#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:48:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180016 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/10/7031074.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_7031074
loop_
_publ_author_name
'Sivanesan, Dharmalingam'
'Kannan, Sethuraman'
'Thangadurai, Thangaian Daniel'
'Jung, Kwang-Deog'
'Yoon, Sungho'
_publ_section_title
;
 Water is a key factor to alter the structure and electrochemical
 properties of carboxylate-bridged dimanganese(ii) complexes.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11465
_journal_page_last               11469
_journal_paper_doi               10.1039/c4dt00520a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C86 H68 Cl4 F8 Mn2 O12'
_chemical_formula_weight         1697.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.29(3)
_cell_angle_beta                 114.67(3)
_cell_angle_gamma                111.21(3)
_cell_formula_units_Z            1
_cell_length_a                   12.331(3)
_cell_length_b                   14.072(3)
_cell_length_c                   14.127(3)
_cell_measurement_reflns_used    4104
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      2.71
_cell_volume                     1961.8(13)
_computing_cell_refinement       'SAINT  (Bruker, 2000)'
_computing_data_collection       'SMART  (Bruker, 2000)'
_computing_data_reduction        'SAINT  (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 'ACTA 50'
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_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  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0721
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12360
_diffrn_reflns_theta_full        'ACTA 50'
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.540
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             870
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.824
_refine_diff_density_min         -0.605
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         8706
_refine_ls_number_restraints     578
_refine_ls_restrained_S_all      0.921
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0570P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1158
_reflns_number_gt                5969
_reflns_number_total             8706
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c4dt00520a2.cif
_cod_data_source_block           cho136p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031073--7031075.cif.
;
_cod_original_cell_volume        1961.8(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7031074
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mn1 Mn 0.67726(3) 0.56932(2) 0.57493(3) 0.02296(10) Uani 1 1 d U
O6 O 0.77163(17) 0.51629(12) 0.70820(12) 0.0369(4) Uani 1 1 d U
O4 O 0.86074(14) 0.69678(11) 0.61989(12) 0.0294(3) Uani 1 1 d U
O5 O 0.79624(15) 0.79620(12) 0.51790(13) 0.0354(4) Uani 1 1 d U
F3 F 0.85526(18) 0.84498(12) 1.02981(13) 0.0634(5) Uani 1 1 d U
C17 C 1.0347(2) 0.84324(17) 0.47353(19) 0.0297(5) Uani 1 1 d U
C11 C 1.0247(2) 0.89479(17) 0.83236(19) 0.0324(5) Uani 1 1 d U
C10 C 1.0934(2) 0.90066(16) 0.59249(19) 0.0289(5) Uani 1 1 d U
C15 C 0.8421(3) 0.87430(19) 0.8671(2) 0.0413(6) Uani 1 1 d U
H15 H 0.7590 0.8726 0.8464 0.050 Uiso 1 1 calc R
C19 C 0.9475(2) 0.68029(19) 0.3263(2) 0.0381(6) Uani 1 1 d U
H19 H 0.9188 0.6065 0.3010 0.046 Uiso 1 1 calc R
C8 C 1.0270(2) 0.86888(16) 0.65174(18) 0.0269(5) Uani 1 1 d U
C18 C 0.9892(2) 0.73205(18) 0.4344(2) 0.0325(5) Uani 1 1 d U
H18 H 0.9870 0.6921 0.4819 0.039 Uiso 1 1 calc R
C9 C 1.0910(2) 0.92201(17) 0.76535(19) 0.0299(5) Uani 1 1 d U
C21 C 1.0340(3) 0.90067(19) 0.4001(2) 0.0386(6) Uani 1 1 d U
H21 H 1.0637 0.9747 0.4245 0.046 Uiso 1 1 calc R
C20 C 0.9496(3) 0.7408(2) 0.2577(2) 0.0419(6) Uani 1 1 d U
C7 C 0.8832(2) 0.78003(17) 0.59081(18) 0.0278(5) Uani 1 1 d U
C13 C 1.0323(3) 0.8596(2) 0.9975(2) 0.0501(7) Uani 1 1 d U
H13 H 1.0753 0.8479 1.0635 0.060 Uiso 1 1 calc R
C12 C 1.0903(3) 0.87823(19) 0.9308(2) 0.0434(6) Uani 1 1 d U
H12 H 1.1733 0.8795 0.9526 0.052 Uiso 1 1 calc R
C14 C 0.9108(3) 0.85892(19) 0.9631(2) 0.0443(7) Uani 1 1 d U
C22 C 1.2225(2) 0.98688(18) 0.6481(2) 0.0397(6) Uani 1 1 d U
H22 H 1.2669 1.0087 0.6094 0.048 Uiso 1 1 calc R
F4 F 0.90936(17) 0.68964(13) 0.15121(12) 0.0605(4) Uani 1 1 d U
C27 C 0.9901(3) 0.8495(2) 0.2913(2) 0.0444(6) Uani 1 1 d U
H27 H 0.9880 0.8879 0.2422 0.053 Uiso 1 1 calc R
C24 C 1.2210(2) 1.00772(18) 0.8178(2) 0.0394(6) Uani 1 1 d U
H24 H 1.2645 1.0431 0.8932 0.047 Uiso 1 1 calc R
C23 C 0.9000(2) 0.89273(17) 0.8009(2) 0.0364(6) Uani 1 1 d U
H23 H 0.8553 0.9038 0.7350 0.044 Uiso 1 1 calc R
C25 C 1.2858(3) 1.04069(19) 0.7597(2) 0.0455(7) Uani 1 1 d U
H25 H 1.3716 1.0987 0.7954 0.055 Uiso 1 1 calc R
F1 F 0.50405(16) 0.31550(11) 0.89525(12) 0.0504(4) Uani 1 1 d U
C38 C 0.6036(2) 0.59803(18) 0.92962(18) 0.0326(5) Uani 1 1 d U
H38 H 0.6727 0.6650 0.9803 0.039 Uiso 1 1 calc R
C35 C 0.4826(2) 0.87701(17) 0.7671(2) 0.0345(5) Uani 1 1 d U
H35 H 0.4761 0.9381 0.7530 0.041 Uiso 1 1 calc R
C40 C 0.5021(3) 0.40709(18) 0.8751(2) 0.0348(5) Uani 1 1 d U
C32 C 0.4833(2) 0.70886(16) 0.70995(17) 0.0242(4) Uani 1 1 d U
C33 C 0.4991(2) 0.69328(16) 0.81043(18) 0.0269(5) Uani 1 1 d U
C39 C 0.6054(2) 0.50512(19) 0.95116(19) 0.0364(6) Uani 1 1 d U
H39 H 0.6747 0.5090 1.0155 0.044 Uiso 1 1 calc R
C36 C 0.4744(2) 0.80083(16) 0.68748(18) 0.0264(5) Uani 1 1 d U
C37 C 0.5004(2) 0.59309(17) 0.83351(17) 0.0270(5) Uani 1 1 d U
C34 C 0.5083(2) 0.77154(18) 0.88804(19) 0.0342(5) Uani 1 1 d U
H34 H 0.5200 0.7626 0.9552 0.041 Uiso 1 1 calc R
O2 O 0.58775(14) 0.62031(11) 0.65340(12) 0.0268(3) Uani 1 1 d U
C46 C 0.4802(2) 0.62651(15) 0.62711(17) 0.0228(4) Uani 1 1 d U
C44 C 0.4584(2) 0.82108(16) 0.58240(18) 0.0266(5) Uani 1 1 d U
C47 C 0.3956(2) 0.49177(17) 0.76024(18) 0.0306(5) Uani 1 1 d U
H47 H 0.3245 0.4871 0.6967 0.037 Uiso 1 1 calc R
C42 C 0.5483(2) 0.82317(16) 0.54715(19) 0.0302(5) Uani 1 1 d U
H42 H 0.6188 0.8092 0.5887 0.036 Uiso 1 1 calc R
C45 C 0.3541(2) 0.84262(17) 0.51886(19) 0.0335(5) Uani 1 1 d U
H45 H 0.2928 0.8418 0.5411 0.040 Uiso 1 1 calc R
C48 C 0.3958(2) 0.39751(18) 0.78070(19) 0.0351(5) Uani 1 1 d U
H48 H 0.3260 0.3301 0.7318 0.042 Uiso 1 1 calc R
C43 C 0.5356(2) 0.84547(17) 0.4517(2) 0.0360(6) Uani 1 1 d U
H43 H 0.5963 0.8464 0.4286 0.043 Uiso 1 1 calc R
C49 C 0.5003(2) 0.86291(18) 0.8663(2) 0.0382(6) Uani 1 1 d U
H49 H 0.5068 0.9149 0.9190 0.046 Uiso 1 1 calc R
O1 O 0.56966(17) 0.61911(14) 0.43702(14) 0.0314(4) Uani 1 1 d DU
O3 O 0.37028(14) 0.56924(11) 0.53895(11) 0.0271(3) Uani 1 1 d U
F2 F 0.41749(17) 0.88676(12) 0.29655(12) 0.0564(4) Uani 1 1 d U
C52 C 0.3402(3) 0.86529(18) 0.4231(2) 0.0395(6) Uani 1 1 d U
H52 H 0.2703 0.8796 0.3810 0.047 Uiso 1 1 calc R
C50 C 0.4314(3) 0.86613(18) 0.3921(2) 0.0375(6) Uani 1 1 d U
Cl4 Cl 0.19113(10) 0.64051(9) 0.86998(9) 0.0926(3) Uani 1 1 d U
Cl3 Cl 0.11997(12) 0.59514(9) 0.64038(10) 0.0975(3) Uani 1 1 d U
C54 C 0.1409(3) 0.6826(3) 0.7539(3) 0.0773(11) Uani 1 1 d U
H54A H 0.0568 0.6847 0.7354 0.093 Uiso 1 1 calc R
H54B H 0.2080 0.7550 0.7711 0.093 Uiso 1 1 calc R
H2 H 0.640(4) 0.684(3) 0.453(3) 0.086(11) Uiso 1 1 d .
H1 H 0.542(4) 0.587(3) 0.3657(17) 0.105(14) Uiso 1 1 d D
C31 C 0.7724(18) 0.4158(15) 0.7059(14) 0.038(3) Uani 0.50 1 d PU
H31A H 0.8481 0.4160 0.7001 0.046 Uiso 0.50 1 calc PR
H31B H 0.6901 0.3578 0.6439 0.046 Uiso 0.50 1 calc PR
C28 C 0.8354(12) 0.5862(8) 0.8204(12) 0.035(2) Uani 0.50 1 d PU
H28A H 0.7727 0.6057 0.8314 0.042 Uiso 0.50 1 calc PR
H28B H 0.9126 0.6517 0.8362 0.042 Uiso 0.50 1 calc PR
C29 C 0.8795(10) 0.5224(8) 0.8955(10) 0.0379(18) Uani 0.50 1 d PU
H29A H 0.8636 0.5335 0.9568 0.045 Uiso 0.50 1 calc PR
H29B H 0.9736 0.5411 0.9237 0.045 Uiso 0.50 1 calc PR
C30 C 0.7839(8) 0.4022(8) 0.8122(8) 0.051(2) Uani 0.50 1 d PU
H30A H 0.8240 0.3550 0.8336 0.061 Uiso 0.50 1 calc PR
H30B H 0.6969 0.3736 0.8076 0.061 Uiso 0.50 1 calc PR
C30A C 0.8447(10) 0.4090(8) 0.8074(8) 0.071(3) Uani 0.50 1 d PU
H30C H 0.7814 0.3398 0.8015 0.085 Uiso 0.50 1 calc PR
H30D H 0.9323 0.4110 0.8353 0.085 Uiso 0.50 1 calc PR
C31A C 0.7990(19) 0.4251(17) 0.6958(15) 0.043(3) Uani 0.50 1 d PU
H31C H 0.8688 0.4403 0.6764 0.051 Uiso 0.50 1 calc PR
H31D H 0.7186 0.3613 0.6390 0.051 Uiso 0.50 1 calc PR
C29A C 0.8512(16) 0.4908(12) 0.8762(12) 0.083(4) Uani 0.50 1 d PU
H29C H 0.9433 0.5344 0.9358 0.099 Uiso 0.50 1 calc PR
H29D H 0.7962 0.4607 0.9082 0.099 Uiso 0.50 1 calc PR
C28A C 0.8052(15) 0.5582(9) 0.8184(14) 0.055(3) Uani 0.50 1 d PU
H28C H 0.7272 0.5564 0.8212 0.066 Uiso 0.50 1 calc PR
H28D H 0.8755 0.6323 0.8516 0.066 Uiso 0.50 1 calc PR
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'
Mn Mn 0.3368 0.7283 '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'
Cl Cl 0.1484 0.1585 '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
O4 Mn1 O3 112.77(7) . 2_666
O4 Mn1 O2 109.43(6) . .
O3 Mn1 O2 137.73(6) 2_666 .
O4 Mn1 O6 91.40(7) . .
O3 Mn1 O6 90.48(6) 2_666 .
O2 Mn1 O6 90.90(6) . .
O4 Mn1 O1 91.45(7) . .
O3 Mn1 O1 89.35(7) 2_666 .
O2 Mn1 O1 87.19(6) . .
O6 Mn1 O1 176.97(7) . .
C28A O6 C31 101.2(9) . .
C28A O6 C31A 109.8(9) . .
C31 O6 C31A 15.9(11) . .
C28A O6 C28 16.8(8) . .
C31 O6 C28 111.2(9) . .
C31A O6 C28 115.8(9) . .
C28A O6 Mn1 125.5(6) . .
C31 O6 Mn1 129.9(7) . .
C31A O6 Mn1 124.5(7) . .
C28 O6 Mn1 118.6(5) . .
C7 O4 Mn1 128.66(14) . .
C21 C17 C18 118.2(2) . .
C21 C17 C10 120.5(2) . .
C18 C17 C10 121.1(2) . .
C12 C11 C23 119.1(2) . .
C12 C11 C9 120.1(2) . .
C23 C11 C9 120.7(2) . .
C22 C10 C8 118.8(2) . .
C22 C10 C17 118.1(2) . .
C8 C10 C17 123.0(2) . .
C14 C15 C23 117.9(3) . .
C20 C19 C18 118.2(2) . .
C9 C8 C10 120.4(2) . .
C9 C8 C7 120.2(2) . .
C10 C8 C7 119.3(2) . .
C19 C18 C17 121.2(2) . .
C24 C9 C8 118.7(2) . .
C24 C9 C11 118.1(2) . .
C8 C9 C11 123.1(2) . .
C27 C21 C17 121.1(2) . .
F4 C20 C19 118.1(2) . .
F4 C20 C27 119.1(2) . .
C19 C20 C27 122.9(2) . .
O5 C7 O4 125.6(2) . .
O5 C7 C8 117.49(19) . .
O4 C7 C8 116.87(19) . .
C14 C13 C12 118.1(3) . .
C11 C12 C13 120.3(3) . .
C15 C14 C13 123.9(2) . .
C15 C14 F3 117.4(3) . .
C13 C14 F3 118.7(3) . .
C25 C22 C10 121.3(2) . .
C20 C27 C21 118.4(2) . .
C25 C24 C9 121.2(2) . .
C15 C23 C11 120.7(2) . .
C24 C25 C22 119.5(2) . .
C39 C38 C37 121.2(2) . .
C49 C35 C36 120.8(2) . .
F1 C40 C48 118.5(2) . .
F1 C40 C39 118.6(2) . .
C48 C40 C39 122.9(2) . .
C36 C32 C33 120.67(19) . .
C36 C32 C46 120.07(19) . .
C33 C32 C46 119.24(18) . .
C34 C33 C32 118.9(2) . .
C34 C33 C37 119.3(2) . .
C32 C33 C37 121.70(19) . .
C40 C39 C38 118.3(2) . .
C35 C36 C32 118.7(2) . .
C35 C36 C44 118.75(19) . .
C32 C36 C44 122.56(19) . .
C38 C37 C47 118.4(2) . .
C38 C37 C33 121.1(2) . .
C47 C37 C33 120.5(2) . .
C49 C34 C33 120.6(2) . .
C46 O2 Mn1 138.18(14) . .
O3 C46 O2 125.58(19) . .
O3 C46 C32 117.45(19) . .
O2 C46 C32 116.95(18) . .
C42 C44 C45 118.0(2) . .
C42 C44 C36 121.70(19) . .
C45 C44 C36 120.2(2) . .
C48 C47 C37 121.1(2) . .
C43 C42 C44 121.5(2) . .
C52 C45 C44 121.2(2) . .
C40 C48 C47 118.0(2) . .
C50 C43 C42 118.2(2) . .
C35 C49 C34 120.3(2) . .
C46 O3 Mn1 126.47(14) . 2_666
C50 C52 C45 118.4(2) . .
C52 C50 C43 122.7(2) . .
C52 C50 F2 119.0(2) . .
C43 C50 F2 118.3(2) . .
Cl3 C54 Cl4 111.14(18) . .
O6 C31 C30 105.4(11) . .
O6 C28 C29 106.5(8) . .
C28 C29 C30 100.9(8) . .
C31 C30 C29 102.3(10) . .
C29A C30A C31A 107.0(12) . .
O6 C31A C30A 104.9(12) . .
C30A C29A C28A 111.4(13) . .
O6 C28A C29A 106.7(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O4 2.0772(18) .
Mn1 O3 2.0794(17) 2_666
Mn1 O2 2.0868(15) .
Mn1 O6 2.1474(16) .
Mn1 O1 2.2154(17) .
O6 C28A 1.412(17) .
O6 C31 1.41(2) .
O6 C31A 1.45(2) .
O6 C28 1.450(15) .
O4 C7 1.265(2) .
O5 C7 1.255(3) .
F3 C14 1.373(3) .
C17 C21 1.393(3) .
C17 C18 1.398(3) .
C17 C10 1.489(3) .
C11 C12 1.386(3) .
C11 C23 1.398(3) .
C11 C9 1.491(3) .
C10 C22 1.393(3) .
C10 C8 1.405(3) .
C15 C14 1.361(4) .
C15 C23 1.392(3) .
C19 C20 1.371(3) .
C19 C18 1.385(3) .
C8 C9 1.403(3) .
C8 C7 1.516(3) .
C9 C24 1.399(3) .
C21 C27 1.384(4) .
C20 F4 1.368(3) .
C20 C27 1.372(4) .
C13 C14 1.364(4) .
C13 C12 1.401(4) .
C22 C25 1.382(4) .
C24 C25 1.380(3) .
F1 C40 1.361(2) .
C38 C39 1.385(3) .
C38 C37 1.392(3) .
C35 C49 1.379(3) .
C35 C36 1.394(3) .
C40 C48 1.372(3) .
C40 C39 1.375(3) .
C32 C36 1.402(3) .
C32 C33 1.407(3) .
C32 C46 1.516(3) .
C33 C34 1.388(3) .
C33 C37 1.491(3) .
C36 C44 1.492(3) .
C37 C47 1.396(3) .
C34 C49 1.387(3) .
O2 C46 1.259(2) .
C46 O3 1.258(3) .
C44 C42 1.385(3) .
C44 C45 1.392(3) .
C47 C48 1.394(3) .
C42 C43 1.381(3) .
C45 C52 1.384(3) .
C43 C50 1.369(3) .
O3 Mn1 2.0794(17) 2_666
F2 C50 1.370(3) .
C52 C50 1.364(4) .
Cl4 C54 1.757(3) .
Cl3 C54 1.755(4) .
C31 C30 1.491(17) .
C28 C29 1.530(19) .
C29 C30 1.591(13) .
C30A C29A 1.364(16) .
C30A C31A 1.515(19) .
C29A C28A 1.44(2) .
