#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:31:08 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229114 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/06/7230623.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_7230623
loop_
_publ_author_name
'Gao, Yan-Li'
'Nishihara, Sadafumi'
'Inoue, Katsuya'
_publ_section_title
;
 Synthesis, crystal structures and magnetic properties of six coordination
 compounds constructed with pyridine iminomethyl--TEMPO radicals and
 [M(hfac)2] (M = CuII and MnII)
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              2961
_journal_paper_doi               10.1039/C8CE00061A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C25 H24 F12 Mn N3 O5'
_chemical_formula_weight         729.41
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1yv510
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2018-04-03 deposited with the CCDC.
2018-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.4213(8)
_cell_length_b                   18.1732(8)
_cell_length_c                   19.0497(8)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.12
_cell_measurement_theta_min      3.08
_cell_volume                     6377.3(5)
_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-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_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  0.0335
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            133929
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.372
_diffrn_reflns_theta_min         3.077
_exptl_absorpt_coefficient_mu    0.522
_exptl_absorpt_correction_T_max  0.820
_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_description       block
_exptl_crystal_F_000             2944
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.678
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         7955
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1241P)²+6.7190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2124
_refine_ls_wR_factor_ref         0.2461
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5414
_reflns_number_total             7955
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00061a1.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7230622--7230627.cif.'
_cod_database_code               7230623
_shelx_shelxl_version_number     2018/1
_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_min   0.903
_shelx_estimated_absorpt_t_max   0.935
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, 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_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
Mn1 Mn 0.21139(3) 0.37877(3) 0.22946(3) 0.05061(19) Uani 1 1 d . . . . .
F1 F 0.0017(3) 0.2779(2) 0.0503(2) 0.1536(17) Uani 1 1 d . . . . .
F3 F 0.0899(3) 0.2097(3) 0.0652(4) 0.195(3) Uani 1 1 d . . . . .
F4 F 0.0797(2) 0.5225(3) 0.0155(2) 0.1543(18) Uani 1 1 d . . . . .
F5 F 0.1849(7) 0.4986(7) -0.0042(7) 0.158(6) Uani 0.5 1 d . U P A -1
O4 O 0.13939(13) 0.43055(17) 0.30543(16) 0.0721(7) Uani 1 1 d . . . . .
F11 F 0.2204(3) 0.2071(3) 0.4390(3) 0.194(3) Uani 1 1 d . . . . .
F12 F 0.3192(3) 0.2383(3) 0.4020(3) 0.191(3) Uani 1 1 d . . . . .
F7 F 0.0812(3) 0.5390(3) 0.3736(3) 0.177(2) Uani 1 1 d . . . . .
F9 F 0.0410(3) 0.4580(4) 0.4326(4) 0.216(3) Uani 1 1 d . . . . .
F8 F 0.1376(3) 0.5096(4) 0.4630(3) 0.232(3) Uani 1 1 d . U . . .
O3 O 0.18169(15) 0.45434(14) 0.14880(16) 0.0712(7) Uani 1 1 d . . . . .
O2 O 0.13014(14) 0.31108(15) 0.17626(14) 0.0662(7) Uani 1 1 d . . . . .
O5 O 0.22861(14) 0.30380(14) 0.31416(13) 0.0626(6) Uani 1 1 d . . . . .
F10 F 0.2738(4) 0.2906(3) 0.4874(3) 0.204(3) Uani 1 1 d . U . . .
N2 N 0.49602(18) 0.66089(18) 0.32693(19) 0.0704(9) Uani 1 1 d . . . . .
O1 O 0.29337(15) 0.44983(17) 0.2681(2) 0.0855(10) Uani 1 1 d . . . . .
C8 C 0.4050(3) 0.4097(3) 0.3474(3) 0.1032(18) Uani 1 1 d . . . . .
H8A H 0.372313 0.425646 0.383595 0.155 Uiso 1 1 calc R U . . .
H8B H 0.450948 0.397086 0.367853 0.155 Uiso 1 1 calc R U . . .
H8C H 0.385046 0.367379 0.324173 0.155 Uiso 1 1 calc R U . . .
N3 N 0.30023(15) 0.32284(15) 0.16621(15) 0.0535(6) Uani 1 1 d . . . . .
C19 C 0.14116(19) 0.4463(2) 0.0970(2) 0.0647(9) Uani 1 1 d . . . . .
C18 C 0.1006(2) 0.3856(3) 0.0793(2) 0.0733(11) Uani 1 1 d . . . . .
H18 H 0.073356 0.386781 0.038218 0.088 Uiso 1 1 calc R U . . .
C17 C 0.0987(2) 0.3227(2) 0.12019(19) 0.0616(9) Uani 1 1 d . . . . .
C16 C 0.0516(3) 0.2587(3) 0.0945(3) 0.0867(13) Uani 1 1 d . . . . .
C20 C 0.1415(3) 0.5118(4) 0.0465(3) 0.1025(14) Uani 1 1 d . U . . .
C22 C 0.1451(2) 0.4262(3) 0.3697(3) 0.0767(12) Uani 1 1 d . . . . .
C23 C 0.1829(3) 0.3739(3) 0.4091(2) 0.0824(12) Uani 1 1 d . . . . .
H23 H 0.182768 0.377514 0.457787 0.099 Uiso 1 1 calc R U . . .
C24 C 0.2203(2) 0.3176(2) 0.3779(2) 0.0682(10) Uani 1 1 d . . . . .
C25 C 0.2579(4) 0.2641(3) 0.4273(3) 0.0998(16) Uani 1 1 d . . . . .
C21 C 0.1049(4) 0.4848(5) 0.4124(4) 0.131(3) Uani 1 1 d . . . . .
N1 N 0.34223(15) 0.49893(15) 0.27459(16) 0.0572(7) Uani 1 1 d . . . . .
C1 C 0.3266(3) 0.5732(2) 0.2477(4) 0.0962(17) Uani 1 1 d . . . . .
C2 C 0.3778(3) 0.6286(2) 0.2831(4) 0.0945(17) Uani 1 1 d . . . . .
H2A H 0.375451 0.674554 0.257347 0.113 Uiso 1 1 calc R U . . .
H2B H 0.360037 0.637998 0.330174 0.113 Uiso 1 1 calc R U . . .
C3 C 0.4554(2) 0.6054(2) 0.2879(2) 0.0649(9) Uani 1 1 d . . . . .
H3 H 0.476099 0.598861 0.240854 0.078 Uiso 1 1 calc R U . . .
C10 C 0.5531(2) 0.68642(19) 0.2997(2) 0.0603(8) Uani 1 1 d . . . . .
H10 H 0.568029 0.669436 0.255958 0.072 Uiso 1 1 calc R U . . .
C11 C 0.40346(18) 0.24269(18) 0.16389(18) 0.0549(8) Uani 1 1 d . . . . .
C4 C 0.4585(2) 0.5346(2) 0.3282(2) 0.0706(10) Uani 1 1 d . . . . .
H4A H 0.439763 0.543118 0.375068 0.085 Uiso 1 1 calc R U . . .
H4B H 0.508810 0.519633 0.332687 0.085 Uiso 1 1 calc R U . . .
C5 C 0.41543(19) 0.47130(19) 0.2945(2) 0.0603(8) Uani 1 1 d . . . . .
C9 C 0.4535(2) 0.4404(3) 0.2318(3) 0.1016(18) Uani 1 1 d . . . . .
H9A H 0.423723 0.403133 0.210613 0.152 Uiso 1 1 calc R U . . .
H9B H 0.498895 0.419291 0.245976 0.152 Uiso 1 1 calc R U . . .
H9C H 0.462158 0.479026 0.198407 0.152 Uiso 1 1 calc R U . . .
C7 C 0.3362(5) 0.5729(4) 0.1687(4) 0.165(4) Uani 1 1 d . . . . .
H7A H 0.386987 0.571765 0.157544 0.247 Uiso 1 1 calc R U . . .
H7B H 0.314723 0.616480 0.149219 0.247 Uiso 1 1 calc R U . . .
H7C H 0.312883 0.530238 0.149318 0.247 Uiso 1 1 calc R U . . .
C6 C 0.2488(3) 0.5912(3) 0.2681(6) 0.178(5) Uani 1 1 d . . . . .
H6A H 0.216175 0.559513 0.242956 0.268 Uiso 1 1 calc R U . . .
H6B H 0.238441 0.641531 0.256618 0.268 Uiso 1 1 calc R U . . .
H6C H 0.242611 0.583832 0.317660 0.268 Uiso 1 1 calc R U . . .
C14 C 0.3202(2) 0.3478(2) 0.10354(19) 0.0651(9) Uani 1 1 d . . . . .
H14 H 0.291555 0.383520 0.082240 0.078 Uiso 1 1 calc R U . . .
C13 C 0.3804(3) 0.3239(3) 0.0688(2) 0.0764(12) Uani 1 1 d . . . . .
H13 H 0.392744 0.343720 0.025417 0.092 Uiso 1 1 calc R U . . .
C12 C 0.4226(2) 0.2703(2) 0.0988(2) 0.0714(10) Uani 1 1 d . . . . .
H12 H 0.463523 0.252723 0.075733 0.086 Uiso 1 1 calc R U . . .
C15 C 0.34168(17) 0.27053(16) 0.19541(18) 0.0518(7) Uani 1 1 d . . . . .
H15 H 0.328222 0.252054 0.239041 0.062 Uiso 1 1 calc R U . . .
F2 F 0.0182(3) 0.2262(3) 0.1437(2) 0.190(3) Uani 1 1 d . . . . .
F13 F 0.1429(3) 0.5747(3) 0.0835(3) 0.1524(14) Uani 1 1 d . U . . .
F14 F 0.1993(6) 0.5350(8) 0.0265(9) 0.168(7) Uani 0.5 1 d . . P A 1
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'
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'
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_
_citation_id
_citation_doi
_citation_year
1 10.1039/c8ce00061a 2018
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 Mn1 O3 92.32(12) . .
O1 Mn1 O5 91.19(12) . .
O3 Mn1 O5 173.48(11) . .
O1 Mn1 O4 86.56(12) . .
O3 Mn1 O4 92.54(12) . .
O5 Mn1 O4 82.18(11) . .
O1 Mn1 O2 172.63(13) . .
O3 Mn1 O2 81.53(10) . .
O5 Mn1 O2 95.33(10) . .
O4 Mn1 O2 97.71(11) . .
O1 Mn1 N3 86.76(12) . .
O3 Mn1 N3 95.21(11) . .
O5 Mn1 N3 90.47(10) . .
O4 Mn1 N3 169.96(10) . .
O2 Mn1 N3 89.74(11) . .
F14 F5 C20 64.2(12) . .
C22 O4 Mn1 125.5(3) . .
C19 O3 Mn1 130.4(3) . .
C17 O2 Mn1 128.8(3) . .
C24 O5 Mn1 126.0(3) . .
C10 N2 C3 118.1(4) . .
N1 O1 Mn1 164.7(3) . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C14 N3 C15 117.2(3) . .
C14 N3 Mn1 121.5(2) . .
C15 N3 Mn1 120.5(2) . .
O3 C19 C18 127.9(4) . .
O3 C19 C20 113.8(4) . .
C18 C19 C20 118.2(4) . .
C19 C18 C17 122.6(4) . .
C19 C18 H18 118.7 . .
C17 C18 H18 118.7 . .
O2 C17 C18 128.2(4) . .
O2 C17 C16 114.3(4) . .
C18 C17 C16 117.5(4) . .
F2 C16 F3 105.7(6) . .
F2 C16 F1 105.2(5) . .
F3 C16 F1 107.3(5) . .
F2 C16 C17 113.1(4) . .
F3 C16 C17 111.1(5) . .
F1 C16 C17 113.8(4) . .
F14 C20 F5 43.6(9) . .
F14 C20 F4 125.4(8) . .
F5 C20 F4 103.5(9) . .
F14 C20 F13 81.4(9) . .
F5 C20 F13 123.1(8) . .
F4 C20 F13 97.3(5) . .
F14 C20 C19 118.3(8) . .
F5 C20 C19 109.4(7) . .
F4 C20 C19 113.5(5) . .
F13 C20 C19 109.4(5) . .
O4 C22 C23 128.4(4) . .
O4 C22 C21 116.2(5) . .
C23 C22 C21 115.5(5) . .
C24 C23 C22 121.8(4) . .
C24 C23 H23 119.1 . .
C22 C23 H23 119.1 . .
O5 C24 C23 129.3(4) . .
O5 C24 C25 114.6(4) . .
C23 C24 C25 116.1(4) . .
F11 C25 F10 106.1(6) . .
F11 C25 F12 104.0(6) . .
F10 C25 F12 105.4(7) . .
F11 C25 C24 112.6(6) . .
F10 C25 C24 114.7(5) . .
F12 C25 C24 113.2(4) . .
F8 C21 F7 109.4(8) . .
F8 C21 F9 110.0(7) . .
F7 C21 F9 98.3(5) . .
F8 C21 C22 115.9(5) . .
F7 C21 C22 112.7(6) . .
F9 C21 C22 109.1(7) . .
O1 N1 C1 118.1(3) . .
O1 N1 C5 115.4(3) . .
C1 N1 C5 125.1(3) . .
N1 C1 C7 108.7(5) . .
N1 C1 C6 107.0(5) . .
C7 C1 C6 111.4(6) . .
N1 C1 C2 109.2(4) . .
C7 C1 C2 111.6(5) . .
C6 C1 C2 109.0(5) . .
C3 C2 C1 115.4(4) . .
C3 C2 H2A 108.4 . .
C1 C2 H2A 108.4 . .
C3 C2 H2B 108.4 . .
C1 C2 H2B 108.4 . .
H2A C2 H2B 107.5 . .
N2 C3 C2 109.0(3) . .
N2 C3 C4 108.2(3) . .
C2 C3 C4 108.0(3) . .
N2 C3 H3 110.5 . .
C2 C3 H3 110.5 . .
C4 C3 H3 110.5 . .
N2 C10 C11 121.0(4) . 4_655
N2 C10 H10 119.5 . .
C11 C10 H10 119.5 4_655 .
C12 C11 C15 117.8(3) . .
C12 C11 C10 122.4(3) . 4_645
C15 C11 C10 119.8(3) . 4_645
C3 C4 C5 114.1(3) . .
C3 C4 H4A 108.7 . .
C5 C4 H4A 108.7 . .
C3 C4 H4B 108.7 . .
C5 C4 H4B 108.7 . .
H4A C4 H4B 107.6 . .
N1 C5 C9 110.3(4) . .
N1 C5 C8 107.6(3) . .
C9 C5 C8 108.3(4) . .
N1 C5 C4 108.8(3) . .
C9 C5 C4 111.9(3) . .
C8 C5 C4 109.9(3) . .
C5 C9 H9A 109.5 . .
C5 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C5 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C1 C7 H7A 109.5 . .
C1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C1 C6 H6A 109.5 . .
C1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N3 C14 C13 123.6(3) . .
N3 C14 H14 118.2 . .
C13 C14 H14 118.2 . .
C14 C13 C12 119.0(4) . .
C14 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
C13 C12 C11 119.2(4) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
N3 C15 C11 123.2(3) . .
N3 C15 H15 118.4 . .
C11 C15 H15 118.4 . .
F5 F14 C20 72.2(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.119(3) .
Mn1 O3 2.132(3) .
Mn1 O5 2.135(2) .
Mn1 O4 2.177(3) .
Mn1 O2 2.187(2) .
Mn1 N3 2.272(3) .
F1 C16 1.296(6) .
F3 C16 1.267(7) .
F4 C20 1.298(6) .
F5 F14 0.92(2) .
F5 C20 1.277(12) .
O4 C22 1.232(5) .
F11 C25 1.265(7) .
F12 C25 1.315(8) .
F7 C21 1.307(9) .
F9 C21 1.330(10) .
F8 C21 1.223(7) .
O3 C19 1.247(5) .
O2 C17 1.233(4) .
O5 C24 1.250(5) .
F10 C25 1.276(7) .
N2 C10 1.261(5) .
N2 C3 1.460(5) .
O1 N1 1.274(4) .
C8 C5 1.518(6) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
N3 C14 1.329(5) .
N3 C15 1.340(4) .
C19 C18 1.374(6) .
C19 C20 1.531(7) .
C18 C17 1.383(6) .
C18 H18 0.9300 .
C17 C16 1.532(6) .
C16 F2 1.267(6) .
C20 F14 1.206(11) .
C20 F13 1.344(8) .
C22 C23 1.395(7) .
C22 C21 1.530(7) .
C23 C24 1.368(6) .
C23 H23 0.9300 .
C24 C25 1.521(7) .
N1 C1 1.472(5) .
N1 C5 1.488(4) .
C1 C7 1.514(10) .
C1 C6 1.522(9) .
C1 C2 1.534(6) .
C2 C3 1.494(6) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.499(6) .
C3 H3 0.9800 .
C10 C11 1.472(5) 4_655
C10 H10 0.9300 .
C11 C12 1.382(5) .
C11 C15 1.383(5) .
C4 C5 1.537(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C9 1.495(6) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C14 C13 1.362(6) .
C14 H14 0.9300 .
C13 C12 1.371(6) .
C13 H13 0.9300 .
C12 H12 0.9300 .
C15 H15 0.9300 .
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
Mn1 O3 C19 C18 3.7(6) . .
Mn1 O3 C19 C20 -172.9(3) . .
O3 C19 C18 C17 1.4(7) . .
C20 C19 C18 C17 177.8(4) . .
Mn1 O2 C17 C18 -7.5(6) . .
Mn1 O2 C17 C16 173.0(3) . .
C19 C18 C17 O2 0.9(7) . .
C19 C18 C17 C16 -179.7(4) . .
O2 C17 C16 F2 38.7(7) . .
C18 C17 C16 F2 -140.8(5) . .
O2 C17 C16 F3 -80.0(6) . .
C18 C17 C16 F3 100.6(6) . .
O2 C17 C16 F1 158.7(5) . .
C18 C17 C16 F1 -20.7(7) . .
F14 F5 C20 F4 127.7(15) . .
F14 F5 C20 F13 19.4(18) . .
F14 F5 C20 C19 -111.1(14) . .
O3 C19 C20 F14 50.6(12) . .
C18 C19 C20 F14 -126.3(11) . .
O3 C19 C20 F5 97.5(10) . .
C18 C19 C20 F5 -79.4(10) . .
O3 C19 C20 F4 -147.4(5) . .
C18 C19 C20 F4 35.7(7) . .
O3 C19 C20 F13 -40.0(6) . .
C18 C19 C20 F13 143.1(5) . .
Mn1 O4 C22 C23 -19.5(7) . .
Mn1 O4 C22 C21 161.4(4) . .
O4 C22 C23 C24 -0.3(8) . .
C21 C22 C23 C24 178.8(5) . .
Mn1 O5 C24 C23 17.6(6) . .
Mn1 O5 C24 C25 -161.8(3) . .
C22 C23 C24 O5 1.6(8) . .
C22 C23 C24 C25 -179.0(5) . .
O5 C24 C25 F11 -84.1(7) . .
C23 C24 C25 F11 96.4(6) . .
O5 C24 C25 F10 154.5(6) . .
C23 C24 C25 F10 -25.0(8) . .
O5 C24 C25 F12 33.5(7) . .
C23 C24 C25 F12 -146.0(6) . .
O4 C22 C21 F8 -139.0(8) . .
C23 C22 C21 F8 41.8(11) . .
O4 C22 C21 F7 -11.9(9) . .
C23 C22 C21 F7 168.9(6) . .
O4 C22 C21 F9 96.2(8) . .
C23 C22 C21 F9 -83.0(7) . .
Mn1 O1 N1 C1 48.2(11) . .
Mn1 O1 N1 C5 -118.9(9) . .
O1 N1 C1 C7 -78.4(5) . .
C5 N1 C1 C7 87.3(5) . .
O1 N1 C1 C6 41.9(7) . .
C5 N1 C1 C6 -152.4(5) . .
O1 N1 C1 C2 159.7(4) . .
C5 N1 C1 C2 -34.6(7) . .
N1 C1 C2 C3 44.6(7) . .
C7 C1 C2 C3 -75.5(6) . .
C6 C1 C2 C3 161.1(6) . .
C10 N2 C3 C2 -128.2(5) . .
C10 N2 C3 C4 114.5(4) . .
C1 C2 C3 N2 -176.0(5) . .
C1 C2 C3 C4 -58.6(6) . .
C3 N2 C10 C11 179.8(3) . 4_655
N2 C3 C4 C5 177.9(3) . .
C2 C3 C4 C5 60.0(5) . .
O1 N1 C5 C9 79.2(4) . .
C1 N1 C5 C9 -86.8(5) . .
O1 N1 C5 C8 -38.7(5) . .
C1 N1 C5 C8 155.3(5) . .
O1 N1 C5 C4 -157.7(3) . .
C1 N1 C5 C4 36.2(6) . .
C3 C4 C5 N1 -47.4(5) . .
C3 C4 C5 C9 74.8(5) . .
C3 C4 C5 C8 -165.0(4) . .
C15 N3 C14 C13 -1.1(6) . .
Mn1 N3 C14 C13 169.0(3) . .
N3 C14 C13 C12 1.2(7) . .
C14 C13 C12 C11 -0.9(7) . .
C15 C11 C12 C13 0.5(6) . .
C10 C11 C12 C13 -178.5(4) 4_645 .
C14 N3 C15 C11 0.6(5) . .
Mn1 N3 C15 C11 -169.5(2) . .
C12 C11 C15 N3 -0.4(5) . .
C10 C11 C15 N3 178.6(3) 4_645 .
F4 C20 F14 F5 -70.7(18) . .
F13 C20 F14 F5 -163.6(15) . .
C19 C20 F14 F5 88.9(16) . .
