 . . 117.1(4) no
N2 C9 C10 . . 114.6(4) no
C15 C10 C11 . . 118.8(4) no
C15 C10 C9 . . 119.2(4) no
C11 C10 C9 . . 122.0(4) no
C12 C11 C10 . . 120.6(4) no
C12 C11 H11 . . 119.7 no
C10 C11 H11 . . 119.7 no
C13 C12 C11 . . 119.0(4) no
C13 C12 H12 . . 120.5 no
C11 C12 H12 . . 120.5 no
C12 C13 C14 . . 121.8(4) no
C12 C13 N3 . . 119.5(4) no
C14 C13 N3 . . 118.7(4) no
C13 C14 C15 . . 119.1(4) no
C13 C14 H14 . . 120.4 no
C15 C14 H14 . . 120.4 no
C10 C15 C14 . . 120.8(4) no
C10 C15 H15 . . 119.6 no
C14 C15 H15 . . 119.6 no
N4 C16 C17 . . 122.4(4) no
N4 C16 H16 . . 118.8 no
C17 C16 H16 . . 118.8 no
C18 C17 C16 . . 120.0(5) no
C18 C17 H17 . . 120.0 no
C16 C17 H17 . . 120.0 no
C17 C18 C19 . . 117.8(5) no
C17 C18 H18 . . 121.1 no
C19 C18 H18 . . 121.1 no
C18 C19 C20 . . 119.4(5) no
C18 C19 H19 . . 120.3 no
C20 C19 H19 . . 120.3 no
N4 C20 C19 . . 123.5(5) no
N4 C20 H20 . . 118.2 no
C19 C20 H20 . . 118.2 no
N5 C21 C22 . . 123.5(5) no
N5 C21 H21 . . 118.3 no
C22 C21 H21 . . 118.3 no
C23 C22 C21 . . 118.4(6) no
C23 C22 H22 . . 120.8 no
C21 C22 H22 . . 120.8 no
C24 C23 C22 . . 119.1(6) no
C24 C23 H23 . . 120.5 no
C22 C23 H23 . . 120.5 no
C23 C24 C25 . . 119.0(6) no
C23 C24 H24 . . 120.5 no
C25 C24 H24 . . 120.5 no
N5 C25 C24 . . 123.4(5) no
N5 C25 H25 . . 118.3 no
C24 C25 H25 . . 118.3 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 O1 . 2.273(3) yes
Cd1 O1 5_666 2.232(3) yes
Cd1 O2 5_666 2.227(3) yes
Cd1 N1 5_666 2.321(3) yes
Cd1 N4 . 2.415(4) yes
Cd1 N5 . 2.382(4) yes
Cl1 C4 . 1.746(4) no
O1 C1 . 1.331(5) no
O2 C9 . 1.282(5) no
O3 N3 . 1.212(5) no
O4 N3 . 1.212(5) no
N1 C7 . 1.292(5) no
N1 N2 . 1.395(5) no
N2 C9 . 1.325(5) no
N3 C13 . 1.471(6) no
N4 C20 . 1.326(6) no
N4 C16 . 1.338(6) no
N5 C21 . 1.326(6) no
N5 C25 . 1.335(6) no
C1 C2 . 1.404(6) no
C1 C6 . 1.412(6) no
C2 C3 . 1.367(6) no
C2 H2 . 0.9300 no
C3 C4 . 1.368(6) no
C3 H3 . 0.9300 no
C4 C5 . 1.359(6) no
C5 C6 . 1.415(6) no
C5 H5 . 0.9300 no
C6 C7 . 1.475(6) no
C7 C8 . 1.515(6) no
C8 H8a . 0.9600 no
C8 H8b . 0.9600 no
C8 H8c . 0.9600 no
C9 C10 . 1.495(6) no
C10 C15 . 1.376(6) no
C10 C11 . 1.397(6) no
C11 C12 . 1.382(7) no
C11 H11 . 0.9300 no
C12 C13 . 1.361(7) no
C12 H12 . 0.9300 no
C13 C14 . 1.371(7) no
C14 C15 . 1.381(6) no
C14 H14 . 0.9300 no
C15 H15 . 0.9300 no
C16 C17 . 1.382(7) no
C16 H16 . 0.9300 no
C17 C18 . 1.360(7) no
C17 H17 . 0.9300 no
C18 C19 . 1.370(8) no
C18 H18 . 0.9300 no
C19 C20 . 1.374(8) no
C19 H19 . 0.9300 no
C20 H20 . 0.9300 no
C21 C22 . 1.379(8) no
C21 H21 . 0.9300 no
C22 C23 . 1.361(9) no
C22 H22 . 0.9300 no
C23 C24 . 1.361(9) no
C23 H23 . 0.9300 no
C24 C25 . 1.364(8) no
C24 H24 . 0.9300 no
C25 H25 . 0.9300 no
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 Cd1 O1 C1 5_666 . 3.8(4) no
O1 Cd1 O1 C1 5_666 . -175.6(4) no
N1 Cd1 O1 C1 5_666 . -171.6(3) no
N5 Cd1 O1 C1 . . 82.4(3) no
N4 Cd1 O1 C1 . . -77.7(3) no
O2 Cd1 O1 Cd1 5_666 5_666 179.42(13) no
O1 Cd1 O1 Cd1 5_666 5_666 0.0 no
N1 Cd1 O1 Cd1 5_666 5_666 4.0(4) no
N5 Cd1 O1 Cd1 . 5_666 -102.04(14) no
N4 Cd1 O1 Cd1 . 5_666 97.91(14) no
C7 N1 N2 C9 . . 175.8(4) no
Cd1 N1 N2 C9 5_666 . -3.4(5) no
O2 Cd1 N4 C20 5_666 . 56.4(4) no
O1 Cd1 N4 C20 5_666 . -95.2(4) no
O1 Cd1 N4 C20 . . -173.1(4) no
N1 Cd1 N4 C20 5_666 . -15.8(4) no
N5 Cd1 N4 C20 . . 119.0(5) no
O2 Cd1 N4 C16 5_666 . -120.8(4) no
O1 Cd1 N4 C16 5_666 . 87.6(4) no
O1 Cd1 N4 C16 . . 9.7(4) no
N1 Cd1 N4 C16 5_666 . 167.0(4) no
N5 Cd1 N4 C16 . . -58.2(6) no
O2 Cd1 N5 C21 5_666 . 135.8(4) no
O1 Cd1 N5 C21 5_666 . -72.5(4) no
O1 Cd1 N5 C21 . . 4.8(4) no
N1 Cd1 N5 C21 5_666 . -153.0(4) no
N4 Cd1 N5 C21 . . 72.8(5) no
O2 Cd1 N5 C25 5_666 . -45.6(4) no
O1 Cd1 N5 C25 5_666 . 106.1(4) no
O1 Cd1 N5 C25 . . -176.5(4) no
N1 Cd1 N5 C25 5_666 . 25.6(4) no
N4 Cd1 N5 C25 . . -108.5(5) no
Cd1 O1 C1 C2 5_666 . -174.1(3) no
Cd1 O1 C1 C2 . . -0.1(5) no
Cd1 O1 C1 C6 5_666 . 4.7(6) no
Cd1 O1 C1 C6 . . 178.7(3) no
O1 C1 C2 C3 . . 178.8(4) no
C6 C1 C2 C3 . . -0.1(7) no
C1 C2 C3 C4 . . -1.7(8) no
C2 C3 C4 C5 . . 2.3(8) no
C2 C3 C4 Cl1 . . -179.8(4) no
C3 C4 C5 C6 . . -1.2(8) no
Cl1 C4 C5 C6 . . -179.1(4) no
O1 C1 C6 C5 . . -177.6(4) no
C2 C1 C6 C5 . . 1.2(6) no
O1 C1 C6 C7 . . 2.3(7) no
C2 C1 C6 C7 . . -178.9(4) no
C4 C5 C6 C1 . . -0.5(7) no
C4 C5 C6 C7 . . 179.5(5) no
N2 N1 C7 C6 . . 179.1(4) no
Cd1 N1 C7 C6 5_666 . -1.8(7) no
N2 N1 C7 C8 . . -1.4(7) no
Cd1 N1 C7 C8 5_666 . 177.6(4) no
C1 C6 C7 N1 . . -3.6(8) no
C5 C6 C7 N1 . . 176.3(4) no
C1 C6 C7 C8 . . 176.9(5) no
C5 C6 C7 C8 . . -3.1(7) no
Cd1 O2 C9 N2 5_666 . 6.0(6) no
Cd1 O2 C9 C10 5_666 . -174.0(3) no
N1 N2 C9 O2 . . -1.7(7) no
N1 N2 C9 C10 . . 178.3(4) no
O2 C9 C10 C15 . . -5.8(7) no
N2 C9 C10 C15 . . 174.2(4) no
O2 C9 C10 C11 . . 170.8(5) no
N2 C9 C10 C11 . . -9.2(7) no
C15 C10 C11 C12 . . 0.1(8) no
C9 C10 C11 C12 . . -176.6(5) no
C10 C11 C12 C13 . . 0.6(9) no
C11 C12 C13 C14 . . -0.7(9) no
C11 C12 C13 N3 . . 177.0(5) no
O3 N3 C13 C12 . . 179.8(5) no
O4 N3 C13 C12 . . -1.1(8) no
O3 N3 C13 C14 . . -2.4(7) no
O4 N3 C13 C14 . . 176.7(5) no
C12 C13 C14 C15 . . 0.0(8) no
N3 C13 C14 C15 . . -177.7(5) no
C11 C10 C15 C14 . . -0.7(8) no
C9 C10 C15 C14 . . 176.0(4) no
C13 C14 C15 C10 . . 0.7(8) no
C20 N4 C16 C17 . . -1.0(8) no
Cd1 N4 C16 C17 . . 176.2(4) no
N4 C16 C17 C18 . . 0.1(9) no
C16 C17 C18 C19 . . 1.2(10) no
C17 C18 C19 C20 . . -1.6(10) no
C16 N4 C20 C19 . . 0.6(8) no
Cd1 N4 C20 C19 . . -176.8(5) no
C18 C19 C20 N4 . . 0.7(10) no
C25 N5 C21 C22 . . 0.4(8) no
Cd1 N5 C21 C22 . . 179.1(4) no
N5 C21 C22 C23 . . -0.8(9) no
C21 C22 C23 C24 . . 1.6(9) no
C22 C23 C24 C25 . . -2.1(9) no
C21 N5 C25 C24 . . -0.9(8) no
Cd1 N5 C25 C24 . . -179.7(4) no
C23 C24 C25 N5 . . 1.8(9) no
