#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:59:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179461 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/58/4335883.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_4335883
loop_
_publ_author_name
'Matteo Atzori'
'Samia Benmansour'
'Guillermo Mínguez Espallargas'
'Miguel Clemente-León'
'Alexandre Abhervé'
'Patricia Gómez-Claramunt'
'Eugenio Coronado'
'Flavia Artizzu'
'Elisa Sessini'
'Paola Deplano'
'Angela Serpe'
'Maria Laura Mercuri'
'Carlos J. Gómez García'
_publ_section_title
;
 A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering
 Temperatures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10031
_journal_page_last               10040
_journal_paper_doi               10.1021/ic4013284
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
'C18 Cl6 Cr Mn O13, 3(C12 H8 N2), H3 O, 2.0(H)'
_chemical_formula_sum            'C54 H29 Cl6 Cr Mn N6 O14'
_chemical_formula_weight         1305.47
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           143
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   13.7991(2)
_cell_length_b                   13.7991(2)
_cell_length_c                   9.0281(3)
_cell_measurement_reflns_used    4460
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      24.9972
_cell_measurement_theta_min      3.4027
_cell_volume                     1488.77(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.0267
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'SuperNova, Single source at offset), Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            28640
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         3.41
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_description       block
_exptl_crystal_F_000             658
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.028
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.118
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         3511
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0559
_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)+(0.1205P)²+0.2223P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1620
_refine_ls_wR_factor_ref         0.1763
_reflns_number_gt                3023
_reflns_number_total             3511
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4013284_si_001.cif
_cod_data_source_block           gui1
_cod_database_code               4335883
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, 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
Cr1 Cr 1.0000 1.0000 0.6266(2) 0.0163(3) Uani 1 3 d S .
Mn1 Mn 0.6667 0.3333 0.6926(7) 0.0432(17) Uani 0.498(8) 3 d SPD 1
O1W O 0.6667 0.3333 0.9562(17) 0.051(4) Uani 0.498(8) 3 d SPD 1
H1W H 0.601(7) 0.281(14) 1.008(3) 0.061 Uiso 0.332(6) 1 d PD 1
C1 C 0.9205(10) 0.6821(10) 0.7499(15) 0.012(3) Uiso 0.498(8) 1 d P 1
Cl1 Cl 1.0193(9) 0.6924(8) 0.8780(16) 0.0281(18) Uani 0.498(8) 1 d P 1
C2 C 0.9274(11) 0.7785(11) 0.6984(16) 0.007(4) Uiso 0.498(8) 1 d P 1
O2 O 0.9923(8) 0.8746(8) 0.7495(12) 0.008(3) Uiso 0.498(8) 1 d P 1
C3 C 0.8552(18) 0.7760(17) 0.579(2) 0.033(7) Uiso 0.498(8) 1 d P 1
O3 O 0.8756(12) 0.8727(12) 0.5298(15) 0.032(5) Uiso 0.498(8) 1 d P 1
C4 C 0.7628(13) 0.6713(13) 0.5348(19) 0.031(5) Uiso 0.498(8) 1 d P 1
Cl4 Cl 0.6725(14) 0.6667(11) 0.388(2) 0.0290(18) Uani 0.498(8) 1 d P 1
C5 C 0.7521(9) 0.5716(9) 0.5918(15) 0.020(3) Uiso 0.498(8) 1 d P 1
O5 O 0.6766(6) 0.4763(7) 0.5544(10) 0.027(2) Uiso 0.498(8) 1 d P 1
C6 C 0.8348(8) 0.5786(8) 0.7060(12) 0.011(2) Uiso 0.498(8) 1 d P 1
O6 O 0.8168(6) 0.4872(6) 0.7602(9) 0.0214(18) Uiso 0.498(8) 1 d P 1
Mn1' Mn 0.6667 0.3333 0.5616(7) 0.0456(19) Uani 0.502(8) 3 d SPD 2
O1W' O 0.6667 0.3333 0.2993(18) 0.051(4) Uiso 0.502(8) 3 d SPD 2
H1W' H 0.732(8) 0.389(13) 0.247(3) 0.061 Uiso 0.334(6) 1 d PD 2
C1' C 0.9072(15) 0.6707(15) 0.720(2) 0.037(5) Uiso 0.502(8) 1 d P 2
Cl1' Cl 0.9950(9) 0.6656(8) 0.8593(17) 0.0267(16) Uani 0.502(8) 1 d P 2
C2' C 0.9201(16) 0.7754(15) 0.673(2) 0.029(6) Uiso 0.502(8) 1 d P 2
O2' O 0.9974(11) 0.8727(11) 0.7238(14) 0.029(5) Uiso 0.502(8) 1 d P 2
C3' C 0.8505(12) 0.7779(11) 0.5566(16) 0.005(4) Uiso 0.502(8) 1 d P 2
O3' O 0.8823(8) 0.8747(8) 0.5041(12) 0.008(3) Uiso 0.502(8) 1 d P 2
C4' C 0.7620(10) 0.6830(10) 0.5015(15) 0.014(3) Uiso 0.502(8) 1 d P 2
Cl4' Cl 0.6711(14) 0.6913(10) 0.378(2) 0.032(2) Uani 0.502(8) 1 d P 2
C5' C 0.7444(8) 0.5788(9) 0.5465(14) 0.015(3) Uiso 0.502(8) 1 d P 2
O5' O 0.6700(6) 0.4866(6) 0.4935(9) 0.0232(19) Uiso 0.502(8) 1 d P 2
C6' C 0.8181(10) 0.5709(9) 0.6595(15) 0.023(3) Uiso 0.502(8) 1 d P 2
O6' O 0.7993(7) 0.4754(7) 0.7001(10) 0.027(2) Uiso 0.502(8) 1 d P 2
N11 N 0.8883(4) 0.7772(3) 0.1269(5) 0.0284(10) Uani 1 1 d . .
C12 C 0.9227(5) 0.7200(5) 0.2092(6) 0.0313(12) Uani 1 1 d . .
C13 C 1.0193(5) 0.7779(6) 0.3009(7) 0.0365(14) Uani 1 1 d . .
H13 H 1.0612 0.8574 0.3014 0.044 Uiso 1 1 calc R .
C14 C 1.0508(7) 0.7165(7) 0.3891(8) 0.0505(18) Uani 1 1 d . .
H14 H 1.1129 0.7545 0.4540 0.061 Uiso 1 1 calc R .
C15 C 0.9932(8) 0.5994(7) 0.3846(9) 0.062(2) Uani 1 1 d . .
H15 H 1.0187 0.5596 0.4436 0.074 Uiso 1 1 calc R .
C16 C 0.9018(9) 0.5417(7) 0.2978(8) 0.063(2) Uani 1 1 d . .
H16 H 0.8640 0.4622 0.2964 0.076 Uiso 1 1 calc R .
C17 C 0.8623(6) 0.6000(5) 0.2085(6) 0.0449(16) Uani 1 1 d . .
N18 N 0.7716(5) 0.5419(4) 0.1262(6) 0.0501(15) Uani 1 1 d . .
C19 C 0.7374(6) 0.6001(5) 0.0442(7) 0.0456(16) Uani 1 1 d . .
C20 C 0.6397(7) 0.5430(7) -0.0446(8) 0.065(2) Uani 1 1 d . .
H20 H 0.5976 0.4636 -0.0422 0.078 Uiso 1 1 calc R .
C21 C 0.6058(6) 0.5992(7) -0.1316(9) 0.059(2) Uani 1 1 d . .
H21 H 0.5415 0.5594 -0.1923 0.070 Uiso 1 1 calc R .
C22 C 0.6656(5) 0.7170(7) -0.1334(8) 0.0496(17) Uani 1 1 d . .
H22 H 0.6404 0.7554 -0.1957 0.059 Uiso 1 1 calc R .
C23 C 0.7583(5) 0.7777(6) -0.0485(7) 0.0368(14) Uani 1 1 d . .
H23 H 0.7965 0.8571 -0.0508 0.044 Uiso 1 1 calc R .
C24 C 0.7973(5) 0.7204(4) 0.0440(6) 0.0319(12) Uani 1 1 d . .
O11W O 1.0000 1.0000 0.1294(15) 0.0577(19) Uiso 1 3 d SD .
H11W H 0.958(8) 1.037(8) 0.105(8) 0.087 Uiso 1 1 d D .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cr Cr 0.3209 0.6236 '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
O3 Cr1 O3 101.3(5) . 3_675
O3 Cr1 O3 101.3(5) . 2_765
O3 Cr1 O3 101.3(5) 3_675 2_765
O3 Cr1 O2' 178.0(6) . 2_765
O3 Cr1 O2' 80.2(6) 3_675 2_765
O3 Cr1 O2' 77.2(5) 2_765 2_765
O3 Cr1 O2' 77.2(5) . .
O3 Cr1 O2' 178.0(6) 3_675 .
O3 Cr1 O2' 80.2(6) 2_765 .
O2' Cr1 O2' 101.3(5) 2_765 .
O3 Cr1 O2' 80.2(6) . 3_675
O3 Cr1 O2' 77.2(5) 3_675 3_675
O3 Cr1 O2' 178.0(6) 2_765 3_675
O2' Cr1 O2' 101.3(5) 2_765 3_675
O2' Cr1 O2' 101.3(5) . 3_675
O3 Cr1 O3' 6.9(6) . .
O3 Cr1 O3' 98.5(5) 3_675 .
O3 Cr1 O3' 95.9(6) 2_765 .
O2' Cr1 O3' 172.5(5) 2_765 .
O2' Cr1 O3' 80.2(5) . .
O2' Cr1 O3' 85.5(4) 3_675 .
O3 Cr1 O3' 98.5(5) . 2_765
O3 Cr1 O3' 95.9(6) 3_675 2_765
O3 Cr1 O3' 6.9(6) 2_765 2_765
O2' Cr1 O3' 80.2(5) 2_765 2_765
O2' Cr1 O3' 85.5(4) . 2_765
O2' Cr1 O3' 172.5(5) 3_675 2_765
O3' Cr1 O3' 92.7(4) . 2_765
O3 Cr1 O3' 95.9(6) . 3_675
O3 Cr1 O3' 6.9(6) 3_675 3_675
O3 Cr1 O3' 98.5(5) 2_765 3_675
O2' Cr1 O3' 85.5(4) 2_765 3_675
O2' Cr1 O3' 172.5(5) . 3_675
O2' Cr1 O3' 80.2(5) 3_675 3_675
O3' Cr1 O3' 92.7(4) . 3_675
O3' Cr1 O3' 92.7(4) 2_765 3_675
O3 Cr1 O2 172.3(5) . 2_765
O3 Cr1 O2 85.7(4) 3_675 2_765
O3 Cr1 O2 80.1(5) 2_765 2_765
O2' Cr1 O2 6.9(6) 2_765 2_765
O2' Cr1 O2 95.8(6) . 2_765
O2' Cr1 O2 98.5(5) 3_675 2_765
O3' Cr1 O2 174.8(4) . 2_765
O3' Cr1 O2 83.8(4) 2_765 2_765
O3' Cr1 O2 91.3(4) 3_675 2_765
O3 Cr1 O2 80.1(5) . .
O3 Cr1 O2 172.3(5) 3_675 .
O3 Cr1 O2 85.7(4) 2_765 .
O2' Cr1 O2 98.5(5) 2_765 .
O2' Cr1 O2 6.9(6) . .
O2' Cr1 O2 95.8(6) 3_675 .
O3' Cr1 O2 83.8(4) . .
O3' Cr1 O2 91.3(4) 2_765 .
O3' Cr1 O2 174.8(4) 3_675 .
O2 Cr1 O2 92.5(4) 2_765 .
O3 Cr1 O2 85.7(4) . 3_675
O3 Cr1 O2 80.1(5) 3_675 3_675
O3 Cr1 O2 172.3(5) 2_765 3_675
O2' Cr1 O2 95.8(6) 2_765 3_675
O2' Cr1 O2 98.5(5) . 3_675
O2' Cr1 O2 6.9(6) 3_675 3_675
O3' Cr1 O2 91.3(4) . 3_675
O3' Cr1 O2 174.8(4) 2_765 3_675
O3' Cr1 O2 83.8(4) 3_675 3_675
O2 Cr1 O2 92.5(4) 2_765 3_675
O2 Cr1 O2 92.5(4) . 3_675
O6 Mn1 O6 112.5(2) 3_665 .
O6 Mn1 O6 112.5(2) 3_665 2_655
O6 Mn1 O6 112.5(2) . 2_655
O6 Mn1 O5 72.2(3) 3_665 3_665
O6 Mn1 O5 79.1(3) . 3_665
O6 Mn1 O5 162.5(4) 2_655 3_665
O6 Mn1 O5 79.1(3) 3_665 2_655
O6 Mn1 O5 162.5(4) . 2_655
O6 Mn1 O5 72.2(3) 2_655 2_655
O5 Mn1 O5 92.9(3) 3_665 2_655
O6 Mn1 O5 162.5(4) 3_665 .
O6 Mn1 O5 72.2(3) . .
O6 Mn1 O5 79.1(3) 2_655 .
O5 Mn1 O5 92.9(3) 3_665 .
O5 Mn1 O5 92.9(3) 2_655 .
O6 Mn1 O1W 73.8(3) 3_665 .
O6 Mn1 O1W 73.8(3) . .
O6 Mn1 O1W 73.8(3) 2_655 .
O5 Mn1 O1W 123.2(2) 3_665 .
O5 Mn1 O1W 123.2(2) 2_655 .
O5 Mn1 O1W 123.2(2) . .
Mn1 O1W H1W 119(3) . .
C2 C1 C6 121.1(12) . .
C2 C1 Cl1 118.4(11) . .
C6 C1 Cl1 120.4(9) . .
O2 C2 C1 124.6(13) . .
O2 C2 C3 114.4(13) . .
C1 C2 C3 121.0(14) . .
C2 O2 Cr1 114.1(9) . .
O3 C3 C4 124.8(18) . .
O3 C3 C2 115.8(17) . .
C4 C3 C2 119.1(16) . .
C3 O3 Cr1 114.5(13) . .
C5 C4 C3 119.5(16) . .
C5 C4 Cl4 120.2(13) . .
C3 C4 Cl4 119.7(14) . .
O5 C5 C4 123.8(14) . .
O5 C5 C6 117.3(11) . .
C4 C5 C6 118.9(11) . .
C5 O5 Mn1 114.9(9) . .
O6 C6 C1 124.4(11) . .
O6 C6 C5 116.1(9) . .
C1 C6 C5 119.5(9) . .
C6 O6 Mn1 118.9(7) . .
O5' Mn1' O5' 112.4(2) 3_665 2_655
O5' Mn1' O5' 112.4(2) 3_665 .
O5' Mn1' O5' 112.4(2) 2_655 .
O5' Mn1' O6' 72.6(3) 3_665 3_665
O5' Mn1' O6' 79.1(3) 2_655 3_665
O5' Mn1' O6' 162.5(4) . 3_665
O5' Mn1' O6' 79.1(3) 3_665 .
O5' Mn1' O6' 162.5(4) 2_655 .
O5' Mn1' O6' 72.6(3) . .
O6' Mn1' O6' 92.7(3) 3_665 .
O5' Mn1' O6' 162.5(4) 3_665 2_655
O5' Mn1' O6' 72.6(3) 2_655 2_655
O5' Mn1' O6' 79.1(3) . 2_655
O6' Mn1' O6' 92.7(3) 3_665 2_655
O6' Mn1' O6' 92.7(3) . 2_655
O5' Mn1' O1W' 73.6(3) 3_665 .
O5' Mn1' O1W' 73.6(3) 2_655 .
O5' Mn1' O1W' 73.6(3) . .
O6' Mn1' O1W' 123.4(2) 3_665 .
O6' Mn1' O1W' 123.4(2) . .
O6' Mn1' O1W' 123.4(2) 2_655 .
Mn1' O1W' H1W' 119(3) . .
C6' C1' C2' 118.5(16) . .
C6' C1' Cl1' 120.9(13) . .
C2' C1' Cl1' 120.5(14) . .
O2' C2' C1' 124.1(17) . .
O2' C2' C3' 116.2(15) . .
C1' C2' C3' 119.6(16) . .
C2' O2' Cr1 114.0(12) . .
O3' C3' C4' 123.1(13) . .
O3' C3' C2' 114.5(13) . .
C4' C3' C2' 122.3(13) . .
C3' O3' Cr1 113.8(9) . .
C3' C4' C5' 119.7(12) . .
C3' C4' Cl4' 120.4(11) . .
C5' C4' Cl4' 120.0(10) . .
O5' C5' C4' 124.3(11) . .
O5' C5' C6' 115.4(10) . .
C4' C5' C6' 120.3(10) . .
C5' O5' Mn1' 118.8(8) . .
O6' C6' C1' 121.8(14) . .
O6' C6' C5' 119.1(11) . .
C1' C6' C5' 119.2(11) . .
C6' O6' Mn1' 113.4(9) . .
C24 N11 C12 118.4(5) . .
N11 C12 C13 120.1(5) . .
N11 C12 C17 120.6(5) . .
C13 C12 C17 119.3(6) . .
C14 C13 C12 118.9(6) . .
C14 C13 H13 120.6 . .
C12 C13 H13 120.6 . .
C13 C14 C15 121.3(7) . .
C13 C14 H14 119.3 . .
C15 C14 H14 119.3 . .
C16 C15 C14 121.4(7) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C15 C16 C17 120.1(7) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
N18 C17 C16 119.1(6) . .
N18 C17 C12 121.9(6) . .
C16 C17 C12 119.0(7) . .
C17 N18 C19 117.1(5) . .
N18 C19 C20 120.0(6) . .
N18 C19 C24 121.4(6) . .
C20 C19 C24 118.6(7) . .
C21 C20 C19 121.2(7) . .
C21 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
C20 C21 C22 120.1(7) . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C23 C22 C21 122.1(7) . .
C23 C22 H22 118.9 . .
C21 C22 H22 118.9 . .
C22 C23 C24 119.2(6) . .
C22 C23 H23 120.4 . .
C24 C23 H23 120.4 . .
N11 C24 C23 120.6(5) . .
N11 C24 C19 120.6(6) . .
C23 C24 C19 118.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 O3 1.944(14) .
Cr1 O3 1.944(14) 3_675
Cr1 O3 1.944(14) 2_765
Cr1 O2' 1.948(14) 2_765
Cr1 O2' 1.948(14) .
Cr1 O2' 1.948(14) 3_675
Cr1 O3' 2.011(10) .
Cr1 O3' 2.011(10) 2_765
Cr1 O3' 2.011(10) 3_675
Cr1 O2 2.013(10) 2_765
Cr1 O2 2.013(10) .
Cr1 O2 2.013(10) 3_675
Mn1 O6 2.185(8) 3_665
Mn1 O6 2.185(8) .
Mn1 O6 2.185(8) 2_655
Mn1 O5 2.281(9) 3_665
Mn1 O5 2.281(9) 2_655
Mn1 O5 2.281(9) .
Mn1 O1W 2.379(17) .
O1W H1W 0.96(2) .
C1 C2 1.367(19) .
C1 C6 1.380(16) .
C1 Cl1 1.739(18) .
C2 O2 1.260(17) .
C2 C3 1.46(2) .
C3 O3 1.30(2) .
C3 C4 1.43(3) .
C4 C5 1.40(2) .
C4 Cl4 1.80(2) .
C5 O5 1.249(14) .
C5 C6 1.506(16) .
C6 O6 1.255(12) .
Mn1' O5' 2.182(8) 3_665
Mn1' O5' 2.182(8) 2_655
Mn1' O5' 2.182(8) .
Mn1' O6' 2.273(9) 3_665
Mn1' O6' 2.273(9) .
Mn1' O6' 2.273(9) 2_655
Mn1' O1W' 2.369(18) .
O1W' H1W' 0.96(2) .
C1' C6' 1.42(2) .
C1' C2' 1.43(3) .
C1' Cl1' 1.77(2) .
C2' O2' 1.31(2) .
C2' C3' 1.44(2) .
C3' O3' 1.271(18) .
C3' C4' 1.362(19) .
C4' C5' 1.394(16) .
C4' Cl4' 1.725(19) .
C5' O5' 1.263(12) .
C5' C6' 1.483(17) .
C6' O6' 1.263(14) .
N11 C24 1.329(7) .
N11 C12 1.332(7) .
C12 C13 1.427(9) .
C12 C17 1.433(8) .
C13 C14 1.383(9) .
C13 H13 0.9500 .
C14 C15 1.400(12) .
C14 H14 0.9500 .
C15 C16 1.354(12) .
C15 H15 0.9500 .
C16 C17 1.427(10) .
C16 H16 0.9500 .
C17 N18 1.326(9) .
N18 C19 1.340(10) .
C19 C20 1.420(10) .
C19 C24 1.438(8) .
C20 C21 1.341(12) .
C20 H20 0.9500 .
C21 C22 1.409(12) .
C21 H21 0.9500 .
C22 C23 1.361(9) .
C22 H22 0.9500 .
C23 C24 1.428(9) .
C23 H23 0.9500 .
O11W H11W 0.97(2) .
