#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:00:54 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223680 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/24/7232490.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_7232490
loop_
_publ_author_name
'Kong, Jiao-Jiao'
'Jiang, Yu-Xuan'
'Zhang, Jia-Chen'
'Shao, Dong'
'Huang, Xing-Cai'
_publ_section_title
;
 Two-dimensional magnetic materials of cobalt(ii) triangular lattices
 constructed by a mixed benzimidazole--dicarboxylate strategy
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2596
_journal_paper_doi               10.1039/C9CE00129H
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         '0.5(C76 H44 Cl4 Co6 N8 O24), 2(C H4 O)'
_chemical_formula_sum            'C40 H30 Cl2 Co3 N4 O14'
_chemical_formula_weight         1038.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.3-dev
(compiled 2019.02.04 svn.r3569 for OlexSys, GUI svn.r5585)
;
_audit_update_record
;
2019-02-18 deposited with the CCDC.    2019-03-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.3630(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.3565(11)
_cell_length_b                   9.4440(4)
_cell_length_c                   18.7778(8)
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.90
_cell_measurement_theta_min      3.07
_cell_volume                     4336.0(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26761
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.928
_diffrn_reflns_theta_min         2.312
_exptl_absorpt_coefficient_mu    1.328
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_description       Plate-like
_exptl_crystal_F_000             2100
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.219
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         8072
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0385P)²+5.6126P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6922
_reflns_number_total             8072
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce00129h2.cif
_cod_data_source_block           2_PBA_5ClBIm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7232488--7232490.cif.
;
_cod_database_code               7232490
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.879
_shelx_estimated_absorpt_t_min   0.632
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O7-C20 \\sim O7A-C20A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C20A) \\sim Ueq, Uanis(O7A) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(C20)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
4. Others
 Sof(O7A)=Sof(H7AA)=Sof(C20A)=Sof(H20D)=Sof(H20E)=Sof(H20F)=1-FVAR(1)
 Sof(O7)=Sof(H7A)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 N2(H2), C1(H1), C4(H4), C5(H5), C7(H7), C10(H10), C11(H11), C14(H14),
 C15(H15), C18(H18), C19(H19)
5.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C20A(H20D,H20E,H20F)
5.c Idealised tetrahedral OH refined as rotating group:
 O7(H7A), O7A(H7AA)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co2 Co 0.61903(2) 0.27835(2) 0.95012(2) 0.01227(5) Uani 1 1 d . . . . .
Co1 Co 0.750000 -0.250000 0.500000 0.01036(6) Uani 1 2 d S T P . .
Cl1 Cl 0.45705(3) 0.06938(8) 1.11496(4) 0.05388(17) Uani 1 1 d . . . . .
O1 O 0.68319(4) 0.40308(11) 0.99323(6) 0.01447(18) Uani 1 1 d . . . . .
O2 O 0.62320(5) 0.19690(13) 0.85661(6) 0.0203(2) Uani 1 1 d . . . . .
O3 O 0.71425(5) 0.17550(13) 0.89555(6) 0.0214(2) Uani 1 1 d . . . . .
O4 O 0.64261(5) 0.51611(13) 0.89042(7) 0.0246(2) Uani 1 1 d . . . . .
O5 O 0.62504(4) -0.14441(13) 0.53232(6) 0.0202(2) Uani 1 1 d . . . . .
O6 O 0.71482(4) -0.10553(12) 0.55278(6) 0.0183(2) Uani 1 1 d . . . . .
N1 N 0.54160(5) 0.34719(15) 0.93186(7) 0.0199(2) Uani 1 1 d . . . . .
N2 N 0.46193(6) 0.43703(18) 0.86821(9) 0.0303(3) Uani 1 1 d . . . . .
H2 H 0.438062 0.484676 0.834055 0.036 Uiso 1 1 calc R . . . .
C1 C 0.51595(7) 0.4274(2) 0.87529(10) 0.0269(3) Uani 1 1 d . . . . .
H1 H 0.533878 0.473260 0.843185 0.032 Uiso 1 1 calc R . . . .
C2 C 0.45082(6) 0.35835(19) 0.92440(10) 0.0245(3) Uani 1 1 d . . . . .
C3 C 0.50094(6) 0.30173(18) 0.96421(9) 0.0201(3) Uani 1 1 d . . . . .
C4 C 0.40235(7) 0.3295(2) 0.94365(12) 0.0335(4) Uani 1 1 d . . . . .
H4 H 0.368432 0.368991 0.916898 0.040 Uiso 1 1 calc R . . . .
C5 C 0.40589(8) 0.2412(2) 1.00311(13) 0.0353(4) Uani 1 1 d . . . . .
H5 H 0.373808 0.218899 1.017872 0.042 Uiso 1 1 calc R . . . .
C6 C 0.45599(8) 0.1841(2) 1.04190(12) 0.0321(4) Uani 1 1 d . . . . .
C7 C 0.50455(7) 0.2127(2) 1.02419(10) 0.0264(3) Uani 1 1 d . . . . .
H7 H 0.538409 0.173701 1.051493 0.032 Uiso 1 1 calc R . . . .
C8 C 0.67858(6) 0.51187(15) 0.94949(8) 0.0151(2) Uani 1 1 d . . . . .
C9 C 0.71625(5) 0.63380(15) 0.97542(8) 0.0141(2) Uani 1 1 d . . . . .
C10 C 0.72016(6) 0.74189(16) 0.92637(8) 0.0171(3) Uani 1 1 d . . . . .
H10 H 0.699796 0.736077 0.876099 0.021 Uiso 1 1 calc R . . . .
C11 C 0.75367(6) 0.85770(16) 0.95081(8) 0.0165(3) Uani 1 1 d . . . . .
H11 H 0.756152 0.931250 0.917335 0.020 Uiso 1 1 calc R . . . .
C12 C 0.66955(6) 0.16446(15) 0.84774(7) 0.0158(2) Uani 1 1 d . . . . .
C13 C 0.67015(6) 0.10638(16) 0.77372(7) 0.0160(2) Uani 1 1 d . . . . .
C14 C 0.71935(6) 0.06634(18) 0.75962(8) 0.0205(3) Uani 1 1 d . . . . .
H14 H 0.752874 0.080726 0.796133 0.025 Uiso 1 1 calc R . . . .
C15 C 0.71946(6) 0.00554(18) 0.69239(8) 0.0199(3) Uani 1 1 d . . . . .
H15 H 0.753062 -0.021311 0.682905 0.024 Uiso 1 1 calc R . . . .
C16 C 0.67038(6) -0.01619(16) 0.63880(8) 0.0153(2) Uani 1 1 d . . . . .
C17 C 0.67047(6) -0.09351(15) 0.56923(7) 0.0144(2) Uani 1 1 d . . . . .
C18 C 0.62123(6) 0.08891(17) 0.71919(8) 0.0191(3) Uani 1 1 d . . . . .
H18 H 0.587763 0.118895 0.728032 0.023 Uiso 1 1 calc R . . . .
C19 C 0.62126(6) 0.02790(17) 0.65208(8) 0.0185(3) Uani 1 1 d . . . . .
H19 H 0.587824 0.016039 0.615053 0.022 Uiso 1 1 calc R . . . .
O7 O 0.6183(4) 0.5579(9) 0.7411(4) 0.0405(16) Uani 0.414(17) 1 d D U . A 1
H7A H 0.634012 0.542755 0.785768 0.061 Uiso 0.414(17) 1 calc GR . . A 1
C20 C 0.6260(6) 0.6989(11) 0.7241(6) 0.061(3) Uani 0.414(17) 1 d D U . A 1
H20A H 0.607496 0.760796 0.751832 0.091 Uiso 0.414(17) 1 calc GR . . A 1
H20B H 0.610622 0.714479 0.671072 0.091 Uiso 0.414(17) 1 calc GR . . A 1
H20C H 0.665168 0.720634 0.737590 0.091 Uiso 0.414(17) 1 calc GR . . A 1
O7A O 0.5977(4) 0.5846(6) 0.7479(3) 0.0527(16) Uani 0.586(17) 1 d D U . A 2
H7AA H 0.610890 0.563899 0.792611 0.079 Uiso 0.586(17) 1 calc GR . . A 2
C20A C 0.6027(4) 0.7301(6) 0.7382(3) 0.0536(18) Uani 0.586(17) 1 d D U . A 2
H20D H 0.596519 0.780737 0.780832 0.080 Uiso 0.586(17) 1 calc GR . . A 2
H20E H 0.575517 0.760497 0.693245 0.080 Uiso 0.586(17) 1 calc GR . . A 2
H20F H 0.639474 0.751255 0.733630 0.080 Uiso 0.586(17) 1 calc GR . . 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O1 Co2 N1 122.15(5) . .
O2 Co2 O1 111.45(5) . .
O2 Co2 O5 116.23(5) . 6_556
O2 Co2 N1 104.96(5) . .
O5 Co2 O1 100.11(5) 6_556 .
O5 Co2 N1 102.16(5) 6_556 .
O1 Co1 O1 180.00(3) 4_646 6
O3 Co1 O1 88.19(4) 4_646 6
O3 Co1 O1 91.81(4) 6 6
O3 Co1 O1 91.81(4) 4_646 4_646
O3 Co1 O1 88.19(4) 6 4_646
O3 Co1 O3 180.00(3) 6 4_646
O6 Co1 O1 87.79(4) 7_646 6
O6 Co1 O1 92.21(4) . 6
O6 Co1 O1 87.79(4) . 4_646
O6 Co1 O1 92.21(4) 7_646 4_646
O6 Co1 O3 84.48(5) . 4_646
O6 Co1 O3 95.52(5) 7_646 4_646
O6 Co1 O3 84.48(5) 7_646 6
O6 Co1 O3 95.52(5) . 6
O6 Co1 O6 180.00(8) 7_646 .
Co2 O1 Co1 99.64(4) . 4_656
C8 O1 Co2 106.40(9) . .
C8 O1 Co1 119.55(9) . 4_656
C12 O2 Co2 119.22(9) . .
C12 O3 Co1 143.23(10) . 4_656
C17 O5 Co2 122.74(9) . 6
C17 O6 Co1 136.43(10) . .
C1 N1 Co2 124.82(11) . .
C1 N1 C3 105.20(13) . .
C3 N1 Co2 128.85(11) . .
C1 N2 H2 126.3 . .
C1 N2 C2 107.30(14) . .
C2 N2 H2 126.3 . .
N1 C1 N2 112.85(16) . .
N1 C1 H1 123.6 . .
N2 C1 H1 123.6 . .
N2 C2 C3 105.91(14) . .
N2 C2 C4 132.47(17) . .
C4 C2 C3 121.61(18) . .
N1 C3 C2 108.73(15) . .
C7 C3 N1 129.89(14) . .
C7 C3 C2 121.36(15) . .
C2 C4 H4 121.5 . .
C5 C4 C2 117.08(17) . .
C5 C4 H4 121.5 . .
C4 C5 H5 119.6 . .
C4 C5 C6 120.80(17) . .
C6 C5 H5 119.6 . .
C5 C6 Cl1 118.26(14) . .
C7 C6 Cl1 118.76(16) . .
C7 C6 C5 122.97(19) . .
C3 C7 H7 121.9 . .
C6 C7 C3 116.17(17) . .
C6 C7 H7 121.9 . .
O1 C8 C9 117.41(12) . .
O4 C8 O1 120.91(13) . .
O4 C8 C9 121.59(13) . .
C10 C9 C8 120.00(13) . .
C11 C9 C8 120.16(13) 7_667 .
C11 C9 C10 119.81(13) 7_667 .
C9 C10 H10 119.9 . .
C11 C10 C9 120.20(13) . .
C11 C10 H10 119.9 . .
C9 C11 H11 120.0 7_667 .
C10 C11 C9 119.99(13) . 7_667
C10 C11 H11 120.0 . .
O2 C12 C13 116.62(12) . .
O3 C12 O2 125.54(13) . .
O3 C12 C13 117.83(13) . .
C14 C13 C12 120.33(13) . .
C18 C13 C12 119.96(13) . .
C18 C13 C14 119.69(13) . .
C13 C14 H14 119.9 . .
C15 C14 C13 120.17(13) . .
C15 C14 H14 119.9 . .
C14 C15 H15 119.9 . .
C14 C15 C16 120.11(13) . .
C16 C15 H15 119.9 . .
C15 C16 C17 119.66(12) . .
C15 C16 C19 119.68(13) . .
C19 C16 C17 120.58(12) . .
O5 C17 C16 116.72(12) . .
O6 C17 O5 125.22(13) . .
O6 C17 C16 118.04(12) . .
C13 C18 H18 119.9 . .
C19 C18 C13 120.17(13) . .
C19 C18 H18 119.9 . .
C16 C19 H19 119.9 . .
C18 C19 C16 120.11(13) . .
C18 C19 H19 119.9 . .
C20 O7 H7A 109.5 . .
O7 C20 H20A 109.5 . .
O7 C20 H20B 109.5 . .
O7 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C20A O7A H7AA 109.5 . .
O7A C20A H20D 109.5 . .
O7A C20A H20E 109.5 . .
O7A C20A H20F 109.5 . .
H20D C20A H20E 109.5 . .
H20D C20A H20F 109.5 . .
H20E C20A H20F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co2 O1 1.9979(10) .
Co2 O2 1.9453(11) .
Co2 O5 1.9700(11) 6_556
Co2 N1 2.0096(13) .
Co1 O1 2.2050(10) 6
Co1 O1 2.2049(10) 4_646
Co1 O3 2.0546(10) 4_646
Co1 O3 2.0546(10) 6
Co1 O6 2.0268(10) .
Co1 O6 2.0268(10) 7_646
Cl1 C6 1.743(2) .
O1 C8 1.3011(17) .
O2 C12 1.2675(18) .
O3 C12 1.2499(18) .
O4 C8 1.2360(18) .
O5 C17 1.2709(17) .
O6 C17 1.2479(16) .
N1 C1 1.327(2) .
N1 C3 1.396(2) .
N2 H2 0.8800 .
N2 C1 1.344(2) .
N2 C2 1.379(2) .
C1 H1 0.9500 .
C2 C3 1.399(2) .
C2 C4 1.397(2) .
C3 C7 1.389(2) .
C4 H4 0.9500 .
C4 C5 1.377(3) .
C5 H5 0.9500 .
C5 C6 1.394(3) .
C6 C7 1.385(2) .
C7 H7 0.9500 .
C8 C9 1.493(2) .
C9 C10 1.396(2) .
C9 C11 1.395(2) 7_667
C10 H10 0.9500 .
C10 C11 1.386(2) .
C11 H11 0.9500 .
C12 C13 1.4981(19) .
C13 C14 1.394(2) .
C13 C18 1.3934(19) .
C14 H14 0.9500 .
C14 C15 1.387(2) .
C15 H15 0.9500 .
C15 C16 1.393(2) .
C16 C17 1.4971(19) .
C16 C19 1.3970(19) .
C18 H18 0.9500 .
C18 C19 1.3857(19) .
C19 H19 0.9500 .
O7 H7A 0.8400 .
O7 C20 1.395(9) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
O7A H7AA 0.8400 .
O7A C20A 1.397(6) .
C20A H20D 0.9800 .
C20A H20E 0.9800 .
C20A H20F 0.9800 .
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
Co2 O1 C8 O4 -6.61(16) . .
Co2 O1 C8 C9 170.05(10) . .
Co2 O2 C12 O3 2.6(2) . .
Co2 O2 C12 C13 -178.17(10) . .
Co2 O5 C17 O6 10.1(2) 6 .
Co2 O5 C17 C16 -168.41(10) 6 .
Co2 N1 C1 N2 168.44(12) . .
Co2 N1 C3 C2 -168.09(12) . .
Co2 N1 C3 C7 10.2(3) . .
Co1 O1 C8 O4 104.95(14) 4_656 .
Co1 O1 C8 C9 -78.38(14) 4_656 .
Co1 O3 C12 O2 -6.5(3) 4_656 .
Co1 O3 C12 C13 174.28(13) 4_656 .
Co1 O6 C17 O5 -30.3(2) . .
Co1 O6 C17 C16 148.20(12) . .
Cl1 C6 C7 C3 178.27(14) . .
O1 C8 C9 C10 168.57(13) . .
O1 C8 C9 C11 -13.43(19) . 7_667
O2 C12 C13 C14 -179.19(15) . .
O2 C12 C13 C18 -0.8(2) . .
O3 C12 C13 C14 0.1(2) . .
O3 C12 C13 C18 178.48(15) . .
O4 C8 C9 C10 -14.8(2) . .
O4 C8 C9 C11 163.21(14) . 7_667
N1 C3 C7 C6 -178.19(18) . .
N2 C2 C3 N1 0.22(19) . .
N2 C2 C3 C7 -178.24(16) . .
N2 C2 C4 C5 178.0(2) . .
C1 N1 C3 C2 0.03(19) . .
C1 N1 C3 C7 178.32(19) . .
C1 N2 C2 C3 -0.4(2) . .
C1 N2 C2 C4 -179.3(2) . .
C2 N2 C1 N1 0.4(2) . .
C2 C3 C7 C6 -0.1(3) . .
C2 C4 C5 C6 0.1(3) . .
C3 N1 C1 N2 -0.3(2) . .
C3 C2 C4 C5 -0.8(3) . .
C4 C2 C3 N1 179.27(16) . .
C4 C2 C3 C7 0.8(3) . .
C4 C5 C6 Cl1 -178.26(17) . .
C4 C5 C6 C7 0.6(3) . .
C5 C6 C7 C3 -0.6(3) . .
C8 C9 C10 C11 177.80(13) . .
C9 C10 C11 C9 0.2(2) . 7_667
C11 C9 C10 C11 -0.2(2) 7_667 .
C12 C13 C14 C15 176.53(15) . .
C12 C13 C18 C19 -176.39(15) . .
C13 C14 C15 C16 -0.2(3) . .
C13 C18 C19 C16 -0.1(3) . .
C14 C13 C18 C19 2.0(2) . .
C14 C15 C16 C17 -174.55(15) . .
C14 C15 C16 C19 2.2(2) . .
C15 C16 C17 O5 161.13(15) . .
C15 C16 C17 O6 -17.5(2) . .
C15 C16 C19 C18 -2.0(2) . .
C17 C16 C19 C18 174.67(15) . .
C18 C13 C14 C15 -1.9(2) . .
C19 C16 C17 O5 -15.6(2) . .
C19 C16 C17 O6 165.84(14) . .
