#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:16:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179102 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/64/4306496.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_4306496
loop_
_publ_author_name
'Haitao Zhang'
'Bo Li'
'Jinyu Sun'
'Rodolphe Clérac'
'Evgeny V. Dikarev'
_publ_section_title
;
Fluorinated β-Diketonates of the First Row Divalent Transition Metals: New
Approach to the Synthesis of Unsolvated Species
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10046
_journal_page_last               10052
_journal_paper_doi               10.1021/ic801320p
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
;
 Mn3 (C F3 C O C H C O C F3)6
;
_chemical_formula_sum            'C30 H6 F36 Mn3 O12'
_chemical_formula_weight         1407.17
_chemical_melting_point          ?
_chemical_name_systematic
; 
 hexa(hexafluoroacetylacetonate)-trimanganese(II,II,II) 
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.942(17)
_cell_angle_beta                 109.942(17)
_cell_angle_gamma                109.942(17)
_cell_formula_units_Z            1
_cell_length_a                   11.1975(13)
_cell_length_b                   11.1975(13)
_cell_length_c                   11.1975(13)
_cell_measurement_reflns_used    4671
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.22
_cell_volume                     1061.5(5)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide ω exposures'
_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  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0148
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8469
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    1.098
_exptl_absorpt_correction_T_max  0.9271
_exptl_absorpt_correction_T_min  0.8795
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.201
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             681
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.295
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     69
_refine_ls_number_reflns         866
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.200
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0261P)²+2.4718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1296
_reflns_number_gt                728
_reflns_number_total             866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801320p_si_001_2.cif
_cod_data_source_block           Mn3(CF3COCHCOCF3)6_(1)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1061.5(2)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               4306496
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'-y+1/2, -x+1/2, -z+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'-x, -y, -z'
'-z, -x, -y'
'-y, -z, -x'
'y-1/2, x-1/2, z-1/2'
'x-1/2, z-1/2, y-1/2'
'z-1/2, y-1/2, x-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
Mn1 Mn 0.0000 0.0000 0.0000 0.0309(5) Uani 0.50 6 d SP . .
Mn2 Mn 0.28430(13) 0.28430(13) 0.28430(13) 0.0282(4) Uani 0.50 3 d SP . .
O1 O 0.072(2) 0.236(3) 0.1136(18) 0.0319(18) Uani 0.50 1 d P . .
O1X O 0.051(2) 0.238(3) 0.0789(18) 0.0319(18) Uani 0.50 1 d P . .
C1 C -0.1172(5) 0.2875(4) -0.0243(4) 0.0489(9) Uani 1 1 d . . .
F1 F -0.0626(3) 0.3383(3) -0.0974(3) 0.0735(9) Uani 1 1 d . . .
F2 F -0.1947(3) 0.3470(3) 0.0023(3) 0.0696(8) Uani 1 1 d . . .
F3 F -0.2097(3) 0.1424(3) -0.1178(3) 0.0678(8) Uani 1 1 d . . .
C2 C 0.0099(4) 0.3215(4) 0.1165(4) 0.0377(8) Uani 1 1 d . . .
C3 C 0.0581(3) 0.4419(3) 0.2500 0.0365(10) Uani 1 2 d SD . .
H3 H 0.0067(11) 0.4933(11) 0.2500 0.044 Uiso 1 2 d SD . .
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_
_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
_geom_angle_publ_flag
O1 Mn1 O1 76.4(6) 9 8 ?
O1 Mn1 O1 180.0(7) 9 3 ?
O1 Mn1 O1 103.6(6) 8 3 ?
O1 Mn1 O1 103.6(6) 9 . ?
O1 Mn1 O1 103.6(6) 8 . ?
O1 Mn1 O1 76.4(6) 3 . ?
O1 Mn1 O1 76.4(6) 9 7 ?
O1 Mn1 O1 76.4(6) 8 7 ?
O1 Mn1 O1 103.6(6) 3 7 ?
O1 Mn1 O1 180.0(16) . 7 ?
O1 Mn1 O1 103.6(6) 9 2 ?
O1 Mn1 O1 180.0(14) 8 2 ?
O1 Mn1 O1 76.4(6) 3 2 ?
O1 Mn1 O1 76.4(6) . 2 ?
O1 Mn1 O1 103.6(6) 7 2 ?
O1 Mn1 O1X 9.7(6) 9 9 ?
O1 Mn1 O1X 79.7(8) 8 9 ?
O1 Mn1 O1X 170.3(6) 3 9 ?
O1 Mn1 O1X 94.0(7) . 9 ?
O1 Mn1 O1X 86.0(7) 7 9 ?
O1 Mn1 O1X 100.3(8) 2 9 ?
O1 Mn1 O1X 86.0(7) 9 8 ?
O1 Mn1 O1X 9.7(6) 8 8 ?
O1 Mn1 O1X 94.0(7) 3 8 ?
O1 Mn1 O1X 100.3(8) . 8 ?
O1 Mn1 O1X 79.7(8) 7 8 ?
O1 Mn1 O1X 170.3(6) 2 8 ?
O1X Mn1 O1X 89.0(5) 9 8 ?
O1 Mn1 O1X 100.3(8) 9 . ?
O1 Mn1 O1X 94.0(7) 8 . ?
O1 Mn1 O1X 79.7(8) 3 . ?
O1 Mn1 O1X 9.7(6) . . ?
O1 Mn1 O1X 170.3(6) 7 . ?
O1 Mn1 O1X 86.0(7) 2 . ?
O1X Mn1 O1X 91.0(5) 9 . ?
O1X Mn1 O1X 91.0(5) 8 . ?
O1 Mn1 O1X 79.7(8) 9 7 ?
O1 Mn1 O1X 86.0(7) 8 7 ?
O1 Mn1 O1X 100.3(8) 3 7 ?
O1 Mn1 O1X 170.3(6) . 7 ?
O1 Mn1 O1X 9.7(6) 7 7 ?
O1 Mn1 O1X 94.0(7) 2 7 ?
O1X Mn1 O1X 89.0(5) 9 7 ?
O1X Mn1 O1X 89.0(5) 8 7 ?
O1X Mn1 O1X 180.0(15) . 7 ?
O1 Mn1 O1X 94.0(7) 9 2 ?
O1 Mn1 O1X 170.3(6) 8 2 ?
O1 Mn1 O1X 86.0(7) 3 2 ?
O1 Mn1 O1X 79.7(8) . 2 ?
O1 Mn1 O1X 100.3(8) 7 2 ?
O1 Mn1 O1X 9.7(6) 2 2 ?
O1X Mn1 O1X 91.0(5) 9 2 ?
O1X Mn1 O1X 180.0(15) 8 2 ?
O1X Mn1 O1X 89.0(5) . 2 ?
O1X Mn1 O1X 91.0(5) 7 2 ?
O1 Mn1 O1X 170.3(6) 9 3 ?
O1 Mn1 O1X 100.3(8) 8 3 ?
O1 Mn1 O1X 9.7(6) 3 3 ?
O1 Mn1 O1X 86.0(7) . 3 ?
O1 Mn1 O1X 94.0(7) 7 3 ?
O1 Mn1 O1X 79.7(8) 2 3 ?
O1X Mn1 O1X 180.0(4) 9 3 ?
O1X Mn1 O1X 91.0(5) 8 3 ?
O1X Mn1 O1X 89.0(5) . 3 ?
O1X Mn1 O1X 91.0(5) 7 3 ?
O1X Mn1 O1X 89.0(5) 2 3 ?
O1 Mn1 Mn2 45.6(4) 9 10 ?
O1 Mn1 Mn2 45.6(4) 8 10 ?
O1 Mn1 Mn2 134.4(4) 3 10 ?
O1 Mn1 Mn2 134.4(4) . 10 ?
O1 Mn1 Mn2 45.6(4) 7 10 ?
O1 Mn1 Mn2 134.4(4) 2 10 ?
O1X Mn1 Mn2 54.0(4) 9 10 ?
O1X Mn1 Mn2 54.0(4) 8 10 ?
O1X Mn1 Mn2 126.0(4) . 10 ?
O1X Mn1 Mn2 54.0(4) 7 10 ?
O1X Mn1 Mn2 126.0(4) 2 10 ?
O1X Mn1 Mn2 126.0(4) 3 10 ?
O1 Mn1 Mn2 134.4(4) 9 4 ?
O1 Mn1 Mn2 134.4(4) 8 4 ?
O1 Mn1 Mn2 45.6(4) 3 4 ?
O1 Mn1 Mn2 45.6(4) . 4 ?
O1 Mn1 Mn2 134.4(4) 7 4 ?
O1 Mn1 Mn2 45.6(4) 2 4 ?
O1X Mn1 Mn2 126.0(4) 9 4 ?
O1X Mn1 Mn2 126.0(4) 8 4 ?
O1X Mn1 Mn2 54.0(4) . 4 ?
O1X Mn1 Mn2 126.0(4) 7 4 ?
O1X Mn1 Mn2 54.0(4) 2 4 ?
O1X Mn1 Mn2 54.0(4) 3 4 ?
Mn2 Mn1 Mn2 180.0 10 4 ?
O1 Mn1 Mn2 45.6(4) 9 7 ?
O1 Mn1 Mn2 45.6(4) 8 7 ?
O1 Mn1 Mn2 134.4(4) 3 7 ?
O1 Mn1 Mn2 134.4(4) . 7 ?
O1 Mn1 Mn2 45.6(4) 7 7 ?
O1 Mn1 Mn2 134.4(4) 2 7 ?
O1X Mn1 Mn2 54.0(4) 9 7 ?
O1X Mn1 Mn2 54.0(4) 8 7 ?
O1X Mn1 Mn2 126.0(4) . 7 ?
O1X Mn1 Mn2 54.0(4) 7 7 ?
O1X Mn1 Mn2 126.0(4) 2 7 ?
O1X Mn1 Mn2 126.0(4) 3 7 ?
Mn2 Mn1 Mn2 0.00(11) 10 7 ?
Mn2 Mn1 Mn2 180.000(8) 4 7 ?
Mn2 Mn2 O1 117.6(7) 4 4 ?
Mn2 Mn2 O1 117.6(7) 4 6 ?
O1 Mn2 O1 100.3(9) 4 6 ?
Mn2 Mn2 O1 117.6(7) 4 5 ?
O1 Mn2 O1 100.3(9) 4 5 ?
O1 Mn2 O1 100.3(9) 6 5 ?
Mn2 Mn2 O1X 118.8(6) 4 5 ?
O1 Mn2 O1X 95.1(11) 4 5 ?
O1 Mn2 O1X 103.7(10) 6 5 ?
O1 Mn2 O1X 5.7(13) 5 5 ?
Mn2 Mn2 O1X 118.8(6) 4 4 ?
O1 Mn2 O1X 5.7(13) 4 4 ?
O1 Mn2 O1X 95.1(11) 6 4 ?
O1 Mn2 O1X 103.7(10) 5 4 ?
O1X Mn2 O1X 98.7(8) 5 4 ?
Mn2 Mn2 O1X 118.8(6) 4 6 ?
O1 Mn2 O1X 103.7(10) 4 6 ?
O1 Mn2 O1X 5.7(13) 6 6 ?
O1 Mn2 O1X 95.1(11) 5 6 ?
O1X Mn2 O1X 98.7(8) 5 6 ?
O1X Mn2 O1X 98.7(8) 4 6 ?
Mn2 Mn2 O1 45.0(6) 4 3 ?
O1 Mn2 O1 151.6(10) 4 3 ?
O1 Mn2 O1 108.0(13) 6 3 ?
O1 Mn2 O1 78.2(13) 5 3 ?
O1X Mn2 O1 81.5(2) 5 3 ?
O1X Mn2 O1 156.2(8) 4 3 ?
O1X Mn2 O1 104.7(2) 6 3 ?
Mn2 Mn2 O1 45.0(6) 4 2 ?
O1 Mn2 O1 108.0(13) 4 2 ?
O1 Mn2 O1 78.2(13) 6 2 ?
O1 Mn2 O1 151.6(10) 5 2 ?
O1X Mn2 O1 156.2(8) 5 2 ?
O1X Mn2 O1 104.7(2) 4 2 ?
O1X Mn2 O1 81.5(2) 6 2 ?
O1 Mn2 O1 75.5(9) 3 2 ?
Mn2 Mn2 O1 45.0(6) 4 . ?
O1 Mn2 O1 78.2(13) 4 . ?
O1 Mn2 O1 151.6(10) 6 . ?
O1 Mn2 O1 108.0(13) 5 . ?
O1X Mn2 O1 104.7(2) 5 . ?
O1X Mn2 O1 81.5(2) 4 . ?
O1X Mn2 O1 156.2(8) 6 . ?
O1 Mn2 O1 75.5(9) 3 . ?
O1 Mn2 O1 75.5(9) 2 . ?
Mn2 Mn2 Mn1 180.0(7) 4 4 ?
O1 Mn2 Mn1 62.4(7) 4 4 ?
O1 Mn2 Mn1 62.4(7) 6 4 ?
O1 Mn2 Mn1 62.4(7) 5 4 ?
O1X Mn2 Mn1 61.2(6) 5 4 ?
O1X Mn2 Mn1 61.2(6) 4 4 ?
O1X Mn2 Mn1 61.2(6) 6 4 ?
O1 Mn2 Mn1 135.0(6) 3 4 ?
O1 Mn2 Mn1 135.0(6) 2 4 ?
O1 Mn2 Mn1 135.0(6) . 4 ?
Mn2 Mn2 O1X 46.3(5) 4 2 ?
O1 Mn2 O1X 103.3(3) 4 2 ?
O1 Mn2 O1X 79.4(3) 6 2 ?
O1 Mn2 O1X 156.1(8) 5 2 ?
O1X Mn2 O1X 160.5(7) 5 2 ?
O1X Mn2 O1X 100.1(11) 4 2 ?
O1X Mn2 O1X 83.1(11) 6 2 ?
O1 Mn2 O1X 79.3(7) 3 2 ?
O1 Mn2 O1X 4.7(11) 2 2 ?
O1 Mn2 O1X 73.5(7) . 2 ?
Mn1 Mn2 O1X 133.7(5) 4 2 ?
Mn2 Mn2 O1X 46.3(5) 4 . ?
O1 Mn2 O1X 79.4(3) 4 . ?
O1 Mn2 O1X 156.1(8) 6 . ?
O1 Mn2 O1X 103.3(3) 5 . ?
O1X Mn2 O1X 100.1(11) 5 . ?
O1X Mn2 O1X 83.1(11) 4 . ?
O1X Mn2 O1X 160.5(7) 6 . ?
O1 Mn2 O1X 73.5(7) 3 . ?
O1 Mn2 O1X 79.3(7) 2 . ?
O1 Mn2 O1X 4.7(11) . . ?
Mn1 Mn2 O1X 133.7(5) 4 . ?
O1X Mn2 O1X 77.5(8) 2 . ?
Mn2 Mn2 O1X 46.3(5) 4 3 ?
O1 Mn2 O1X 156.1(8) 4 3 ?
O1 Mn2 O1X 103.3(3) 6 3 ?
O1 Mn2 O1X 79.4(3) 5 3 ?
O1X Mn2 O1X 83.1(11) 5 3 ?
O1X Mn2 O1X 160.5(7) 4 3 ?
O1X Mn2 O1X 100.1(11) 6 3 ?
O1 Mn2 O1X 4.7(11) 3 3 ?
O1 Mn2 O1X 73.5(7) 2 3 ?
O1 Mn2 O1X 79.3(7) . 3 ?
Mn1 Mn2 O1X 133.7(5) 4 3 ?
O1X Mn2 O1X 77.5(8) 2 3 ?
O1X Mn2 O1X 77.5(8) . 3 ?
Mn2 Mn2 C2 104.04(7) 4 4 ?
O1 Mn2 C2 14.5(7) 4 4 ?
O1 Mn2 C2 112.8(7) 6 4 ?
O1 Mn2 C2 104.1(7) 5 4 ?
O1X Mn2 C2 98.5(6) 5 4 ?
O1X Mn2 C2 18.4(6) 4 4 ?
O1X Mn2 C2 116.7(6) 6 4 ?
O1 Mn2 C2 137.9(6) 3 4 ?
O1 Mn2 C2 102.5(6) 2 4 ?
O1 Mn2 C2 63.7(6) . 4 ?
Mn1 Mn2 C2 75.96(7) 4 4 ?
O1X Mn2 C2 97.9(5) 2 4 ?
O1X Mn2 C2 64.9(5) . 4 ?
O1X Mn2 C2 142.2(5) 3 4 ?
C2 O1 Mn2 146.4(14) . 4 ?
C2 O1 Mn1 138.2(13) . . ?
Mn2 O1 Mn1 72.0(7) 4 . ?
C2 O1 Mn2 129.8(13) . . ?
Mn1 O1 Mn2 89.4(6) . . ?
C2 O1X Mn2 127.8(12) . 4 ?
C2 O1X Mn1 144.7(17) . . ?
Mn2 O1X Mn1 64.8(5) 4 . ?
C2 O1X Mn2 115.7(11) . . ?
Mn1 O1X Mn2 79.7(5) . . ?
C2 O1X Mn2 126.1(13) . 10 ?
Mn2 O1X Mn2 92.3(7) 4 10 ?
Mn2 O1X Mn2 107.2(6) . 10 ?
F2 C1 F3 108.2(3) . . ?
F2 C1 F1 108.0(3) . . ?
F3 C1 F1 105.8(3) . . ?
F2 C1 C2 113.4(3) . . ?
F3 C1 C2 111.5(3) . . ?
F1 C1 C2 109.7(3) . . ?
F2 C1 Mn1 145.5(3) . . ?
F3 C1 Mn1 58.24(19) . . ?
F1 C1 Mn1 106.3(2) . . ?
C2 C1 Mn1 56.45(18) . . ?
C1 F3 Mn1 102.5(2) . . ?
C1 F3 Mn2 140.3(2) . 10 ?
O1X C2 C3 134.9(8) . . ?
O1 C2 C3 120.3(8) . . ?
O1X C2 C1 107.4(7) . . ?
O1 C2 C1 122.2(8) . . ?
C3 C2 C1 117.4(3) . . ?
C3 C2 Mn2 101.4(2) . 4 ?
C1 C2 Mn2 141.2(2) . 4 ?
O1X C2 Mn2 45.0(7) . . ?
C3 C2 Mn2 89.9(2) . . ?
C1 C2 Mn2 151.8(2) . . ?
C3 C2 Mn1 137.7(2) . . ?
C1 C2 Mn1 101.0(2) . . ?
Mn2 C2 Mn1 56.29(8) . . ?
C2 C3 C2 123.0(4) . 4 ?
C2 C3 Mn2 67.0(2) . . ?
C2 C3 Mn2 56.0(2) 4 . ?
C2 C3 Mn2 56.0(2) . 4 ?
C2 C3 Mn2 67.0(2) 4 4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 O1 2.20(2) 9 ?
Mn1 O1 2.20(2) 8 ?
Mn1 O1 2.20(2) 3 ?
Mn1 O1 2.20(2) . ?
Mn1 O1 2.20(2) 7 ?
Mn1 O1 2.20(2) 2 ?
Mn1 O1X 2.28(2) 9 ?
Mn1 O1X 2.28(2) 8 ?
Mn1 O1X 2.28(2) . ?
Mn1 O1X 2.28(2) 7 ?
Mn1 O1X 2.28(2) 2 ?
Mn1 O1X 2.28(2) 3 ?
Mn1 Mn2 2.359(3) 10 ?
Mn1 Mn2 2.359(3) 4 ?
Mn1 Mn2 3.109(3) 7 ?
Mn2 O1 1.772(14) 4 ?
Mn2 O1 1.772(14) 6 ?
Mn2 O1 1.772(14) 5 ?
Mn2 O1X 2.109(13) 5 ?
Mn2 O1X 2.109(13) 4 ?
Mn2 O1X 2.109(13) 6 ?
Mn2 O1 2.221(15) 3 ?
Mn2 O1 2.221(15) 2 ?
Mn2 O1 2.221(15) . ?
Mn2 Mn1 2.359(3) 4 ?
Mn2 O1X 2.557(14) 2 ?
Mn2 O1X 2.557(14) . ?
Mn2 O1X 2.557(14) 3 ?
O1 C2 1.35(2) . ?
O1 Mn2 1.772(14) 4 ?
O1X C2 1.19(2) . ?
O1X Mn2 2.109(13) 4 ?
C1 F2 1.312(5) . ?
C1 F3 1.327(4) . ?
C1 F1 1.338(5) . ?
C1 C2 1.531(5) . ?
C2 C3 1.386(4) . ?
C2 Mn2 2.993(3) 4 ?
C3 C2 1.386(4) 4 ?
C3 Mn2 3.538(5) 4 ?
