#------------------------------------------------------------------------------
#$Date: 2017-02-01 06:54:13 +0200 (Wed, 01 Feb 2017) $
#$Revision: 191173 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/19/7041906.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_7041906
loop_
_publ_author_name
'Dulani Dhanapala, B.'
'Mannino, Natalie A.'
'Mendoza, Laura M.'
'Tauni Dissanayake, K.'
'Martin, Philip D.'
'Suescun, Leopoldo'
'Rabuffetti, Federico A.'
_publ_section_title
;
 Synthesis of bimetallic trifluoroacetates through a crystallochemical
 investigation of their monometallic counterparts: the case of (A,
 A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1420
_journal_page_last               1430
_journal_paper_doi               10.1039/c6dt04152c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'Mn2+ 3, C2O2F3 6, H2O 4'
_chemical_formula_sum            'C12 H8 F18 Mn3 O16'
_chemical_formula_weight         915.00
_chemical_properties_physical    ', Deliquescent'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-10-20 deposited with the CCDC.
2017-01-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.694(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0195(5)
_cell_length_b                   9.0431(5)
_cell_length_c                   15.9167(9)
_cell_measurement_reflns_used    1456
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.74
_cell_measurement_theta_min      2.53
_cell_volume                     1298.14(13)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 APEX'
_diffrn_measurement_method       'ω and \j scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4315
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.785
_diffrn_reflns_theta_min         2.559
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.641
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.341
_exptl_crystal_description       block
_exptl_crystal_F_000             890
_exptl_crystal_recrystallization_method 'Crystallized from synthesis flask'
_exptl_crystal_size_max          0.491
_exptl_crystal_size_mid          0.289
_exptl_crystal_size_min          0.125
_refine_diff_density_max         1.199
_refine_diff_density_min         -0.756
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4315
_refine_ls_number_restraints     586
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0380P)²+4.9290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1219
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3639
_reflns_number_total             4315
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04152c2.cif
_cod_data_source_block           MnTFA2-final-100k-5-model2
_cod_database_code               7041906
_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   0.500
_shelx_estimated_absorpt_t_max   0.821
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Mn1 Mn 0.70458(8) 0.44189(6) 0.29357(3) 0.00863(14) Uani 1 1 d D . . . .
Mn2 Mn 0.5179(9) 0.4968(14) 0.5061(7) 0.0163(10) Uani 0.5 1 d . . P . .
O1A O 0.4164(8) 0.3488(8) 0.4183(5) 0.0183(11) Uani 0.513(8) 1 d D U P A 1
O2A O 0.5043(12) 0.3073(14) 0.2845(6) 0.0118(12) Uani 0.513(8) 1 d D U P A 1
C1A C 0.4120(11) 0.2989(13) 0.3454(6) 0.0183(14) Uani 0.513(8) 1 d D U P A 1
C2A C 0.2649(15) 0.2294(16) 0.3117(9) 0.0280(12) Uani 0.513(8) 1 d D U P A 1
F1A F 0.2391(9) 0.1015(8) 0.3535(6) 0.0280(17) Uani 0.513(8) 1 d D U P A 1
F2A F 0.1472(11) 0.3105(12) 0.3234(7) 0.046(2) Uani 0.513(8) 1 d D U P A 1
F3A F 0.2702(11) 0.1742(13) 0.2302(6) 0.037(2) Uani 0.513(8) 1 d D U P A 1
O1AA O 0.3657(9) 0.3884(9) 0.3976(5) 0.0183(11) Uani 0.487(8) 1 d D U P A 2
O2AA O 0.5136(12) 0.2970(15) 0.2999(6) 0.0118(12) Uani 0.487(8) 1 d D U P A 2
C1AA C 0.3900(12) 0.3143(14) 0.3333(7) 0.0183(14) Uani 0.487(8) 1 d D U P A 2
C2AA C 0.2579(16) 0.2156(16) 0.3094(9) 0.0280(12) Uani 0.487(8) 1 d D U P A 2
F1AA F 0.2137(14) 0.1315(13) 0.3736(7) 0.052(3) Uani 0.487(8) 1 d D U P A 2
F2AA F 0.2821(14) 0.1284(12) 0.2463(7) 0.044(3) Uani 0.487(8) 1 d D U P A 2
F3AA F 0.1450(12) 0.3048(11) 0.2889(6) 0.041(2) Uani 0.487(8) 1 d D U P A 2
O1B O 0.7240(10) 0.3889(9) 0.5133(5) 0.0238(14) Uani 0.551(8) 1 d D U P A 3
O2B O 0.8156(16) 0.305(3) 0.3886(8) 0.0125(17) Uani 0.551(8) 1 d D U P A 3
C1B C 0.8037(18) 0.311(3) 0.4672(8) 0.0267(14) Uani 0.551(8) 1 d D U P A 3
C2B C 0.9332(14) 0.2305(14) 0.5142(7) 0.0361(19) Uani 0.551(8) 1 d D U P A 3
F1B F 0.9046(10) 0.2034(10) 0.5930(5) 0.0356(19) Uani 0.551(8) 1 d D U P A 3
F2B F 0.9716(9) 0.1051(9) 0.4775(5) 0.047(2) Uani 0.551(8) 1 d D U P A 3
F3B F 1.0524(9) 0.3150(9) 0.5148(5) 0.049(2) Uani 0.551(8) 1 d D U P A 3
O1BA O 0.6670(12) 0.3586(12) 0.5045(7) 0.0238(14) Uani 0.449(8) 1 d D U P A 4
O2BA O 0.789(2) 0.299(3) 0.3903(10) 0.0125(17) Uani 0.449(8) 1 d D U P A 4
C1BA C 0.780(2) 0.318(3) 0.4683(10) 0.0267(14) Uani 0.449(8) 1 d D U P A 4
C2BA C 0.9142(16) 0.2674(16) 0.5225(9) 0.0361(19) Uani 0.449(8) 1 d D U P A 4
F1BA F 1.0162(9) 0.1931(12) 0.4773(5) 0.040(2) Uani 0.449(8) 1 d D U P A 4
F2BA F 0.9965(13) 0.3785(12) 0.5499(7) 0.065(3) Uani 0.449(8) 1 d D U P A 4
F3BA F 0.8639(13) 0.1740(14) 0.5839(7) 0.046(3) Uani 0.449(8) 1 d D U P A 4
O1C O 0.7900(5) 0.2707(3) 0.2061(2) 0.0198(6) Uani 1 1 d D U . . .
O2C O 0.8865(5) 0.1122(3) 0.1149(2) 0.0192(6) Uani 1 1 d D U . . .
C1C C 0.8580(7) 0.2401(4) 0.1419(3) 0.0156(6) Uani 1 1 d D U . . .
C2C C 0.9141(6) 0.3710(4) 0.0887(3) 0.0160(7) Uani 1 1 d D U . . .
F1C F 0.8311(7) 0.4901(6) 0.0968(4) 0.0252(15) Uani 0.505(7) 1 d D U P B 5
F2C F 1.0477(7) 0.3972(7) 0.1162(4) 0.0282(16) Uani 0.505(7) 1 d D U P B 5
F3C F 0.9204(7) 0.3389(7) 0.0059(3) 0.0255(15) Uani 0.505(7) 1 d D U P B 5
F1CA F 0.9458(7) 0.4946(6) 0.1356(4) 0.0207(14) Uani 0.495(7) 1 d . U P B 6
F2CA F 1.0375(7) 0.3455(7) 0.0452(4) 0.0245(15) Uani 0.495(7) 1 d . U P B 6
F3CA F 0.8086(7) 0.4096(7) 0.0366(4) 0.0238(15) Uani 0.495(7) 1 d . U P B 6
O1W O 0.9137(9) 0.5520(11) 0.3106(6) 0.0132(12) Uani 0.529(11) 1 d D . P A 7
H1WA H 0.982(5) 0.522(7) 0.342(6) 0.020 Uiso 0.529(11) 1 d D U P A 7
H1WB H 0.941(6) 0.625(8) 0.284(6) 0.020 Uiso 0.529(11) 1 d D U P A 7
O2W O 0.6067(14) 0.543(2) 0.1826(8) 0.016(2) Uani 0.529(11) 1 d D . P A 7
H2WA H 0.652(6) 0.601(10) 0.152(4) 0.024 Uiso 0.529(11) 1 d D U P A 7
H2WB H 0.530(8) 0.515(10) 0.160(5) 0.024 Uiso 0.529(11) 1 d D U P A 7
O1WA O 0.9247(11) 0.5283(11) 0.2776(7) 0.0132(12) Uani 0.471(11) 1 d D . P A 8
H1WC H 0.943(4) 0.616(5) 0.265(8) 0.020 Uiso 0.471(11) 1 d D U P A 8
H1WD H 0.999(3) 0.498(9) 0.304(6) 0.020 Uiso 0.471(11) 1 d D U P A 8
O2WA O 0.5689(17) 0.548(3) 0.2019(11) 0.016(2) Uani 0.471(11) 1 d D . P A 8
H2WC H 0.580(9) 0.630(6) 0.180(6) 0.024 Uiso 0.471(11) 1 d D U P A 8
H2WD H 0.548(13) 0.496(9) 0.150(5) 0.024 Uiso 0.471(11) 1 d D U P A 8
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'
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_
_citation_id
_citation_doi
_citation_year
1 10.1039/C6DT04152C 2017
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
O2WA Mn1 O1WA 106.3(5) . .
O1W Mn1 O2W 104.8(5) . .
O2WA Mn1 O1C 94.9(6) . .
O2BA Mn1 O1C 84.6(6) . .
O1W Mn1 O1C 95.2(3) . .
O1WA Mn1 O1C 81.5(3) . .
O2AA Mn1 O1C 83.7(3) . .
O2W Mn1 O1C 85.7(4) . .
O2A Mn1 O1C 82.1(3) . .
O2B Mn1 O1C 83.1(5) . .
O2WA Mn1 O2C 85.7(5) . 2_655
O2BA Mn1 O2C 94.4(6) . 2_655
O1W Mn1 O2C 85.9(3) . 2_655
O1WA Mn1 O2C 99.8(3) . 2_655
O2AA Mn1 O2C 94.9(3) . 2_655
O2W Mn1 O2C 95.1(4) . 2_655
O2A Mn1 O2C 96.6(3) . 2_655
O2B Mn1 O2C 96.1(5) . 2_655
O1C Mn1 O2C 178.38(10) . 2_655
Mn2 Mn2 O1BA 136(4) 3_666 .
Mn2 Mn2 O1A 118(4) 3_666 3_666
Mn2 Mn2 O1B 148(4) 3_666 .
Mn2 Mn2 O1AA 135(4) 3_666 3_666
Mn2 Mn2 O1BA 37(4) 3_666 3_666
O1BA Mn2 O1BA 172.8(6) . 3_666
Mn2 Mn2 O1A 53(4) 3_666 .
O1A Mn2 O1A 170.9(5) 3_666 .
Mn2 Mn2 O2C 91(4) 3_666 4_566
O1BA Mn2 O2C 95.9(6) . 4_566
O1A Mn2 O2C 89.9(5) 3_666 4_566
O1B Mn2 O2C 102.8(5) . 4_566
O1AA Mn2 O2C 85.5(5) 3_666 4_566
O1BA Mn2 O2C 85.0(5) 3_666 4_566
O1A Mn2 O2C 90.2(5) . 4_566
Mn2 Mn2 O2C 80(4) 3_666 2_655
O1BA Mn2 O2C 90.8(6) . 2_655
O1A Mn2 O2C 94.4(6) 3_666 2_655
O1B Mn2 O2C 85.3(5) . 2_655
O1AA Mn2 O2C 101.0(5) 3_666 2_655
O1BA Mn2 O2C 87.5(5) 3_666 2_655
O1A Mn2 O2C 84.3(5) . 2_655
O2C Mn2 O2C 170.7(3) 4_566 2_655
Mn2 Mn2 O1AA 39(4) 3_666 .
O1AA Mn2 O1AA 173.6(6) 3_666 .
O2C Mn2 O1AA 94.0(4) 4_566 .
O2C Mn2 O1AA 78.8(4) 2_655 .
Mn2 Mn2 O1B 28(4) 3_666 3_666
O1B Mn2 O1B 175.2(6) . 3_666
O2C Mn2 O1B 79.1(4) 4_566 3_666
O2C Mn2 O1B 92.5(4) 2_655 3_666
C1A O1A Mn2 148.0(8) . 3_666
C1A O1A Mn2 147.8(8) . .
C1A O2A Mn1 121.7(8) . .
O1A C1A O2A 131.8(10) . .
O1A C1A C2A 119.0(9) . .
O2A C1A C2A 108.7(9) . .
F2A C2A F1A 105.3(11) . .
F2A C2A F3A 111.8(11) . .
F1A C2A F3A 99.2(10) . .
F2A C2A C1A 114.5(11) . .
F1A C2A C1A 109.0(10) . .
F3A C2A C1A 115.3(11) . .
C1AA O1AA Mn2 140.2(8) . 3_666
C1AA O1AA Mn2 134.9(7) . .
C1AA O2AA Mn1 131.1(10) . .
O1AA C1AA O2AA 125.6(10) . .
O1AA C1AA C2AA 111.9(10) . .
O2AA C1AA C2AA 121.1(11) . .
F2AA C2AA F3AA 108.2(11) . .
F2AA C2AA F1AA 107.5(12) . .
F3AA C2AA F1AA 107.2(13) . .
F2AA C2AA C1AA 114.1(12) . .
F3AA C2AA C1AA 107.3(11) . .
F1AA C2AA C1AA 112.3(11) . .
C1B O1B Mn2 138.1(9) . .
C1B O1B Mn2 133.3(8) . 3_666
C1B O2B Mn1 128.1(14) . .
O1B C1B O2B 131.8(14) . .
O1B C1B C2B 114.4(10) . .
O2B C1B C2B 112.5(11) . .
F1B C2B F3B 105.8(10) . .
F1B C2B F2B 108.6(10) . .
F3B C2B F2B 106.4(10) . .
F1B C2B C1B 113.1(10) . .
F3B C2B C1B 109.7(12) . .
F2B C2B C1B 112.8(11) . .
C1BA O1BA Mn2 145.0(14) . .
C1BA O1BA Mn2 143.0(12) . 3_666
C1BA O2BA Mn1 126.7(19) . .
O1BA C1BA O2BA 124.7(14) . .
O1BA C1BA C2BA 118.3(12) . .
O2BA C1BA C2BA 116.6(13) . .
F2BA C2BA F1BA 99.8(12) . .
F2BA C2BA F3BA 114.9(12) . .
F1BA C2BA F3BA 107.8(12) . .
F2BA C2BA C1BA 113.2(15) . .
F1BA C2BA C1BA 112.6(11) . .
F3BA C2BA C1BA 108.3(15) . .
C1C O1C Mn1 148.9(3) . .
C1C O2C Mn1 109.0(2) . 2_645
C1C O2C Mn2 138.5(4) . 4_665
C1C O2C Mn2 139.5(4) . 2_645
O1C C1C O2C 126.5(3) . .
O1C C1C C2C 116.9(3) . .
O2C C1C C2C 116.5(3) . .
F2C C2C F1C 110.1(5) . .
F3CA C2C F2CA 108.8(5) . .
F2C C2C F3C 108.5(5) . .
F1C C2C F3C 107.5(5) . .
F3CA C2C F1CA 105.9(5) . .
F2CA C2C F1CA 104.7(5) . .
F2C C2C C1C 105.3(5) . .
F3CA C2C C1C 108.2(5) . .
F1C C2C C1C 112.5(4) . .
F2CA C2C C1C 115.6(4) . .
F3C C2C C1C 112.8(4) . .
F1CA C2C C1C 113.2(4) . .
Mn1 O1W H1WA 125(3) . .
Mn1 O1W H1WB 126(3) . .
H1WA O1W H1WB 110(4) . .
Mn1 O2W H2WA 123(3) . .
Mn1 O2W H2WB 124(3) . .
H2WA O2W H2WB 111(4) . .
Mn1 O1WA H1WC 124(3) . .
Mn1 O1WA H1WD 124(3) . .
H1WC O1WA H1WD 106(4) . .
Mn1 O2WA H2WC 129(4) . .
Mn1 O2WA H2WD 118(4) . .
H2WC O2WA H2WD 96(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2WA 2.121(19) .
Mn1 O2BA 2.14(2) .
Mn1 O1W 2.147(9) .
Mn1 O1WA 2.152(10) .
Mn1 O2AA 2.167(12) .
Mn1 O2W 2.168(16) .
Mn1 O2A 2.182(11) .
Mn1 O2B 2.188(18) .
Mn1 O1C 2.226(3) .
Mn1 O2C 2.280(3) 2_655
Mn2 Mn2 0.380(10) 3_666
Mn2 O1BA 1.836(15) .
Mn2 O1A 1.930(13) 3_666
Mn2 O1B 2.101(13) .
Mn2 O1AA 2.118(12) 3_666
Mn2 O1BA 2.125(14) 3_666
Mn2 O1A 2.133(13) .
Mn2 O2C 2.328(14) 4_566
Mn2 O2C 2.362(13) 2_655
Mn2 O1AA 2.402(12) .
Mn2 O1B 2.431(12) 3_666
O1A C1A 1.246(10) .
O1A Mn2 1.930(13) 3_666
O2A C1A 1.287(11) .
C1A C2A 1.558(11) .
C2A F2A 1.305(16) .
C2A F1A 1.355(12) .
C2A F3A 1.390(14) .
O1AA C1AA 1.246(11) .
O1AA Mn2 2.118(12) 3_666
O2AA C1AA 1.250(11) .
C1AA C2AA 1.533(12) .
C2AA F2AA 1.298(15) .
C2AA F3AA 1.337(15) .
C2AA F1AA 1.338(13) .
O1B C1B 1.249(12) .
O1B Mn2 2.431(12) 3_666
O2B C1B 1.258(11) .
C1B C2B 1.562(11) .
C2B F1B 1.306(12) .
C2B F3B 1.319(14) .
C2B F2B 1.324(12) .
O1BA C1BA 1.230(13) .
O1BA Mn2 2.125(14) 3_666
O2BA C1BA 1.258(13) .
C1BA C2BA 1.549(13) .
C2BA F2BA 1.320(15) .
C2BA F1BA 1.352(14) .
C2BA F3BA 1.374(15) .
O1C C1C 1.230(4) .
O2C C1C 1.262(5) .
O2C Mn1 2.280(3) 2_645
O2C Mn2 2.328(14) 4_665
O2C Mn2 2.362(13) 2_645
C1C C2C 1.544(5) .
C2C F2C 1.299(8) .
C2C F3CA 1.302(8) .
C2C F1C 1.318(7) .
C2C F2CA 1.338(7) .
C2C F3C 1.352(7) .
C2C F1CA 1.372(7) .
O1W H1WA 0.83(2) .
O1W H1WB 0.82(2) .
O2W H2WA 0.83(2) .
O2W H2WB 0.82(2) .
O1WA H1WC 0.83(2) .
O1WA H1WD 0.83(2) .
O2WA H2WC 0.827(17) .
O2WA H2WD 0.96(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_4
Mn2 O1A C1A O2A 32(2) 3_666 .
Mn2 O1A C1A O2A 15(3) . .
Mn2 O1A C1A C2A -138.8(13) 3_666 .
Mn2 O1A C1A C2A -156.0(12) . .
Mn1 O2A C1A O1A -6(2) . .
Mn1 O2A C1A C2A 165.6(8) . .
O1A C1A C2A F2A 49.1(16) . .
O2A C1A C2A F2A -123.5(13) . .
O1A C1A C2A F1A -68.6(16) . .
O2A C1A C2A F1A 118.8(13) . .
O1A C1A C2A F3A -179.0(11) . .
O2A C1A C2A F3A 8.3(16) . .
Mn2 O1AA C1AA O2AA -8(2) 3_666 .
Mn2 O1AA C1AA O2AA -13(2) . .
Mn2 O1AA C1AA C2AA 159.0(11) 3_666 .
Mn2 O1AA C1AA C2AA 153.5(9) . .
Mn1 O2AA C1AA O1AA -31(2) . .
Mn1 O2AA C1AA C2AA 162.8(9) . .
O1AA C1AA C2AA F2AA -175.3(12) . .
O2AA C1AA C2AA F2AA -7.7(19) . .
O1AA C1AA C2AA F3AA 64.8(14) . .
O2AA C1AA C2AA F3AA -127.6(14) . .
O1AA C1AA C2AA F1AA -52.7(17) . .
O2AA C1AA C2AA F1AA 114.9(15) . .
Mn2 O1B C1B O2B 27(4) . .
Mn2 O1B C1B O2B 28(4) 3_666 .
Mn2 O1B C1B C2B -166.6(11) . .
Mn2 O1B C1B C2B -165.6(10) 3_666 .
Mn1 O2B C1B O1B 4(4) . .
Mn1 O2B C1B C2B -162.6(13) . .
O1B C1B C2B F1B 27(2) . .
O2B C1B C2B F1B -163.7(19) . .
O1B C1B C2B F3B -90(2) . .
O2B C1B C2B F3B 78(2) . .
O1B C1B C2B F2B 151.2(17) . .
O2B C1B C2B F2B -40(3) . .
Mn2 Mn2 O1BA C1BA 79(7) 3_666 .
O2C Mn2 O1BA C1BA 175(2) 4_566 .
O2C Mn2 O1BA C1BA 2(3) 2_655 .
O2C Mn2 O1BA Mn2 97(6) 4_566 3_666
O2C Mn2 O1BA Mn2 -77(6) 2_655 3_666
Mn2 O1BA C1BA O2BA -50(5) . .
Mn2 O1BA C1BA O2BA -39(5) 3_666 .
Mn2 O1BA C1BA C2BA 137.8(16) . .
Mn2 O1BA C1BA C2BA 149.5(14) 3_666 .
Mn1 O2BA C1BA O1BA 44(5) . .
Mn1 O2BA C1BA C2BA -143.9(17) . .
O1BA C1BA C2BA F2BA -83(3) . .
O2BA C1BA C2BA F2BA 105(3) . .
O1BA C1BA C2BA F1BA 165(2) . .
O2BA C1BA C2BA F1BA -7(3) . .
O1BA C1BA C2BA F3BA 46(3) . .
O2BA C1BA C2BA F3BA -126(3) . .
Mn1 O1C C1C O2C 177.2(5) . .
Mn1 O1C C1C C2C -2.9(13) . .
Mn1 O2C C1C O1C -1.2(9) 2_645 .
Mn2 O2C C1C O1C -175.3(5) 4_665 .
Mn2 O2C C1C O1C 170.6(5) 2_645 .
Mn1 O2C C1C C2C 178.9(4) 2_645 .
Mn2 O2C C1C C2C 4.8(10) 4_665 .
Mn2 O2C C1C C2C -9.3(11) 2_645 .
O1C C1C C2C F2C 92.0(7) . .
O2C C1C C2C F2C -88.1(7) . .
O1C C1C C2C F3CA -87.3(7) . .
O2C C1C C2C F3CA 92.6(7) . .
O1C C1C C2C F1C -28.0(9) . .
O2C C1C C2C F1C 151.9(6) . .
O1C C1C C2C F2CA 150.5(6) . .
O2C C1C C2C F2CA -29.6(9) . .
O1C C1C C2C F3C -149.8(6) . .
O2C C1C C2C F3C 30.1(8) . .
O1C C1C C2C F1CA 29.8(9) . .
O2C C1C C2C F1CA -150.3(6) . .
