#------------------------------------------------------------------------------
#$Date: 2019-11-24 02:35:22 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/65/7236538.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_7236538
loop_
_publ_author_name
'Guntlin, Christoph P.'
'Zünd, Tanja'
'Kravchyk, Kostiantyn V.'
'Wörle, Michael'
'Bodnarchuk, Maryna I.'
'Kovalenko, Maksym V.'
_publ_section_title
;
 Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal
 trifluoroacetates and their Li(Na)-ion storage properties
;
_journal_issue                   16
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              7383
_journal_paper_doi               10.1039/C7TA00862G
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         'C16 H4 F24 Mn2 O16'
_chemical_formula_sum            'C16 H4 F24 Mn2 O16'
_chemical_formula_weight         1018.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2015-05-19
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2016-10-07 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                105.172(2)
_cell_angle_beta                 111.289(2)
_cell_angle_gamma                107.081(2)
_cell_formula_units_Z            2
_cell_length_a                   10.3229(17)
_cell_length_b                   13.518(2)
_cell_length_c                   13.940(2)
_cell_measurement_reflns_used    5640
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.448
_cell_measurement_theta_min      2.235
_cell_volume                     1577.4(4)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'SMART v5.630 (Bruker, 2003)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker Apex I'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device       'fixed chi three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  Parallel,graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16256
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.479
_diffrn_reflns_theta_min         1.722
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           35.0
_diffrn_source_power             1.575
_diffrn_source_target            Mo
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.012
_exptl_absorpt_correction_T_max  0.8621
_exptl_absorpt_correction_T_min  0.6929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0816 before and 0.0399 after correction.
The Ratio of minimum to maximum transmission is 0.8037.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.143
_exptl_crystal_description       plate
_exptl_crystal_F_000             988
_exptl_crystal_recrystallization_method 'from trifluoroacetic acid'
_exptl_crystal_size_max          0.426
_exptl_crystal_size_mid          0.215
_exptl_crystal_size_min          0.133
_refine_diff_density_max         0.915
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         7786
_refine_ls_number_restraints     171
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0473
_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)+(0.0589P)²+1.8305P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1262
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5807
_reflns_number_total             7786
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ta00862g2.cif
_cod_data_source_block           gunt18o05_new3
_cod_original_cell_volume        1577.4(5)
_cod_database_code               7236538
_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.
;
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(O15) = Uanis(O15A)
Uanis(O7) = Uanis(O7A)
2. Rigid body (RIGU) restrains
 C3, C4, F4, F5, F6, F4A, F5A, F6A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C13, C14, F19, F20, F21, F19A, F20A, F21A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C9, C10, F13, F14, F15, F13A, F14A, F15A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
3. Others
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(1)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(1)
 Sof(F13A)=Sof(F14A)=Sof(F15A)=1-FVAR(2)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(2)
 Sof(F19A)=Sof(F20A)=Sof(F21A)=1-FVAR(3)
 Sof(F19)=Sof(F20)=Sof(F21)=FVAR(3)
 Sof(O15A)=1-FVAR(4)
 Sof(O15)=FVAR(4)
 Sof(O7)=1-FVAR(5)
 Sof(O7A)=FVAR(5)
;
_shelx_shelxl_version_number     2014/7
_olex2_exptl_crystal_mounting_method tip-mounted
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 1.01132(5) 0.61949(3) 0.66138(4) 0.01826(11) Uani 1 1 d . . . .
Mn2 Mn 0.84286(5) 0.88104(3) 0.54816(3) 0.01736(11) Uani 1 1 d . . . .
F1 F 1.4342(3) 0.6741(2) 1.05219(17) 0.0458(6) Uani 1 1 d . . . .
F2 F 1.3770(3) 0.52796(17) 0.91264(19) 0.0499(6) Uani 1 1 d . . . .
F3 F 1.5696(2) 0.6836(2) 0.9672(2) 0.0480(6) Uani 1 1 d . . . .
F7 F 0.6233(2) 0.25105(17) 0.5155(2) 0.0431(5) Uani 1 1 d . . . .
F8 F 0.6293(3) 0.1924(2) 0.36172(18) 0.0581(7) Uani 1 1 d . . . .
F9 F 0.7812(3) 0.18235(17) 0.5057(2) 0.0497(6) Uani 1 1 d . . . .
F10 F 0.6062(3) 0.4550(2) 0.3038(2) 0.0588(7) Uani 1 1 d . . . .
F11 F 0.5472(3) 0.42600(16) 0.42795(18) 0.0451(6) Uani 1 1 d . . . .
F12 F 0.4414(2) 0.50485(17) 0.3319(2) 0.0521(7) Uani 1 1 d . . . .
F16 F 0.6691(3) 0.9505(2) 0.8760(2) 0.0566(7) Uani 1 1 d . . . .
F17 F 0.6405(3) 0.78464(19) 0.78857(18) 0.0514(6) Uani 1 1 d . . . .
F18 F 0.8559(3) 0.9039(2) 0.92987(18) 0.0498(6) Uani 1 1 d . . . .
F22 F 1.2173(3) 1.05250(19) 0.8770(2) 0.0568(7) Uani 1 1 d . . . .
F23 F 1.3955(2) 1.00016(17) 0.8846(2) 0.0528(7) Uani 1 1 d . . . .
F24 F 1.3011(3) 1.05971(18) 0.7604(2) 0.0494(6) Uani 1 1 d . . . .
O1 O 1.3840(3) 0.7825(2) 0.9065(2) 0.0501(8) Uani 1 1 d . . . .
H1 H 1.325(6) 0.800(4) 0.869(4) 0.071(17) Uiso 1 1 d . . . .
O2 O 1.2003(2) 0.60572(16) 0.79432(17) 0.0226(4) Uani 1 1 d . . . .
O3 O 0.9295(2) 0.62959(17) 0.78859(18) 0.0258(5) Uani 1 1 d . . . .
O4 O 0.8541(3) 0.45515(19) 0.7847(2) 0.0310(5) Uani 1 1 d . . . .
H4 H 0.866(6) 0.439(5) 0.728(5) 0.081(18) Uiso 1 1 d . . . .
O5 O 0.8884(2) 0.43658(16) 0.60421(17) 0.0209(4) Uani 1 1 d . . . .
O6 O 0.8753(3) 0.3771(2) 0.4353(2) 0.0409(6) Uani 1 1 d . . . .
O8 O 0.6913(2) 0.69935(16) 0.45248(17) 0.0203(4) Uani 1 1 d . . . .
O9 O 0.4786(3) 0.72483(18) 0.30297(19) 0.0279(5) Uani 1 1 d . . . .
H9 H 0.543(6) 0.711(4) 0.345(5) 0.072(17) Uiso 1 1 d . . . .
O10 O 0.6369(2) 0.89866(17) 0.44366(18) 0.0233(4) Uani 1 1 d . . . .
O11 O 0.7609(3) 0.86727(18) 0.67386(18) 0.0306(5) Uani 1 1 d . . . .
O12 O 0.8750(3) 1.04242(18) 0.81148(19) 0.0268(5) Uani 1 1 d . . . .
H12 H 0.914(4) 1.059(3) 0.771(3) 0.038(11) Uiso 1 1 d . . . .
O13 O 0.9492(2) 1.06227(16) 0.65394(17) 0.0204(4) Uani 1 1 d . . . .
O14 O 1.0897(3) 1.12409(19) 0.5761(2) 0.0348(6) Uani 1 1 d . . . .
O16 O 1.1582(2) 0.80067(16) 0.76196(17) 0.0251(5) Uani 1 1 d . . . .
C1 C 1.3233(4) 0.6743(2) 0.8739(3) 0.0240(6) Uani 1 1 d . . . .
C2 C 1.4282(4) 0.6384(3) 0.9524(3) 0.0285(7) Uani 1 1 d . . . .
C3 C 0.8897(3) 0.5624(2) 0.8257(3) 0.0229(6) Uani 1 1 d U . . .
C4 C 0.8828(5) 0.6036(3) 0.9359(3) 0.0356(7) Uani 1 1 d U . . .
C5 C 0.8396(3) 0.3643(2) 0.5068(2) 0.0205(6) Uani 1 1 d . . . .
C6 C 0.7165(4) 0.2453(2) 0.4726(3) 0.0241(6) Uani 1 1 d . . . .
C7 C 0.7048(3) 0.6159(2) 0.4698(2) 0.0198(6) Uani 1 1 d . . . .
C8 C 0.5719(3) 0.4986(2) 0.3820(3) 0.0234(6) Uani 1 1 d . . . .
C9 C 0.5218(3) 0.8320(2) 0.3566(3) 0.0218(6) Uani 1 1 d U . . .
C10 C 0.4004(4) 0.8692(3) 0.2957(3) 0.0266(6) Uani 1 1 d U . . .
C11 C 0.7933(3) 0.9338(3) 0.7649(2) 0.0224(6) Uani 1 1 d . . . .
C12 C 0.7378(4) 0.8926(3) 0.8418(3) 0.0298(7) Uani 1 1 d . . . .
C13 C 1.0469(3) 1.1364(2) 0.6471(2) 0.0197(5) Uani 1 1 d U . . .
C14 C 1.1250(4) 1.2577(2) 0.7386(3) 0.0261(6) Uani 1 1 d U . . .
C15 C 1.1432(3) 0.8785(2) 0.7346(2) 0.0186(5) Uani 1 1 d . . . .
C16 C 1.2688(4) 0.9997(2) 0.8159(3) 0.0260(6) Uani 1 1 d . . . .
F4 F 0.7605(11) 0.5298(5) 0.9299(7) 0.073(2) Uani 0.642(16) 1 d U P A 1
F5 F 1.0058(10) 0.6181(9) 1.0185(5) 0.071(2) Uani 0.642(16) 1 d U P A 1
F6 F 0.8718(11) 0.7014(5) 0.9568(7) 0.0546(17) Uani 0.642(16) 1 d U P A 1
F13 F 0.2681(4) 0.8149(4) 0.2927(4) 0.0361(9) Uani 0.832(11) 1 d U P B 1
F14 F 0.4452(5) 0.9781(3) 0.3445(5) 0.0558(13) Uani 0.832(11) 1 d U P B 1
F15 F 0.3704(5) 0.8425(5) 0.1881(3) 0.0433(11) Uani 0.832(11) 1 d U P B 1
F19 F 1.1049(9) 1.2571(5) 0.8301(5) 0.0433(16) Uani 0.625(19) 1 d U P C 1
F20 F 1.2786(7) 1.2983(8) 0.7763(7) 0.0333(14) Uani 0.625(19) 1 d U P C 1
F21 F 1.0762(9) 1.3255(5) 0.7064(6) 0.0439(18) Uani 0.625(19) 1 d U P C 1
O7A O 0.822(4) 0.619(3) 0.536(3) 0.028(3) Uani 0.34(7) 1 d . P D 1
O15 O 1.0439(7) 0.8688(4) 0.6450(7) 0.0251(13) Uani 0.77(3) 1 d . P E 1
F4A F 0.837(2) 0.5246(8) 0.9692(10) 0.061(3) Uani 0.358(16) 1 d U P A 2
F5A F 1.0290(12) 0.6668(12) 1.0207(9) 0.056(3) Uani 0.358(16) 1 d U P A 2
F6A F 0.8110(19) 0.6625(15) 0.9321(12) 0.063(3) Uani 0.358(16) 1 d U P A 2
F13A F 0.267(2) 0.8007(17) 0.2540(18) 0.034(3) Uani 0.168(11) 1 d U P B 2
F14A F 0.423(2) 0.9671(14) 0.3802(14) 0.032(3) Uani 0.168(11) 1 d U P B 2
F15A F 0.432(2) 0.905(2) 0.2294(18) 0.044(3) Uani 0.168(11) 1 d U P B 2
F19A F 1.0552(15) 1.2747(7) 0.7959(12) 0.046(2) Uani 0.375(19) 1 d U P C 2
F20A F 1.2675(13) 1.2935(13) 0.8011(11) 0.032(2) Uani 0.375(19) 1 d U P C 2
F21A F 1.1107(12) 1.3291(7) 0.6802(9) 0.0308(18) Uani 0.375(19) 1 d U P C 2
O7 O 0.803(2) 0.6135(14) 0.5508(18) 0.028(3) Uani 0.66(7) 1 d . P D 2
O15A O 1.021(2) 0.8716(14) 0.6712(18) 0.0251(13) Uani 0.23(3) 1 d . P E 2
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'
O O 0.0106 0.0060 '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
O3 Mn1 O2 80.48(8) . .
O5 Mn1 O2 84.91(7) . .
O5 Mn1 O3 83.97(8) . .
O6 Mn1 O2 91.31(10) 2_766 .
O6 Mn1 O3 170.48(10) 2_766 .
O6 Mn1 O5 100.19(9) 2_766 .
O6 Mn1 O16 88.38(9) 2_766 .
O6 Mn1 O7A 91.1(8) 2_766 .
O6 Mn1 O7 100.4(9) 2_766 .
O16 Mn1 O2 82.40(8) . .
O16 Mn1 O3 85.79(8) . .
O16 Mn1 O5 164.85(8) . .
O7A Mn1 O2 175.0(8) . .
O7A Mn1 O3 97.5(8) . .
O7A Mn1 O5 90.3(9) . .
O7A Mn1 O16 102.1(9) . .
O7 Mn1 O2 166.9(8) . .
O7 Mn1 O3 88.3(8) . .
O7 Mn1 O5 87.3(5) . .
O7 Mn1 O16 103.6(4) . .
O8 Mn2 O10 83.50(8) . .
O8 Mn2 O11 85.36(8) . .
O10 Mn2 O11 91.50(8) . .
O13 Mn2 O8 165.97(8) . .
O13 Mn2 O10 88.63(8) . .
O13 Mn2 O11 83.25(8) . .
O14 Mn2 O8 89.02(8) 2_776 .
O14 Mn2 O10 89.42(9) 2_776 .
O14 Mn2 O11 174.16(8) 2_776 .
O14 Mn2 O13 102.54(8) 2_776 .
O14 Mn2 O15 88.6(3) 2_776 .
O15 Mn2 O8 97.96(13) . .
O15 Mn2 O10 177.5(3) . .
O15 Mn2 O11 90.6(3) . .
O15 Mn2 O13 90.34(15) . .
O15A Mn2 O8 98.4(5) . .
O15A Mn2 O10 168.1(7) . .
O15A Mn2 O11 77.0(7) . .
O15A Mn2 O13 87.0(5) . .
O15A Mn2 O14 102.4(7) . 2_776
C1 O2 Mn1 133.55(19) . .
C3 O3 Mn1 131.4(2) . .
C5 O5 Mn1 124.66(18) . .
C5 O6 Mn1 161.1(3) . 2_766
C7 O8 Mn2 130.68(18) . .
C9 O10 Mn2 131.40(19) . .
C11 O11 Mn2 133.3(2) . .
C13 O13 Mn2 124.67(18) . .
C13 O14 Mn2 173.2(2) . 2_776
C15 O16 Mn1 126.25(19) . .
O1 C1 C2 110.9(3) . .
O2 C1 O1 127.6(3) . .
O2 C1 C2 121.5(3) . .
F1 C2 F3 108.0(3) . .
F1 C2 C1 109.6(3) . .
F2 C2 F1 107.9(3) . .
F2 C2 F3 109.0(3) . .
F2 C2 C1 111.5(3) . .
F3 C2 C1 110.7(3) . .
O3 C3 O4 127.5(3) . .
O3 C3 C4 119.4(3) . .
O4 C3 C4 113.1(3) . .
F4 C4 C3 110.6(4) . .
F4 C4 F6 106.8(5) . .
F5 C4 C3 109.6(4) . .
F5 C4 F4 110.0(5) . .
F5 C4 F6 108.4(5) . .
F6 C4 C3 111.3(4) . .
F4A C4 C3 115.0(5) . .
F4A C4 F5A 100.0(7) . .
F5A C4 C3 107.8(6) . .
F6A C4 C3 110.2(7) . .
F6A C4 F4A 113.6(8) . .
F6A C4 F5A 109.4(8) . .
O5 C5 C6 116.0(2) . .
O6 C5 O5 127.9(3) . .
O6 C5 C6 116.1(3) . .
F7 C6 F8 106.6(3) . .
F7 C6 C5 111.9(2) . .
F8 C6 C5 111.0(2) . .
F9 C6 F7 108.7(3) . .
F9 C6 F8 107.6(3) . .
F9 C6 C5 110.8(3) . .
O8 C7 C8 115.6(2) . .
O7A C7 O8 125.0(15) . .
O7A C7 C8 118.0(16) . .
O7 C7 O8 129.5(8) . .
O7 C7 C8 114.7(8) . .
F10 C8 F11 107.3(3) . .
F10 C8 C7 109.7(2) . .
F11 C8 C7 112.0(2) . .
F12 C8 F10 108.1(3) . .
F12 C8 F11 107.2(3) . .
F12 C8 C7 112.3(2) . .
O9 C9 C10 110.7(3) . .
O10 C9 O9 128.3(3) . .
O10 C9 C10 120.9(3) . .
F13 C10 C9 110.4(3) . .
F13 C10 F15 106.4(3) . .
F14 C10 C9 111.9(3) . .
F14 C10 F13 108.8(4) . .
F14 C10 F15 108.1(3) . .
F15 C10 C9 110.9(3) . .
F13A C10 C9 115.2(10) . .
F13A C10 F14A 107.0(12) . .
F13A C10 F15A 114.2(12) . .
F14A C10 C9 105.4(7) . .
F15A C10 C9 110.1(8) . .
F15A C10 F14A 103.8(10) . .
O11 C11 O12 127.9(3) . .
O11 C11 C12 120.6(3) . .
O12 C11 C12 111.6(3) . .
F16 C12 F17 108.3(3) . .
F16 C12 F18 109.5(3) . .
F16 C12 C11 111.1(3) . .
F17 C12 F18 107.4(3) . .
F17 C12 C11 110.9(3) . .
F18 C12 C11 109.6(3) . .
O13 C13 C14 117.3(3) . .
O14 C13 O13 127.6(3) . .
O14 C13 C14 115.0(3) . .
F19 C14 C13 110.4(3) . .
F20 C14 C13 108.5(5) . .
F20 C14 F19 105.8(4) . .
F21 C14 C13 114.2(4) . .
F21 C14 F19 107.7(4) . .
F21 C14 F20 109.9(6) . .
F19A C14 C13 113.8(5) . .
F19A C14 F21A 103.7(6) . .
F20A C14 C13 114.4(7) . .
F20A C14 F19A 112.0(7) . .
F20A C14 F21A 105.9(8) . .
F21A C14 C13 106.0(5) . .
O16 C15 C16 116.7(3) . .
O15 C15 O16 127.1(3) . .
O15 C15 C16 115.9(3) . .
O15A C15 O16 123.6(9) . .
O15A C15 C16 115.7(9) . .
F22 C16 C15 109.3(3) . .
F23 C16 F22 108.5(3) . .
F23 C16 F24 109.0(3) . .
F23 C16 C15 112.2(2) . .
F24 C16 F22 106.4(3) . .
F24 C16 C15 111.3(3) . .
C7 O7A Mn1 173(2) . .
C15 O15 Mn2 153.0(8) . .
C7 O7 Mn1 162(2) . .
C15 O15A Mn2 166.0(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 2.246(2) .
Mn1 O3 2.215(2) .
Mn1 O5 2.1795(19) .
Mn1 O6 2.082(2) 2_766
Mn1 O16 2.177(2) .
Mn1 O7A 2.09(3) .
Mn1 O7 2.102(16) .
Mn2 O8 2.184(2) .
Mn2 O10 2.220(2) .
Mn2 O11 2.231(2) .
Mn2 O13 2.176(2) .
Mn2 O14 2.082(2) 2_776
Mn2 O15 2.107(5) .
Mn2 O15A 2.072(17) .
F1 C2 1.319(4) .
F2 C2 1.306(4) .
F3 C2 1.319(4) .
F7 C6 1.314(4) .
F8 C6 1.321(4) .
F9 C6 1.304(4) .
F10 C8 1.314(4) .
F11 C8 1.320(3) .
F12 C8 1.313(4) .
F16 C12 1.311(4) .
F17 C12 1.312(4) .
F18 C12 1.312(4) .
F22 C16 1.324(4) .
F23 C16 1.308(4) .
F24 C16 1.314(4) .
O1 C1 1.283(4) .
O2 C1 1.204(4) .
O3 C3 1.201(3) .
O4 C3 1.290(4) .
O5 C5 1.254(3) .
O6 Mn1 2.082(2) 2_766
O6 C5 1.216(4) .
O8 C7 1.249(3) .
O9 C9 1.292(4) .
O10 C9 1.203(4) .
O11 C11 1.203(4) .
O12 C11 1.290(4) .
O13 C13 1.248(3) .
O14 Mn2 2.081(2) 2_776
O14 C13 1.214(4) .
O16 C15 1.241(3) .
C1 C2 1.528(4) .
C3 C4 1.527(4) .
C4 F4 1.318(6) .
C4 F5 1.285(7) .
C4 F6 1.326(6) .
C4 F4A 1.303(9) .
C4 F5A 1.351(11) .
C4 F6A 1.235(12) .
C5 C6 1.544(4) .
C7 C8 1.543(4) .
C7 O7A 1.21(3) .
C7 O7 1.232(17) .
C9 C10 1.538(4) .
C10 F13 1.327(4) .
C10 F14 1.301(4) .
C10 F15 1.338(4) .
C10 F13A 1.216(19) .
C10 F14A 1.416(16) .
C10 F15A 1.251(14) .
C11 C12 1.537(4) .
C13 C14 1.533(4) .
C14 F19 1.365(6) .
C14 F20 1.351(7) .
C14 F21 1.272(6) .
C14 F19A 1.276(8) .
C14 F20A 1.260(12) .
C14 F21A 1.423(9) .
C15 C16 1.537(4) .
C15 O15 1.238(6) .
C15 O15A 1.210(18) .
