#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:32:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179975 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/69/7026917.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_7026917
loop_
_publ_author_name
'Gómez, Verónica'
'Corbella, Montserrat'
'Font-Bardia, Mercé'
'Calvet, Teresa'
_publ_section_title
;
 A μ(1,1)- or μ(1,3)-carboxylate bridge makes the difference in the
 magnetic properties of dinuclear Mn(II) compounds.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11664
_journal_page_last               11674
_journal_paper_doi               10.1039/c0dt00902d
_journal_volume                  39
_journal_year                    2010
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C62 H40 Cl2 Mn2 N8 O4, 2(Cl O4)'
_chemical_formula_sum            'C62 H40 Cl4 Mn2 N8 O12'
_chemical_formula_weight         1340.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-12-11T15:17:37-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 96.055(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.585(2)
_cell_length_b                   19.584(3)
_cell_length_c                   9.5953(13)
_cell_measurement_reflns_used    1581
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.51
_cell_measurement_theta_min      2.64
_cell_measurement_wavelength     0.71073
_cell_volume                     2725.4(7)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker APEX II'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BrukerAXS ApexII-CCD area detector '
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0660
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            22223
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.7609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1364
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.988
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         2874
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.232
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0850
_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)+(0.0000P)²+63.1166P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1951
_refine_ls_wR_factor_ref         0.2011
_reflns_number_gt                2246
_reflns_number_total             2878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00902d.txt
_cod_data_source_block           compound5
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7026917
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
_atom_site_disorder_group
Mn1 Mn 0.0000 0.41284(7) 0.0000 0.0147(3) Uani 1 2 d S .
N1 N 0.1022(4) 0.3943(3) -0.1578(6) 0.0195(12) Uani 1 1 d . .
C2 C 0.0952(5) 0.4132(3) -0.2907(6) 0.0196(13) Uani 1 1 d . .
H2 H 0.0393 0.4306 -0.3309 0.023 Uiso 1 1 calc R .
C3 C 0.1691(5) 0.4080(3) -0.3745(7) 0.0227(14) Uani 1 1 d . .
H3 H 0.1610 0.4200 -0.4688 0.027 Uiso 1 1 calc R .
C4 C 0.2527(5) 0.3850(3) -0.3141(7) 0.0241(15) Uani 1 1 d . .
H4 H 0.3027 0.3828 -0.3667 0.029 Uiso 1 1 calc R .
C5 C 0.2628(5) 0.3649(3) -0.1740(7) 0.0194(14) Uani 1 1 d . .
C6 C 0.3472(5) 0.3400(3) -0.1031(8) 0.0244(15) Uani 1 1 d . .
H6 H 0.3993 0.3379 -0.1511 0.029 Uiso 1 1 calc R .
C7 C 0.3533(5) 0.3196(4) 0.0311(8) 0.0271(16) Uani 1 1 d . .
H7 H 0.4096 0.3042 0.0744 0.033 Uiso 1 1 calc R .
C8 C 0.2738(5) 0.3211(3) 0.1095(7) 0.0213(14) Uani 1 1 d . .
C9 C 0.2772(5) 0.2995(4) 0.2489(7) 0.0249(15) Uani 1 1 d . .
H9 H 0.3322 0.2838 0.2959 0.030 Uiso 1 1 calc R .
C10 C 0.1988(5) 0.3017(3) 0.3152(7) 0.0255(15) Uani 1 1 d . .
H10 H 0.1996 0.2868 0.4074 0.031 Uiso 1 1 calc R .
C11 C 0.1173(5) 0.3266(3) 0.2428(7) 0.0224(15) Uani 1 1 d . .
H11 H 0.0643 0.3277 0.2888 0.027 Uiso 1 1 calc R .
N12 N 0.1121(4) 0.3489(3) 0.1104(5) 0.0171(11) Uani 1 1 d . .
C13 C 0.1905(5) 0.3461(3) 0.0432(7) 0.0179(13) Uani 1 1 d . .
C14 C 0.1846(4) 0.3688(3) -0.0991(7) 0.0165(13) Uani 1 1 d . .
Cl15 Cl 0.53862(17) 0.5000 0.2418(3) 0.0333(6) Uani 1 2 d S .
C16 C 0.4180(7) 0.5000 0.2332(10) 0.025(2) Uani 1 2 d S .
C17 C 0.3772(7) 0.5000 0.3566(11) 0.033(3) Uani 1 2 d S .
H17 H 0.4131 0.5000 0.4426 0.040 Uiso 1 2 calc SR .
C18 C 0.2832(7) 0.5000 0.3503(10) 0.028(2) Uani 1 2 d S .
H18 H 0.2557 0.5000 0.4334 0.033 Uiso 1 2 calc SR .
C19 C 0.2270(6) 0.5000 0.2224(9) 0.0163(18) Uani 1 2 d S .
C20 C 0.2718(6) 0.5000 0.0982(10) 0.0188(19) Uani 1 2 d S .
H20 H 0.2368 0.5000 0.0114 0.023 Uiso 1 2 calc SR .
C21 C 0.3662(7) 0.5000 0.1049(10) 0.019(2) Uani 1 2 d S .
H21 H 0.3951 0.5000 0.0230 0.023 Uiso 1 2 calc SR .
C22 C 0.1253(6) 0.5000 0.2211(10) 0.019(2) Uani 1 2 d S .
O23 O 0.0753(4) 0.5000 0.0987(6) 0.0150(13) Uani 1 2 d S .
O24 O 0.0936(4) 0.5000 0.3343(7) 0.0222(15) Uani 1 2 d S .
Cl11 Cl -0.0046(11) 0.2027(2) 0.5192(13) 0.027(2) Uani 0.50 1 d P 1
O11 O 0.0840(7) 0.1885(7) 0.4686(12) 0.035(3) Uani 0.50 1 d P 1
O21 O -0.0390(7) 0.2667(5) 0.4603(11) 0.033(2) Uani 0.50 1 d P 1
O31 O -0.0695(9) 0.1479(7) 0.4792(17) 0.053(4) Uani 0.50 1 d P 1
O41 O 0.0075(7) 0.2100(7) 0.6691(11) 0.042(3) Uani 0.50 1 d P 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 0 '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 0.006 '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'
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
O23 Mn1 O23 77.6(3) . 5_565
O23 Mn1 N12 161.74(19) . 2
O23 Mn1 N12 85.61(19) 5_565 2
O23 Mn1 N12 85.61(19) . .
O23 Mn1 N12 161.74(19) 5_565 .
N12 Mn1 N12 111.9(3) 2 .
O23 Mn1 N1 99.9(2) . 2
O23 Mn1 N1 94.5(2) 5_565 2
N12 Mn1 N1 74.14(19) 2 2
N12 Mn1 N1 95.37(19) . 2
O23 Mn1 N1 94.5(2) . .
O23 Mn1 N1 99.9(2) 5_565 .
N12 Mn1 N1 95.37(19) 2 .
N12 Mn1 N1 74.14(19) . .
N1 Mn1 N1 161.5(3) 2 .
C2 N1 C14 118.4(5) . .
C2 N1 Mn1 127.7(4) . .
C14 N1 Mn1 113.3(4) . .
N1 C2 C3 122.9(6) . .
N1 C2 H2 118.6 . .
C3 C2 H2 118.6 . .
C4 C3 C2 118.7(6) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C3 C4 C5 120.0(6) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 C14 117.7(6) . .
C4 C5 C6 123.7(6) . .
C14 C5 C6 118.5(6) . .
C7 C6 C5 121.7(6) . .
C7 C6 H6 119.1 . .
C5 C6 H6 119.1 . .
C6 C7 C8 121.1(7) . .
C6 C7 H7 119.5 . .
C8 C7 H7 119.5 . .
C9 C8 C13 118.8(6) . .
C9 C8 C7 122.8(7) . .
C13 C8 C7 118.4(6) . .
C10 C9 C8 119.3(7) . .
C10 C9 H9 120.3 . .
C8 C9 H9 120.3 . .
C9 C10 C11 119.2(6) . .
C9 C10 H10 120.4 . .
C11 C10 H10 120.4 . .
N12 C11 C10 123.0(6) . .
N12 C11 H11 118.5 . .
C10 C11 H11 118.5 . .
C11 N12 C13 117.8(6) . .
C11 N12 Mn1 126.7(4) . .
C13 N12 Mn1 113.8(4) . .
N12 C13 C8 121.8(6) . .
N12 C13 C14 117.9(6) . .
C8 C13 C14 120.3(6) . .
N1 C14 C5 122.2(6) . .
N1 C14 C13 118.0(5) . .
C5 C14 C13 119.9(6) . .
C21 C16 C17 121.4(9) . .
C21 C16 Cl15 119.7(7) . .
C17 C16 Cl15 118.8(8) . .
C18 C17 C16 119.0(10) . .
C18 C17 H17 120.5 . .
C16 C17 H17 120.5 . .
C17 C18 C19 122.0(9) . .
C17 C18 H18 119.0 . .
C19 C18 H18 119.0 . .
C18 C19 C20 117.2(9) . .
C18 C19 C22 119.9(8) . .
C20 C19 C22 122.8(9) . .
C21 C20 C19 120.6(9) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C20 C21 C16 119.8(8) . .
C20 C21 H21 120.1 . .
C16 C21 H21 120.1 . .
O24 C22 O23 124.5(9) . .
O24 C22 C19 117.6(9) . .
O23 C22 C19 117.9(8) . .
C22 O23 Mn1 126.27(18) . .
C22 O23 Mn1 126.27(18) . 5_565
Mn1 O23 Mn1 102.4(3) . 5_565
Cl11 Cl11 O11 120(5) 2_556 2_556
Cl11 Cl11 O21 86(2) 2_556 2_556
O11 Cl11 O21 127.8(10) 2_556 2_556
Cl11 Cl11 O41 153(6) 2_556 .
O11 Cl11 O41 86.8(9) 2_556 .
O21 Cl11 O41 76.5(9) 2_556 .
Cl11 Cl11 O21 77(2) 2_556 .
O11 Cl11 O21 86.5(11) 2_556 .
O21 Cl11 O21 54.2(9) 2_556 .
O41 Cl11 O21 107.8(8) . .
Cl11 Cl11 O31 92(4) 2_556 .
O21 Cl11 O31 164.5(13) 2_556 .
O41 Cl11 O31 110.2(9) . .
O21 Cl11 O31 110.4(13) . .
Cl11 Cl11 O11 46(4) 2_556 .
O11 Cl11 O11 152.1(13) 2_556 .
O21 Cl11 O11 79.1(10) 2_556 .
O41 Cl11 O11 109.4(13) . .
O21 Cl11 O11 108.6(9) . .
O31 Cl11 O11 110.4(10) . .
Cl11 Cl11 O31 73(3) 2_556 2_556
O21 Cl11 O31 108.4(13) 2_556 2_556
O41 Cl11 O31 92.7(11) . 2_556
O21 Cl11 O31 146.4(11) . 2_556
O31 Cl11 O31 85.7(10) . 2_556
O11 Cl11 O41 101.1(12) 2_556 2_556
O21 Cl11 O41 91.8(7) 2_556 2_556
O41 Cl11 O41 168.2(11) . 2_556
O21 Cl11 O41 64.5(7) . 2_556
O31 Cl11 O41 81.3(10) . 2_556
O11 Cl11 O41 67.0(7) . 2_556
O31 Cl11 O41 90.4(8) 2_556 2_556
O31 O11 Cl11 82.8(12) 2_556 2_556
O31 O11 Cl11 74.6(11) 2_556 .
O21 O21 Cl11 64.2(8) 2_556 2_556
O21 O21 Cl11 61.6(8) 2_556 .
O21 O21 O41 97.8(8) 2_556 2_556
Cl11 O21 O41 52.4(7) 2_556 2_556
Cl11 O21 O41 67.8(7) . 2_556
O11 O31 Cl11 55.4(11) 2_556 .
O11 O31 Cl11 67.2(10) 2_556 2_556
Cl11 O41 O21 51.1(6) . 2_556
O21 O41 Cl11 47.7(4) 2_556 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O23 2.190(4) .
Mn1 O23 2.190(4) 5_565
Mn1 N12 2.236(5) 2
Mn1 N12 2.236(6) .
Mn1 N1 2.264(5) 2
Mn1 N1 2.264(5) .
N1 C2 1.321(8) .
N1 C14 1.366(8) .
C2 C3 1.414(8) .
C2 H2 0.9300 .
C3 C4 1.369(10) .
C3 H3 0.9300 .
C4 C5 1.394(9) .
C4 H4 0.9300 .
C5 C14 1.414(8) .
C5 C6 1.427(10) .
C6 C7 1.342(10) .
C6 H6 0.9300 .
C7 C8 1.448(9) .
C7 H7 0.9300 .
C8 C9 1.399(10) .
C8 C13 1.400(10) .
C9 C10 1.366(9) .
C9 H9 0.9300 .
C10 C11 1.401(10) .
C10 H10 0.9300 .
C11 N12 1.338(8) .
C11 H11 0.9300 .
N12 C13 1.371(8) .
C13 C14 1.430(9) .
Cl15 C16 1.752(10) .
C16 C21 1.375(14) .
C16 C17 1.380(13) .
C17 C18 1.365(14) .
C17 H17 0.9300 .
C18 C19 1.402(13) .
C18 H18 0.9300 .
C19 C20 1.417(12) .
C19 C22 1.483(13) .
C20 C21 1.372(13) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O24 1.225(11) .
C22 O23 1.315(12) .
O23 Mn1 2.190(4) 5_565
Cl11 Cl11 0.406(18) 2_556
Cl11 O11 1.21(2) 2_556
Cl11 O21 1.411(14) 2_556
Cl11 O41 1.438(16) .
Cl11 O21 1.444(13) .
Cl11 O31 1.455(19) .
Cl11 O11 1.455(15) .
Cl11 O31 1.522(17) 2_556
Cl11 O41 1.809(15) 2_556
O11 O31 0.976(16) 2_556
O11 Cl11 1.21(2) 2_556
O21 O21 1.30(2) 2_556
O21 Cl11 1.411(14) 2_556
O21 O41 1.763(15) 2_556
O31 O11 0.976(16) 2_556
O31 Cl11 1.522(17) 2_556
O41 O21 1.763(15) 2_556
O41 Cl11 1.809(15) 2_556
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
O23 Mn1 N1 C2 -99.9(6) . .
O23 Mn1 N1 C2 -21.7(6) 5_565 .
N12 Mn1 N1 C2 64.8(6) 2 .
N12 Mn1 N1 C2 176.0(6) . .
N1 Mn1 N1 C2 118.9(6) 2 .
O23 Mn1 N1 C14 70.6(4) . .
O23 Mn1 N1 C14 148.8(4) 5_565 .
N12 Mn1 N1 C14 -124.7(4) 2 .
N12 Mn1 N1 C14 -13.5(4) . .
N1 Mn1 N1 C14 -70.6(4) 2 .
C14 N1 C2 C3 0.2(10) . .
Mn1 N1 C2 C3 170.2(5) . .
N1 C2 C3 C4 -2.7(10) . .
C2 C3 C4 C5 2.3(10) . .
C3 C4 C5 C14 0.4(10) . .
C3 C4 C5 C6 179.7(6) . .
C4 C5 C6 C7 -178.3(7) . .
C14 C5 C6 C7 0.9(10) . .
C5 C6 C7 C8 0.8(11) . .
C6 C7 C8 C9 179.2(7) . .
C6 C7 C8 C13 -1.6(10) . .
C13 C8 C9 C10 1.7(10) . .
C7 C8 C9 C10 -179.1(6) . .
C8 C9 C10 C11 -1.1(10) . .
C9 C10 C11 N12 -0.2(11) . .
C10 C11 N12 C13 0.9(10) . .
C10 C11 N12 Mn1 -163.6(5) . .
O23 Mn1 N12 C11 83.8(6) . .
O23 Mn1 N12 C11 106.9(7) 5_565 .
N12 Mn1 N12 C11 -90.7(5) 2 .
N1 Mn1 N12 C11 -15.7(6) 2 .
N1 Mn1 N12 C11 179.8(6) . .
O23 Mn1 N12 C13 -81.2(4) . .
O23 Mn1 N12 C13 -58.2(8) 5_565 .
N12 Mn1 N12 C13 104.2(4) 2 .
N1 Mn1 N12 C13 179.3(4) 2 .
N1 Mn1 N12 C13 14.8(4) . .
C11 N12 C13 C8 -0.2(9) . .
Mn1 N12 C13 C8 166.3(5) . .
C11 N12 C13 C14 178.9(6) . .
Mn1 N12 C13 C14 -14.6(7) . .
C9 C8 C13 N12 -1.1(9) . .
C7 C8 C13 N12 179.7(6) . .
C9 C8 C13 C14 179.8(6) . .
C7 C8 C13 C14 0.6(9) . .
C2 N1 C14 C5 2.8(9) . .
Mn1 N1 C14 C5 -168.7(5) . .
C2 N1 C14 C13 -177.7(6) . .
Mn1 N1 C14 C13 10.9(7) . .
C4 C5 C14 N1 -3.1(9) . .
C6 C5 C14 N1 177.6(6) . .
C4 C5 C14 C13 177.4(6) . .
C6 C5 C14 C13 -1.9(9) . .
N12 C13 C14 N1 2.4(9) . .
C8 C13 C14 N1 -178.5(6) . .
N12 C13 C14 C5 -178.0(6) . .
C8 C13 C14 C5 1.1(9) . .
C21 C16 C17 C18 0.000(1) . .
Cl15 C16 C17 C18 180.000(1) . .
C16 C17 C18 C19 0.000(1) . .
C17 C18 C19 C20 0.000(1) . .
C17 C18 C19 C22 180.000(1) . .
C18 C19 C20 C21 0.0 . .
C22 C19 C20 C21 180.0 . .
C19 C20 C21 C16 0.0 . .
C17 C16 C21 C20 0.0 . .
Cl15 C16 C21 C20 180.0 . .
C18 C19 C22 O24 0.0 . .
C20 C19 C22 O24 180.0 . .
C18 C19 C22 O23 180.0 . .
C20 C19 C22 O23 0.0 . .
O24 C22 O23 Mn1 -75.2(5) . .
C19 C22 O23 Mn1 104.8(5) . .
O24 C22 O23 Mn1 75.2(5) . 5_565
C19 C22 O23 Mn1 -104.8(5) . 5_565
O23 Mn1 O23 C22 155.9(7) 5_565 .
N12 Mn1 O23 C22 132.3(7) 2 .
N12 Mn1 O23 C22 -31.3(6) . .
N1 Mn1 O23 C22 63.4(6) 2 .
N1 Mn1 O23 C22 -105.0(6) . .
O23 Mn1 O23 Mn1 0.0 5_565 5_565
N12 Mn1 O23 Mn1 -23.5(7) 2 5_565
N12 Mn1 O23 Mn1 172.8(2) . 5_565
N1 Mn1 O23 Mn1 -92.5(2) 2 5_565
N1 Mn1 O23 Mn1 99.1(2) . 5_565
Cl11 Cl11 O11 O31 -125(2) 2_556 2_556
O11 Cl11 O11 O31 -54(2) 2_556 2_556
O21 Cl11 O11 O31 139.8(14) 2_556 2_556
O41 Cl11 O11 O31 68.5(14) . 2_556
O21 Cl11 O11 O31 -174.0(15) . 2_556
O31 Cl11 O11 O31 -53.0(18) . 2_556
O41 Cl11 O11 O31 -123.5(14) 2_556 2_556
O11 Cl11 O11 Cl11 70(4) 2_556 2_556
O21 Cl11 O11 Cl11 -95.6(14) 2_556 2_556
O41 Cl11 O11 Cl11 -166.9(19) . 2_556
O21 Cl11 O11 Cl11 -49.5(12) . 2_556
O31 Cl11 O11 Cl11 72(2) . 2_556
O31 Cl11 O11 Cl11 125(2) 2_556 2_556
O41 Cl11 O11 Cl11 1.0(16) 2_556 2_556
Cl11 Cl11 O21 O21 -95(5) 2_556 2_556
O11 Cl11 O21 O21 143.2(11) 2_556 2_556
O41 Cl11 O21 O21 57.7(12) . 2_556
O31 Cl11 O21 O21 178.1(11) . 2_556
O11 Cl11 O21 O21 -60.8(13) . 2_556
O31 Cl11 O21 O21 -68(2) 2_556 2_556
O41 Cl11 O21 O21 -112.7(10) 2_556 2_556
O11 Cl11 O21 Cl11 -122(5) 2_556 2_556
O21 Cl11 O21 Cl11 95(5) 2_556 2_556
O41 Cl11 O21 Cl11 152(5) . 2_556
O31 Cl11 O21 Cl11 -87(5) . 2_556
O11 Cl11 O21 Cl11 34(4) . 2_556
O31 Cl11 O21 Cl11 27(3) 2_556 2_556
O41 Cl11 O21 Cl11 -18(4) 2_556 2_556
Cl11 Cl11 O21 O41 18(4) 2_556 2_556
O11 Cl11 O21 O41 -104.1(10) 2_556 2_556
O21 Cl11 O21 O41 112.7(10) 2_556 2_556
O41 Cl11 O21 O41 170.4(12) . 2_556
O31 Cl11 O21 O41 -69.2(10) . 2_556
O11 Cl11 O21 O41 51.9(9) . 2_556
O31 Cl11 O21 O41 45(2) 2_556 2_556
Cl11 Cl11 O31 O11 -136(4) 2_556 2_556
O21 Cl11 O31 O11 -53(4) 2_556 2_556
O41 Cl11 O31 O11 59.9(14) . 2_556
O21 Cl11 O31 O11 -59.1(14) . 2_556
O11 Cl11 O31 O11 -179.1(14) . 2_556
O31 Cl11 O31 O11 151.2(17) 2_556 2_556
O41 Cl11 O31 O11 -117.7(14) 2_556 2_556
O11 Cl11 O31 Cl11 136(4) 2_556 2_556
O21 Cl11 O31 Cl11 83(5) 2_556 2_556
O41 Cl11 O31 Cl11 -164(4) . 2_556
O21 Cl11 O31 Cl11 77(4) . 2_556
O11 Cl11 O31 Cl11 -43(3) . 2_556
O31 Cl11 O31 Cl11 -73(4) 2_556 2_556
O41 Cl11 O31 Cl11 18(3) 2_556 2_556
Cl11 Cl11 O41 O21 52(3) 2_556 2_556
O11 Cl11 O41 O21 -130.2(10) 2_556 2_556
O21 Cl11 O41 O21 -44.8(10) . 2_556
O31 Cl11 O41 O21 -165.4(13) . 2_556
O11 Cl11 O41 O21 73.1(10) . 2_556
O31 Cl11 O41 O21 108.2(12) 2_556 2_556
O41 Cl11 O41 O21 3(5) 2_556 2_556
O11 Cl11 O41 Cl11 178(3) 2_556 2_556
O21 Cl11 O41 Cl11 -52(3) 2_556 2_556
O21 Cl11 O41 Cl11 -97(2) . 2_556
O31 Cl11 O41 Cl11 142(4) . 2_556
O11 Cl11 O41 Cl11 21(3) . 2_556
O31 Cl11 O41 Cl11 56(3) 2_556 2_556
O41 Cl11 O41 Cl11 -49(3) 2_556 2_556
