#------------------------------------------------------------------------------
#$Date: 2025-08-04 10:03:09 +0300 (Mon, 04 Aug 2025) $
#$Revision: 301442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/62/7056299.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_7056299
loop_
_publ_author_name
'Androš Dubraja, Lidija'
'Molcanov, Kresimir'
'Žilić, Dijana'
'Kojic-Prodic, Biserka'
'Wenger, Emmanuel'
_publ_section_title
;
 Multifunctionality and size of the chloranilate ligand define the
 topology of transition metal coordination polymers
;
_journal_issue                   14
_journal_name_full               'New J. Chem.'
_journal_page_first              6785
_journal_page_last               6794
_journal_paper_doi               10.1039/C7NJ01058C
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         '2(C18 H8 Cl2 Mn N2 O4), 2(C H3 O0.50)'
_chemical_formula_sum            'C38 H22 Cl4 Mn2 N4 O9'
_chemical_formula_weight         930.28
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-01-13T10:01:10-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-03-20 deposited with the CCDC.
2017-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.441(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2239(4)
_cell_length_b                   14.4704(4)
_cell_length_c                   20.2197(6)
_cell_measurement_reflns_used    3771
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.7013
_cell_measurement_theta_min      3.4496
_cell_volume                     4047.7(2)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4323
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Xcalibur, Ruby, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11111
_diffrn_reflns_theta_full        75.89
_diffrn_reflns_theta_max         75.89
_diffrn_reflns_theta_min         3.79
_exptl_absorpt_coefficient_mu    8.006
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.43261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1872.0
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4171
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.064
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1293P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1739
_reflns_number_gt                3422
_reflns_number_total             4171
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7nj01058c2.cif
_cod_data_source_block           82k
_cod_original_cell_volume        4047.73(19)
_cod_database_code               7056299
#BEGIN Tags that were not found in dictionaries:
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -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
Mn1 0.02485(3) 0.15715(3) 0.32701(2) 0.05795(19) Uani d . 1 Mn
Cl1 -0.24883(7) 0.15886(6) 0.10688(4) 0.0694(2) Uani d . 1 Cl
Cl2 0.22220(9) 0.45191(6) 0.30307(8) 0.1012(4) Uani d . 1 Cl
O1 -0.09397(16) 0.23423(17) 0.35273(11) 0.0658(5) Uani d . 1 O
O2 -0.09242(17) 0.15518(14) 0.23673(12) 0.0611(5) Uani d . 1 O
C1 -0.1696(2) 0.24382(19) 0.30728(14) 0.0550(6) Uani d . 1 C
C2 -0.1683(2) 0.19854(18) 0.23857(15) 0.0538(6) Uani d . 1 C
C3 -0.2488(2) 0.2086(2) 0.18465(15) 0.0562(6) Uani d . 1 C
O3 0.13016(17) 0.11535(16) 0.26923(12) 0.0664(5) Uani d . 1 O
O4 0.10635(18) 0.28120(16) 0.31331(13) 0.0694(6) Uani d . 1 O
C4 0.1884(2) 0.17476(19) 0.25827(14) 0.0532(6) Uani d . 1 C
C5 0.1744(2) 0.2720(2) 0.28423(14) 0.0544(6) Uani d . 1 C
C6 0.2366(3) 0.3416(2) 0.27433(18) 0.0615(7) Uani d . 1 C
N1 0.0885(2) 0.1579(2) 0.43957(15) 0.0669(7) Uani d . 1 N
N2 0.0371(2) 0.00888(19) 0.36027(13) 0.0615(6) Uani d . 1 N
C7 0.1110(4) 0.2328(4) 0.4779(3) 0.0996(14) Uani d . 1 C
H7 0.0986 0.2909 0.4582 0.12 Uiso calc R 1 H
C8 0.1532(5) 0.2255(7) 0.5475(3) 0.131(3) Uani d . 1 C
H8 0.1703 0.2789 0.5732 0.157 Uiso calc R 1 H
C9 0.1686(4) 0.1447(7) 0.5769(2) 0.124(3) Uani d . 1 C
H9 0.1945 0.1412 0.6235 0.149 Uiso calc R 1 H
C10 0.1464(3) 0.0631(5) 0.53878(18) 0.0931(15) Uani d . 1 C
C11 0.1043(2) 0.0742(3) 0.46857(15) 0.0636(8) Uani d . 1 C
C12 0.0792(2) -0.0050(2) 0.42687(16) 0.0612(7) Uani d . 1 C
C13 0.0976(3) -0.0944(3) 0.4555(2) 0.0853(12) Uani d . 1 C
C14 0.0723(4) -0.1699(3) 0.4114(4) 0.1095(19) Uani d . 1 C
H14 0.0826 -0.2299 0.428 0.131 Uiso calc R 1 H
C15 0.0335(5) -0.1555(3) 0.3455(4) 0.1065(17) Uani d . 1 C
H15 0.018 -0.2054 0.316 0.128 Uiso calc R 1 H
C16 0.0161(3) -0.0653(3) 0.3208(2) 0.0842(11) Uani d . 1 C
H16 -0.0114 -0.0569 0.2748 0.101 Uiso calc R 1 H
C17 0.1628(3) -0.0305(6) 0.5654(2) 0.116(2) Uani d . 1 C
H17 0.1897 -0.0392 0.6115 0.139 Uiso calc R 1 H
C18 0.1411(4) -0.1010(5) 0.5268(3) 0.110(2) Uani d . 1 C
H18 0.1541 -0.1595 0.5458 0.133 Uiso calc R 1 H
O5 0.0664(15) 0.5775(17) 0.4588(8) 0.266(8) Uani d PDU 0.5 O
H5 0.065 0.6328 0.4674 0.398 Uiso calc PR 0.5 H
C19 0.003(2) 0.559(3) 0.3954(11) 0.266(8) Uani d PDU 0.5 C
H19A -0.0593 0.5869 0.3958 0.319 Uiso calc PR 0.5 H
H19B 0.0273 0.5906 0.3605 0.319 Uiso calc PR 0.5 H
C20 -0.013(2) 0.471(2) 0.3769(11) 0.266(8) Uani d PDU 0.5 C
H20C 0.0344 0.4513 0.3527 0.398 Uiso calc PR 0.5 H
H20A -0.0764 0.4643 0.3479 0.398 Uiso calc PR 0.5 H
H20B -0.0077 0.433 0.4166 0.398 Uiso calc PR 0.5 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
O2 Mn1 O1 73.80(8) . .
O2 Mn1 O3 92.01(9) . .
O1 Mn1 O3 158.60(9) . .
O2 Mn1 O4 103.34(9) . .
O1 Mn1 O4 94.20(9) . .
O3 Mn1 O4 73.18(9) . .
O2 Mn1 N2 103.35(9) . .
O1 Mn1 N2 115.30(10) . .
O3 Mn1 N2 83.13(10) . .
O4 Mn1 N2 144.65(10) . .
O2 Mn1 N1 154.65(11) . .
O1 Mn1 N1 84.74(10) . .
O3 Mn1 N1 112.18(10) . .
O4 Mn1 N1 91.35(10) . .
N2 Mn1 N1 73.49(10) . .
C1 O1 Mn1 117.6(2) . .
C2 O2 Mn1 117.8(2) . .
O1 C1 C3 124.6(3) . 7_455
O1 C1 C2 115.3(3) . .
C3 C1 C2 120.1(2) 7_455 .
O2 C2 C3 125.8(3) . .
O2 C2 C1 115.5(2) . .
C3 C2 C1 118.8(3) . .
C1 C3 C2 121.1(3) 7_455 .
C1 C3 Cl1 119.3(2) 7_455 .
C2 C3 Cl1 119.6(2) . .
C4 O3 Mn1 118.0(2) . .
C5 O4 Mn1 117.6(2) . .
O3 C4 C6 125.2(3) . 7
O3 C4 C5 115.3(3) . .
C6 C4 C5 119.5(3) 7 .
O4 C5 C6 125.5(3) . .
O4 C5 C4 115.8(3) . .
C6 C5 C4 118.7(3) . .
C5 C6 C4 121.8(3) . 7
C5 C6 Cl2 119.6(3) . .
C4 C6 Cl2 118.6(2) 7 .
C7 N1 C11 119.2(4) . .
C7 N1 Mn1 125.6(3) . .
C11 N1 Mn1 115.2(2) . .
C16 N2 C12 117.5(3) . .
C16 N2 Mn1 127.0(3) . .
C12 N2 Mn1 115.2(2) . .
N1 C7 C8 121.0(6) . .
N1 C7 H7 119.5 . .
C8 C7 H7 119.5 . .
C9 C8 C7 120.7(6) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C10 120.7(5) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
C9 C10 C11 116.3(5) . .
C9 C10 C17 125.7(5) . .
C11 C10 C17 118.1(5) . .
N1 C11 C10 122.0(4) . .
N1 C11 C12 118.4(3) . .
C10 C11 C12 119.6(4) . .
N2 C12 C13 122.6(4) . .
N2 C12 C11 117.6(3) . .
C13 C12 C11 119.8(3) . .
C14 C13 C12 117.0(4) . .
C14 C13 C18 125.1(5) . .
C12 C13 C18 117.9(5) . .
C15 C14 C13 119.9(4) . .
C15 C14 H14 120 . .
C13 C14 H14 120 . .
C14 C15 C16 120.0(5) . .
C14 C15 H15 120 . .
C16 C15 H15 120 . .
N2 C16 C15 122.9(5) . .
N2 C16 H16 118.5 . .
C15 C16 H16 118.5 . .
C18 C17 C10 121.4(4) . .
C18 C17 H17 119.3 . .
C10 C17 H17 119.3 . .
C17 C18 C13 123.2(5) . .
C17 C18 H18 118.4 . .
C13 C18 H18 118.4 . .
C19 O5 H5 109.5 . .
C20 C19 O5 118(3) . .
C20 C19 H19A 107.9 . .
O5 C19 H19A 107.9 . .
C20 C19 H19B 107.9 . .
O5 C19 H19B 107.9 . .
H19A C19 H19B 107.2 . .
C19 C20 H20C 109.5 . .
C19 C20 H20A 109.5 . .
H20C C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20C C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Mn1 O2 . 2.168(2)
Mn1 O1 . 2.186(2)
Mn1 O3 . 2.188(2)
Mn1 O4 . 2.189(2)
Mn1 N2 . 2.243(3)
Mn1 N1 . 2.246(3)
Cl1 C3 . 1.729(3)
Cl2 C6 . 1.727(3)
O1 C1 . 1.250(4)
O2 C2 . 1.257(4)
C1 C3 7_455 1.391(4)
C1 C2 . 1.540(4)
C2 C3 . 1.393(4)
C3 C1 7_455 1.391(4)
O3 C4 . 1.249(4)
O4 C5 . 1.250(4)
C4 C6 7 1.399(5)
C4 C5 . 1.531(4)
C5 C6 . 1.386(4)
C6 C4 7 1.398(5)
N1 C7 . 1.327(5)
N1 C11 . 1.341(5)
N2 C16 . 1.329(5)
N2 C12 . 1.355(4)
C7 C8 . 1.400(9)
C7 H7 . 0.93
C8 C9 . 1.307(10)
C8 H8 . 0.93
C9 C10 . 1.406(10)
C9 H9 . 0.93
C10 C11 . 1.416(5)
C10 C17 . 1.456(9)
C11 C12 . 1.419(5)
C12 C13 . 1.417(5)
C13 C14 . 1.404(9)
C13 C18 . 1.432(8)
C14 C15 . 1.335(10)
C14 H14 . 0.93
C15 C16 . 1.398(7)
C15 H15 . 0.93
C16 H16 . 0.93
C17 C18 . 1.278(9)
C17 H17 . 0.93
C18 H18 . 0.93
O5 C19 . 1.413(17)
O5 H5 . 0.82
C19 C20 . 1.34(4)
C19 H19A . 0.97
C19 H19B . 0.97
C20 H20C . 0.96
C20 H20A . 0.96
C20 H20B . 0.96
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C15 H15 O2 0.93 2.62 3.409(5) 143.3 4_445
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 Mn1 O1 C1 -1.4(2) . .
O3 Mn1 O1 C1 48.7(4) . .
O4 Mn1 O1 C1 101.3(2) . .
N2 Mn1 O1 C1 -98.8(2) . .
N1 Mn1 O1 C1 -167.8(2) . .
O1 Mn1 O2 C2 2.5(2) . .
O3 Mn1 O2 C2 -161.2(2) . .
O4 Mn1 O2 C2 -88.0(2) . .
N2 Mn1 O2 C2 115.4(2) . .
N1 Mn1 O2 C2 35.8(3) . .
Mn1 O1 C1 C3 -179.5(2) . 7_455
Mn1 O1 C1 C2 0.4(3) . .
Mn1 O2 C2 C3 176.7(2) . .
Mn1 O2 C2 C1 -3.1(3) . .
O1 C1 C2 O2 1.8(4) . .
C3 C1 C2 O2 -178.3(3) 7_455 .
O1 C1 C2 C3 -178.0(3) . .
C3 C1 C2 C3 1.9(4) 7_455 .
O2 C2 C3 C1 178.3(3) . 7_455
C1 C2 C3 C1 -1.9(4) . 7_455
O2 C2 C3 Cl1 -0.1(4) . .
C1 C2 C3 Cl1 179.7(2) . .
O2 Mn1 O3 C4 106.8(2) . .
O1 Mn1 O3 C4 59.3(4) . .
O4 Mn1 O3 C4 3.5(2) . .
N2 Mn1 O3 C4 -150.0(2) . .
N1 Mn1 O3 C4 -81.0(2) . .
O2 Mn1 O4 C5 -91.6(2) . .
O1 Mn1 O4 C5 -165.9(2) . .
O3 Mn1 O4 C5 -3.5(2) . .
N2 Mn1 O4 C5 46.5(3) . .
N1 Mn1 O4 C5 109.3(2) . .
Mn1 O3 C4 C6 176.2(2) . 7
Mn1 O3 C4 C5 -3.1(3) . .
Mn1 O4 C5 C6 -176.5(2) . .
Mn1 O4 C5 C4 3.2(3) . .
O3 C4 C5 O4 -0.1(4) . .
C6 C4 C5 O4 -179.4(3) 7 .
O3 C4 C5 C6 179.6(3) . .
C6 C4 C5 C6 0.3(5) 7 .
O4 C5 C6 C4 179.4(3) . 7
C4 C5 C6 C4 -0.3(5) . 7
O4 C5 C6 Cl2 -0.4(5) . .
C4 C5 C6 Cl2 179.9(2) . .
O2 Mn1 N1 C7 -91.8(4) . .
O1 Mn1 N1 C7 -59.8(4) . .
O3 Mn1 N1 C7 106.6(4) . .
O4 Mn1 N1 C7 34.3(4) . .
N2 Mn1 N1 C7 -178.2(4) . .
O2 Mn1 N1 C11 88.4(3) . .
O1 Mn1 N1 C11 120.4(2) . .
O3 Mn1 N1 C11 -73.2(3) . .
O4 Mn1 N1 C11 -145.5(2) . .
N2 Mn1 N1 C11 2.0(2) . .
O2 Mn1 N2 C16 29.5(3) . .
O1 Mn1 N2 C16 107.7(3) . .
O3 Mn1 N2 C16 -61.0(3) . .
O4 Mn1 N2 C16 -108.6(3) . .
N1 Mn1 N2 C16 -176.6(3) . .
O2 Mn1 N2 C12 -157.2(2) . .
O1 Mn1 N2 C12 -79.0(2) . .
O3 Mn1 N2 C12 112.4(2) . .
O4 Mn1 N2 C12 64.7(3) . .
N1 Mn1 N2 C12 -3.3(2) . .
C11 N1 C7 C8 1.7(7) . .
Mn1 N1 C7 C8 -178.1(4) . .
N1 C7 C8 C9 -2.1(10) . .
C7 C8 C9 C10 2.3(10) . .
C8 C9 C10 C11 -2.0(8) . .
C8 C9 C10 C17 178.2(5) . .
C7 N1 C11 C10 -1.5(6) . .
Mn1 N1 C11 C10 178.4(2) . .
C7 N1 C11 C12 179.6(3) . .
Mn1 N1 C11 C12 -0.6(4) . .
C9 C10 C11 N1 1.6(5) . .
C17 C10 C11 N1 -178.6(3) . .
C9 C10 C11 C12 -179.5(4) . .
C17 C10 C11 C12 0.4(5) . .
C16 N2 C12 C13 -2.4(5) . .
Mn1 N2 C12 C13 -176.4(2) . .
C16 N2 C12 C11 178.1(3) . .
Mn1 N2 C12 C11 4.2(4) . .
N1 C11 C12 N2 -2.4(4) . .
C10 C11 C12 N2 178.6(3) . .
N1 C11 C12 C13 178.1(3) . .
C10 C11 C12 C13 -0.9(5) . .
N2 C12 C13 C14 1.4(5) . .
C11 C12 C13 C14 -179.1(4) . .
N2 C12 C13 C18 -179.1(3) . .
C11 C12 C13 C18 0.4(5) . .
C12 C13 C14 C15 0.5(7) . .
C18 C13 C14 C15 -178.9(5) . .
C13 C14 C15 C16 -1.4(9) . .
C12 N2 C16 C15 1.5(6) . .
Mn1 N2 C16 C15 174.6(4) . .
C14 C15 C16 N2 0.4(8) . .
C9 C10 C17 C18 -179.4(5) . .
C11 C10 C17 C18 0.7(7) . .
C10 C17 C18 C13 -1.3(8) . .
C14 C13 C18 C17 -179.8(5) . .
C12 C13 C18 C17 0.8(7) . .
