#------------------------------------------------------------------------------
#$Date: 2021-04-26 09:50:29 +0300 (Mon, 26 Apr 2021) $
#$Revision: 264521 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/20/1562064.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_1562064
loop_
_publ_author_name
'Yang, Gao-Shan'
'Liu, Chong-Bo'
'Liu, Hong'
'Robbins, Julianne'
'Zhang, Z. John'
'Yin, Hong-Shan'
'Wen, Hui-Liang'
'Wang, Yu-Hua'
_publ_section_title
;
 Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on
 flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and
 properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              391
_journal_page_last               401
_journal_paper_doi               10.1016/j.jssc.2014.12.013
_journal_volume                  225
_journal_year                    2015
_chemical_formula_sum            'C29 H22 F6 Mn N2 O7'
_chemical_formula_weight         679.43
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/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                 101.929(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.184(2)
_cell_length_b                   7.7697(11)
_cell_length_c                   23.302(3)
_cell_measurement_reflns_used    6375
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.87
_cell_measurement_theta_min      2.62
_cell_volume                     2689.7(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14244
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    0.586
_exptl_absorpt_correction_T_max  0.9172
_exptl_absorpt_correction_T_min  0.8917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.933
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5013
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0562P)²+3.1028P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                4274
_reflns_number_total             5013
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-225-391.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        2689.8(7)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1562064
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
O6 O 0.71326(12) 0.5672(2) 1.00045(8) 0.0353(4) Uani 1 1 d . . .
O5 O 0.76728(13) 0.8296(2) 1.01716(9) 0.0387(5) Uani 1 1 d . . .
C19 C 0.77722(17) 0.6691(3) 1.01672(10) 0.0296(6) Uani 1 1 d . . .
C18 C 0.87146(18) 0.6028(4) 1.04056(12) 0.0361(6) Uani 1 1 d . . .
H18A H 0.9121 0.6539 1.0183 0.043 Uiso 1 1 calc R . .
H18B H 0.8903 0.6404 1.0809 0.043 Uiso 1 1 calc R . .
Mn1 Mn 0.38342(3) 0.29993(5) 0.507321(16) 0.02827(13) Uani 1 1 d . . .
F1 F 0.96229(13) -0.2124(2) 0.87350(8) 0.0467(4) Uani 1 1 d . . .
F2 F 0.81978(12) -0.1678(2) 0.84922(8) 0.0487(4) Uani 1 1 d . . .
F3 F 0.89619(14) -0.2130(2) 0.78319(8) 0.0500(5) Uani 1 1 d . . .
C2 C 0.67408(18) 0.2780(4) 0.57116(11) 0.0317(6) Uani 1 1 d . . .
H2A H 0.7008 0.1724 0.5605 0.038 Uiso 1 1 calc R . .
H2B H 0.7170 0.3707 0.5719 0.038 Uiso 1 1 calc R . .
O1 O 0.52057(12) 0.2279(3) 0.52985(8) 0.0353(4) Uani 1 1 d . . .
C16 C 0.8912(2) 0.1667(4) 0.98803(12) 0.0386(7) Uani 1 1 d . . .
H16 H 0.8907 0.1085 1.0228 0.046 Uiso 1 1 calc R . .
N1 N 0.38079(16) 0.2512(3) 0.40915(9) 0.0340(5) Uani 1 1 d . . .
C9 C 0.91253(17) 0.0626(3) 0.82997(10) 0.0278(5) Uani 1 1 d . . .
O3 O 0.65146(13) 0.2601(3) 0.62733(8) 0.0405(5) Uani 1 1 d . . .
C1 C 0.58785(17) 0.3172(3) 0.52710(10) 0.0274(5) Uani 1 1 d . . .
C15 C 0.88380(17) 0.3443(4) 0.98630(11) 0.0299(6) Uani 1 1 d . . .
C8 C 0.80630(18) 0.1781(4) 0.66927(11) 0.0346(6) Uani 1 1 d . . .
H8 H 0.8233 0.1833 0.6332 0.041 Uiso 1 1 calc R . .
C11 C 1.01175(18) 0.0932(4) 0.82628(11) 0.0318(6) Uani 1 1 d . . .
C6 C 0.84627(17) 0.1241(3) 0.77401(10) 0.0279(5) Uani 1 1 d . . .
C12 C 0.89869(17) 0.1575(3) 0.88579(11) 0.0281(5) Uani 1 1 d . . .
C5 C 0.75797(18) 0.1617(4) 0.77716(11) 0.0349(6) Uani 1 1 d . . .
H5 H 0.7409 0.1565 0.8132 0.042 Uiso 1 1 calc R . .
C14 C 0.88240(18) 0.4296(3) 0.93385(11) 0.0323(6) Uani 1 1 d . . .
H14 H 0.8766 0.5487 0.9318 0.039 Uiso 1 1 calc R . .
C3 C 0.71884(18) 0.2151(4) 0.67331(11) 0.0321(6) Uani 1 1 d . . .
C4 C 0.69500(19) 0.2067(4) 0.72775(12) 0.0376(6) Uani 1 1 d . . .
H4 H 0.6363 0.2316 0.7309 0.045 Uiso 1 1 calc R . .
C10 C 0.89830(19) -0.1332(4) 0.83432(12) 0.0357(6) Uani 1 1 d . . .
C17 C 0.8991(2) 0.0758(4) 0.93876(12) 0.0374(6) Uani 1 1 d . . .
H17 H 0.9049 -0.0433 0.9410 0.045 Uiso 1 1 calc R . .
C13 C 0.88970(18) 0.3362(3) 0.88459(11) 0.0314(6) Uani 1 1 d . . .
H13 H 0.8886 0.3942 0.8495 0.038 Uiso 1 1 calc R . .
C7 C 0.86896(18) 0.1329(4) 0.71960(11) 0.0335(6) Uani 1 1 d . . .
H7 H 0.9277 0.1079 0.7165 0.040 Uiso 1 1 calc R . .
C24 C 0.3137(2) 0.3104(4) 0.36715(12) 0.0395(7) Uani 1 1 d . . .
H24 H 0.2636 0.3575 0.3784 0.047 Uiso 1 1 calc R . .
C23 C 0.31474(19) 0.3053(4) 0.30830(11) 0.0382(7) Uani 1 1 d . . .
H23 H 0.2665 0.3492 0.2810 0.046 Uiso 1 1 calc R . .
C25 C 0.39250(18) 0.2324(4) 0.22676(11) 0.0315(6) Uani 1 1 d . . .
C22 C 0.38793(18) 0.2346(4) 0.28976(11) 0.0319(6) Uani 1 1 d . . .
C20 C 0.4498(2) 0.1775(4) 0.39113(12) 0.0406(7) Uani 1 1 d . . .
H20 H 0.4960 0.1302 0.4192 0.049 Uiso 1 1 calc R . .
C29 C 0.35214(19) 0.3607(4) 0.18905(11) 0.0359(6) Uani 1 1 d . . .
H29 H 0.3249 0.4538 0.2035 0.043 Uiso 1 1 calc R . .
C21 C 0.4561(2) 0.1680(4) 0.33329(12) 0.0409(7) Uani 1 1 d . . .
H21 H 0.5062 0.1168 0.3232 0.049 Uiso 1 1 calc R . .
C26 C 0.4353(2) 0.1025(4) 0.20246(12) 0.0434(7) Uani 1 1 d . . .
H26 H 0.4654 0.0156 0.2261 0.052 Uiso 1 1 calc R . .
O4 O 0.87967(13) 0.4204(3) 1.03859(8) 0.0379(5) Uani 1 1 d . . .
N2 N 0.39090(16) 0.2208(3) 0.10620(9) 0.0355(5) Uani 1 1 d . . .
C28 C 0.35260(19) 0.3497(4) 0.13004(11) 0.0366(6) Uani 1 1 d . . .
H28 H 0.3247 0.4368 0.1055 0.044 Uiso 1 1 calc R . .
C27 C 0.4332(2) 0.1022(4) 0.14297(12) 0.0463(8) Uani 1 1 d . . .
H27 H 0.4630 0.0141 0.1277 0.056 Uiso 1 1 calc R . .
O2 O 0.59106(13) 0.4312(2) 0.48915(8) 0.0345(4) Uani 1 1 d . . .
F5 F 1.02574(11) 0.2566(2) 0.81338(7) 0.0393(4) Uani 1 1 d . . .
F6 F 1.03970(11) -0.0044(2) 0.78621(7) 0.0424(4) Uani 1 1 d . . .
F4 F 1.06821(11) 0.0599(2) 0.87738(7) 0.0433(4) Uani 1 1 d . . .
O7 O 0.6747(4) 0.2335(9) 0.9038(3) 0.195(3) Uani 1 1 d D . .
H2W H 0.7032 0.3129 0.9380 0.293 Uiso 1 1 d RD . .
H1W H 0.7227 0.2217 0.8910 0.293 Uiso 1 1 d RD . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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
C19 O6 Mn1 88.26(16) . 2_656
C19 O5 Mn1 90.80(16) . 2_656
O6 C19 O5 123.0(2) . .
O6 C19 C18 120.8(2) . .
O5 C19 C18 116.1(2) . .
O6 C19 Mn1 62.97(14) . 2_656
O5 C19 Mn1 60.24(14) . 2_656
C18 C19 Mn1 170.89(18) . 2_656
O4 C18 C19 114.1(2) . .
O4 C18 H18A 108.7 . .
C19 C18 H18A 108.7 . .
O4 C18 H18B 108.7 . .
C19 C18 H18B 108.7 . .
H18A C18 H18B 107.6 . .
O1 Mn1 O2 95.06(8) . 3_666
O1 Mn1 O5 170.53(8) . 2_646
O2 Mn1 O5 94.41(7) 3_666 2_646
O1 Mn1 N2 83.68(8) . 4_566
O2 Mn1 N2 93.42(8) 3_666 4_566
O5 Mn1 N2 95.66(8) 2_646 4_566
O1 Mn1 N1 90.98(8) . .
O2 Mn1 N1 99.50(8) 3_666 .
O5 Mn1 N1 87.55(8) 2_646 .
N2 Mn1 N1 166.42(9) 4_566 .
O1 Mn1 O6 112.90(7) . 2_646
O2 Mn1 O6 151.67(7) 3_666 2_646
O5 Mn1 O6 57.65(7) 2_646 2_646
N2 Mn1 O6 85.55(8) 4_566 2_646
N1 Mn1 O6 85.05(8) . 2_646
O1 Mn1 C19 141.57(8) . 2_646
O2 Mn1 C19 123.36(8) 3_666 2_646
O5 Mn1 C19 28.96(8) 2_646 2_646
N2 Mn1 C19 92.21(8) 4_566 2_646
N1 Mn1 C19 84.21(8) . 2_646
O6 Mn1 C19 28.77(8) 2_646 2_646
O3 C2 C1 107.6(2) . .
O3 C2 H2A 110.2 . .
C1 C2 H2A 110.2 . .
O3 C2 H2B 110.2 . .
C1 C2 H2B 110.2 . .
H2A C2 H2B 108.5 . .
C1 O1 Mn1 127.94(17) . .
C17 C16 C15 120.6(3) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C20 N1 C24 116.4(2) . .
C20 N1 Mn1 121.82(18) . .
C24 N1 Mn1 121.46(19) . .
C10 C9 C11 107.9(2) . .
C10 C9 C12 111.7(2) . .
C11 C9 C12 106.1(2) . .
C10 C9 C6 106.5(2) . .
C11 C9 C6 112.1(2) . .
C12 C9 C6 112.5(2) . .
C3 O3 C2 117.5(2) . .
O1 C1 O2 125.3(2) . .
O1 C1 C2 117.0(2) . .
O2 C1 C2 117.6(2) . .
O4 C15 C16 115.0(2) . .
O4 C15 C14 125.7(2) . .
C16 C15 C14 119.2(2) . .
C3 C8 C7 119.6(2) . .
C3 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
F5 C11 F6 107.1(2) . .
F5 C11 F4 106.4(2) . .
F6 C11 F4 105.9(2) . .
F5 C11 C9 111.2(2) . .
F6 C11 C9 113.9(2) . .
F4 C11 C9 111.9(2) . .
C7 C6 C5 117.7(2) . .
C7 C6 C9 123.1(2) . .
C5 C6 C9 119.1(2) . .
C17 C12 C13 117.1(2) . .
C17 C12 C9 123.6(2) . .
C13 C12 C9 119.2(2) . .
C4 C5 C6 121.2(2) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C13 C14 C15 119.5(2) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
O3 C3 C8 125.1(2) . .
O3 C3 C4 115.7(2) . .
C8 C3 C4 119.2(2) . .
C5 C4 C3 120.4(3) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
F2 C10 F3 106.2(2) . .
F2 C10 F1 106.9(2) . .
F3 C10 F1 105.9(2) . .
F2 C10 C9 111.1(2) . .
F3 C10 C9 112.1(2) . .
F1 C10 C9 114.0(2) . .
C16 C17 C12 121.5(3) . .
C16 C17 H17 119.2 . .
C12 C17 H17 119.2 . .
C14 C13 C12 122.0(2) . .
C14 C13 H13 119.0 . .
C12 C13 H13 119.0 . .
C6 C7 C8 121.9(2) . .
C6 C7 H7 119.1 . .
C8 C7 H7 119.1 . .
N1 C24 C23 123.7(3) . .
N1 C24 H24 118.1 . .
C23 C24 H24 118.1 . .
C24 C23 C22 119.8(3) . .
C24 C23 H23 120.1 . .
C22 C23 H23 120.1 . .
C26 C25 C29 116.7(2) . .
C26 C25 C22 122.3(3) . .
C29 C25 C22 121.0(2) . .
C23 C22 C21 116.4(2) . .
C23 C22 C25 121.1(2) . .
C21 C22 C25 122.5(3) . .
N1 C20 C21 123.4(3) . .
N1 C20 H20 118.3 . .
C21 C20 H20 118.3 . .
C28 C29 C25 119.7(3) . .
C28 C29 H29 120.2 . .
C25 C29 H29 120.2 . .
C20 C21 C22 120.2(3) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C27 C26 C25 119.8(3) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
C15 O4 C18 118.7(2) . .
C27 N2 C28 116.5(2) . .
C27 N2 Mn1 121.10(19) . 4_565
C28 N2 Mn1 122.45(18) . 4_565
N2 C28 C29 123.6(3) . .
N2 C28 H28 118.2 . .
C29 C28 H28 118.2 . .
N2 C27 C26 123.6(3) . .
N2 C27 H27 118.2 . .
C26 C27 H27 118.2 . .
C1 O2 Mn1 134.24(16) . 3_666
H2W O7 H1W 94.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O6 C19 1.249(3) .
O6 Mn1 2.3124(19) 2_656
O5 C19 1.256(3) .
O5 Mn1 2.253(2) 2_656
C19 C18 1.514(4) .
C19 Mn1 2.595(3) 2_656
C18 O4 1.424(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
Mn1 O1 2.1151(19) .
Mn1 O2 2.123(2) 3_666
Mn1 O5 2.253(2) 2_646
Mn1 N2 2.289(2) 4_566
Mn1 N1 2.311(2) .
Mn1 O6 2.312(2) 2_646
Mn1 C19 2.595(3) 2_646
F1 C10 1.338(3) .
F2 C10 1.336(3) .
F3 C10 1.338(3) .
C2 O3 1.427(3) .
C2 C1 1.519(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
O1 C1 1.248(3) .
C16 C17 1.375(4) .
C16 C15 1.384(4) .
C16 H16 0.9300 .
N1 C20 1.336(4) .
N1 C24 1.340(4) .
C9 C10 1.543(4) .
C9 C11 1.545(4) .
C9 C12 1.547(3) .
C9 C6 1.549(3) .
O3 C3 1.365(3) .
C1 O2 1.259(3) .
C15 O4 1.367(3) .
C15 C14 1.386(4) .
C8 C3 1.381(4) .
C8 C7 1.394(4) .
C8 H8 0.9300 .
C11 F5 1.332(3) .
C11 F6 1.338(3) .
C11 F4 1.341(3) .
C6 C7 1.382(4) .
C6 C5 1.389(4) .
C12 C17 1.387(4) .
C12 C13 1.394(4) .
C5 C4 1.381(4) .
C5 H5 0.9300 .
C14 C13 1.382(4) .
C14 H14 0.9300 .
C3 C4 1.391(4) .
C4 H4 0.9300 .
C17 H17 0.9300 .
C13 H13 0.9300 .
C7 H7 0.9300 .
C24 C23 1.375(4) .
C24 H24 0.9300 .
C23 C22 1.386(4) .
C23 H23 0.9300 .
C25 C26 1.384(4) .
C25 C29 1.385(4) .
C25 C22 1.484(4) .
C22 C21 1.391(4) .
C20 C21 1.373(4) .
C20 H20 0.9300 .
C29 C28 1.379(4) .
C29 H29 0.9300 .
C21 H21 0.9300 .
C26 C27 1.380(4) .
C26 H26 0.9300 .
N2 C27 1.330(4) .
N2 C28 1.335(4) .
N2 Mn1 2.289(2) 4_565
C28 H28 0.9300 .
C27 H27 0.9300 .
O2 Mn1 2.1234(19) 3_666
O7 H2W 1.0301 .
O7 H1W 0.8471 .
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
O7 H2W O6 1.03 2.44 3.405(7) 155.7 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Mn1 O6 C19 O5 -5.9(3) 2_656 . . .
Mn1 O6 C19 C18 170.5(2) 2_656 . . .
Mn1 O5 C19 O6 6.0(3) 2_656 . . .
Mn1 O5 C19 C18 -170.5(2) 2_656 . . .
O6 C19 C18 O4 4.0(4) . . . .
O5 C19 C18 O4 -179.3(2) . . . .
Mn1 C19 C18 O4 116.2(12) 2_656 . . .
O2 Mn1 O1 C1 -18.7(2) 3_666 . . .
O5 Mn1 O1 C1 161.9(4) 2_646 . . .
N2 Mn1 O1 C1 -111.5(2) 4_566 . . .
N1 Mn1 O1 C1 81.0(2) . . . .
O6 Mn1 O1 C1 166.0(2) 2_646 . . .
C19 Mn1 O1 C1 162.88(19) 2_646 . . .
O1 Mn1 N1 C20 8.4(2) . . . .
O2 Mn1 N1 C20 103.7(2) 3_666 . . .
O5 Mn1 N1 C20 -162.3(2) 2_646 . . .
N2 Mn1 N1 C20 -58.2(5) 4_566 . . .
O6 Mn1 N1 C20 -104.5(2) 2_646 . . .
C19 Mn1 N1 C20 -133.4(2) 2_646 . . .
O1 Mn1 N1 C24 -165.1(2) . . . .
O2 Mn1 N1 C24 -69.8(2) 3_666 . . .
O5 Mn1 N1 C24 24.2(2) 2_646 . . .
N2 Mn1 N1 C24 128.3(4) 4_566 . . .
O6 Mn1 N1 C24 82.0(2) 2_646 . . .
C19 Mn1 N1 C24 53.1(2) 2_646 . . .
C1 C2 O3 C3 176.6(2) . . . .
Mn1 O1 C1 O2 -33.5(4) . . . .
Mn1 O1 C1 C2 150.06(18) . . . .
O3 C2 C1 O1 -45.7(3) . . . .
O3 C2 C1 O2 137.6(2) . . . .
C17 C16 C15 O4 -177.7(3) . . . .
C17 C16 C15 C14 1.5(4) . . . .
C10 C9 C11 F5 170.4(2) . . . .
C12 C9 C11 F5 -69.8(2) . . . .
C6 C9 C11 F5 53.4(3) . . . .
C10 C9 C11 F6 49.2(3) . . . .
C12 C9 C11 F6 169.0(2) . . . .
C6 C9 C11 F6 -67.7(3) . . . .
C10 C9 C11 F4 -70.8(3) . . . .
C12 C9 C11 F4 49.0(3) . . . .
C6 C9 C11 F4 172.2(2) . . . .
C10 C9 C6 C7 -91.3(3) . . . .
C11 C9 C6 C7 26.5(4) . . . .
C12 C9 C6 C7 146.0(3) . . . .
C10 C9 C6 C5 84.2(3) . . . .
C11 C9 C6 C5 -158.0(2) . . . .
C12 C9 C6 C5 -38.5(3) . . . .
C10 C9 C12 C17 17.1(4) . . . .
C11 C9 C12 C17 -100.2(3) . . . .
C6 C9 C12 C17 136.8(3) . . . .
C10 C9 C12 C13 -166.3(2) . . . .
C11 C9 C12 C13 76.4(3) . . . .
C6 C9 C12 C13 -46.5(3) . . . .
C7 C6 C5 C4 -0.2(4) . . . .
C9 C6 C5 C4 -176.0(3) . . . .
O4 C15 C14 C13 178.1(2) . . . .
C16 C15 C14 C13 -1.0(4) . . . .
C2 O3 C3 C8 -3.0(4) . . . .
C2 O3 C3 C4 177.2(3) . . . .
C7 C8 C3 O3 -179.7(3) . . . .
C7 C8 C3 C4 0.1(4) . . . .
C6 C5 C4 C3 0.1(5) . . . .
O3 C3 C4 C5 179.7(3) . . . .
C8 C3 C4 C5 -0.1(4) . . . .
C11 C9 C10 F2 167.7(2) . . . .
C12 C9 C10 F2 51.5(3) . . . .
C6 C9 C10 F2 -71.7(3) . . . .
C11 C9 C10 F3 -73.6(3) . . . .
C12 C9 C10 F3 170.3(2) . . . .
C6 C9 C10 F3 47.0(3) . . . .
C11 C9 C10 F1 46.8(3) . . . .
C12 C9 C10 F1 -69.4(3) . . . .
C6 C9 C10 F1 167.4(2) . . . .
C15 C16 C17 C12 -1.0(5) . . . .
C13 C12 C17 C16 -0.1(4) . . . .
C9 C12 C17 C16 176.6(3) . . . .
C15 C14 C13 C12 -0.1(4) . . . .
C17 C12 C13 C14 0.7(4) . . . .
C9 C12 C13 C14 -176.2(2) . . . .
C5 C6 C7 C8 0.2(4) . . . .
C9 C6 C7 C8 175.8(3) . . . .
C3 C8 C7 C6 -0.2(4) . . . .
C20 N1 C24 C23 -2.9(4) . . . .
Mn1 N1 C24 C23 170.9(2) . . . .
N1 C24 C23 C22 0.6(5) . . . .
C24 C23 C22 C21 1.6(4) . . . .
C24 C23 C22 C25 -178.0(3) . . . .
C26 C25 C22 C23 -148.2(3) . . . .
C29 C25 C22 C23 30.6(4) . . . .
C26 C25 C22 C21 32.3(4) . . . .
C29 C25 C22 C21 -148.9(3) . . . .
C24 N1 C20 C21 3.1(5) . . . .
Mn1 N1 C20 C21 -170.7(2) . . . .
C26 C25 C29 C28 2.9(4) . . . .
C22 C25 C29 C28 -175.9(3) . . . .
N1 C20 C21 C22 -1.0(5) . . . .
C23 C22 C21 C20 -1.4(4) . . . .
C25 C22 C21 C20 178.1(3) . . . .
C29 C25 C26 C27 -2.4(5) . . . .
C22 C25 C26 C27 176.5(3) . . . .
C16 C15 O4 C18 -179.6(2) . . . .
C14 C15 O4 C18 1.3(4) . . . .
C19 C18 O4 C15 78.3(3) . . . .
C27 N2 C28 C29 -2.5(4) . . . .
Mn1 N2 C28 C29 176.6(2) 4_565 . . .
C25 C29 C28 N2 -0.5(4) . . . .
C28 N2 C27 C26 3.1(5) . . . .
Mn1 N2 C27 C26 -176.0(3) 4_565 . . .
C25 C26 C27 N2 -0.7(5) . . . .
O1 C1 O2 Mn1 119.4(3) . . . 3_666
C2 C1 O2 Mn1 -64.2(3) . . . 3_666
