#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:12:04 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179884 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/80/7018056.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_7018056
loop_
_publ_author_name
'Ke, Hongshan'
'Zhao, Lang'
'Guo, Yang'
'Tang, Jinkui'
_publ_section_title
;
 Heterobimetallic hexanuclear [Mn(ΙΙΙ)(4)Ln(ΙΙΙ)(2)] clusters: A
 rare Mn(ΙΙΙ)(4)Nd(ΙΙΙ)(2) example exhibiting slow relaxation of
 magnetization.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2314
_journal_page_last               2319
_journal_paper_doi               10.1039/c2dt11922f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C68 H116 Cl2 La2 Mn4 N4 O48'
_chemical_formula_weight         2326.13
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 106.2960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.3143(7)
_cell_length_b                   22.1979(11)
_cell_length_c                   16.4153(7)
_cell_measurement_temperature    176(2)
_cell_volume                     4656.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      176(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30473
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.577
_exptl_absorpt_correction_T_max  0.7432
_exptl_absorpt_correction_T_min  0.6938
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.893
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     598
_refine_ls_number_reflns         9156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0589P)²+5.6739P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1127
_reflns_number_gt                7456
_reflns_number_total             9156
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11922f.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7018056
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-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
La1 La 0.284856(17) 0.561931(10) 0.389099(14) 0.01892(8) Uani 1 1 d . . .
Mn1 Mn 0.23713(5) 0.71341(3) 0.42142(4) 0.02250(15) Uani 1 1 d . . .
Mn2 Mn 0.42608(4) 0.45037(3) 0.53015(4) 0.01774(14) Uani 1 1 d . . .
Cl1 Cl 0.19891(10) 0.34893(6) 0.95912(8) 0.0409(3) Uani 1 1 d . . .
N1 N 0.0953(3) 0.74245(15) 0.4209(2) 0.0226(7) Uani 1 1 d . B .
N2 N 0.4179(2) 0.36088(14) 0.5306(2) 0.0204(7) Uani 1 1 d . . .
O1 O 0.2869(2) 0.79221(13) 0.4183(2) 0.0332(7) Uani 1 1 d . B .
O2 O 0.4104(3) 0.8864(2) 0.4580(4) 0.0782(15) Uani 1 1 d . . .
O3 O -0.1196(2) 0.65611(14) 0.4724(2) 0.0339(7) Uani 1 1 d . . .
H3A H -0.0788 0.6296 0.4998 0.051 Uiso 1 1 calc R . .
O4 O -0.0806(3) 0.72864(15) 0.2805(2) 0.0432(9) Uani 1 1 d . . .
H4A H -0.1097 0.7203 0.2294 0.065 Uiso 1 1 calc R . .
O5 O 0.1793(2) 0.63806(12) 0.43132(18) 0.0248(6) Uani 1 1 d . . .
O6 O 0.3394(2) 0.45251(12) 0.41525(17) 0.0207(6) Uani 1 1 d . . .
O7 O 0.2842(2) 0.48412(13) 0.25616(17) 0.0273(6) Uani 1 1 d . . .
O8 O 0.6384(2) 0.32989(12) 0.58000(18) 0.0232(6) Uani 1 1 d . . .
O9 O 0.3012(2) 0.31842(13) 0.64502(19) 0.0298(7) Uani 1 1 d . . .
H9 H 0.3110 0.3493 0.6758 0.045 Uiso 1 1 calc R . .
O10 O 0.5328(2) 0.43760(11) 0.63247(17) 0.0203(6) Uani 1 1 d . . .
O11 O 0.3027(2) 0.45565(13) 0.58906(19) 0.0272(7) Uani 1 1 d . . .
O12 O 0.2040(2) 0.51916(13) 0.49522(18) 0.0280(7) Uani 1 1 d . . .
O13 O 0.4341(2) 0.53773(12) 0.52439(16) 0.0194(6) Uani 1 1 d . . .
O14 O 0.1032(2) 0.51525(14) 0.32232(19) 0.0325(7) Uani 1 1 d . . .
H14A H 0.0766 0.4932 0.3613 0.039 Uiso 1 1 calc R . .
O15 O 0.2201(2) 0.61784(13) 0.25634(18) 0.0299(7) Uani 1 1 d . . .
O16 O 0.1921(2) 0.71473(13) 0.27780(18) 0.0281(7) Uani 1 1 d . . .
O17 O 0.2978(3) 0.72390(16) 0.5671(2) 0.0400(8) Uani 1 1 d . . .
H17 H 0.2575 0.7067 0.6007 0.048 Uiso 1 1 calc R . .
O18 O 0.6888(5) 0.6165(3) 0.2137(3) 0.106(2) Uani 1 1 d . . .
H18A H 0.6520 0.6377 0.1741 0.159 Uiso 1 1 calc R . .
O19 O 0.9463(3) 0.59314(15) 0.6232(2) 0.0427(8) Uani 1 1 d . . .
O20 O 0.2231(5) 0.68455(19) 0.6910(3) 0.0793(16) Uani 1 1 d . . .
H20A H 0.2308 0.7119 0.7276 0.119 Uiso 1 1 calc R . .
O21 O 0.2681(5) 0.4007(3) 0.9810(5) 0.120(2) Uani 1 1 d . A .
O22 O 0.2610(6) 0.3040(3) 0.9987(5) 0.150(3) Uani 1 1 d . A .
O23 O 0.1194(4) 0.3599(2) 0.9990(3) 0.0745(13) Uani 1 1 d . A .
O24 O 0.1636(5) 0.3462(5) 0.8764(4) 0.181(4) Uani 1 1 d . A 1
C1 C 0.2423(4) 0.84315(19) 0.4306(3) 0.0300(10) Uani 1 1 d . . .
C2 C 0.3060(4) 0.8951(2) 0.4495(4) 0.0438(12) Uani 1 1 d . B .
C3 C 0.2622(5) 0.9505(2) 0.4582(4) 0.0456(13) Uani 1 1 d . . .
H3 H 0.3058 0.9851 0.4698 0.055 Uiso 1 1 calc R B .
C4 C 0.1570(4) 0.9567(2) 0.4504(3) 0.0388(12) Uani 1 1 d . B .
H4 H 0.1281 0.9952 0.4549 0.047 Uiso 1 1 calc R . .
C5 C 0.0942(4) 0.9062(2) 0.4359(3) 0.0337(10) Uani 1 1 d . . .
H5 H 0.0219 0.9100 0.4319 0.040 Uiso 1 1 calc R B .
C6 C 0.1361(3) 0.84878(18) 0.4270(3) 0.0260(9) Uani 1 1 d . B .
C7 C 0.0667(3) 0.79798(18) 0.4195(3) 0.0250(9) Uani 1 1 d . . .
H7 H -0.0052 0.8060 0.4132 0.030 Uiso 1 1 calc R B .
C8 C 0.4765(8) 0.9331(6) 0.4667(15) 0.144(10) Uani 0.68(2) 1 d P B 1
C8' C 0.4606(18) 0.8865(9) 0.4074(17) 0.075(10) Uani 0.32(2) 1 d P B 2
C9 C 0.0194(3) 0.69219(18) 0.4161(3) 0.0241(9) Uani 1 1 d . . .
C10 C -0.0616(3) 0.70794(19) 0.4639(3) 0.0280(9) Uani 1 1 d . B .
H10A H -0.0253 0.7240 0.5208 0.034 Uiso 1 1 calc R . .
H10B H -0.1097 0.7394 0.4323 0.034 Uiso 1 1 calc R . .
C11 C -0.0328(3) 0.67614(19) 0.3235(3) 0.0300(10) Uani 1 1 d . B .
H11A H 0.0200 0.6606 0.2967 0.036 Uiso 1 1 calc R . .
H11B H -0.0861 0.6444 0.3201 0.036 Uiso 1 1 calc R . .
C12 C 0.0878(3) 0.63944(19) 0.4594(3) 0.0262(9) Uani 1 1 d . B .
H12A H 0.1070 0.6445 0.5218 0.031 Uiso 1 1 calc R . .
H12B H 0.0488 0.6011 0.4447 0.031 Uiso 1 1 calc R . .
C13 C 0.2871(3) 0.42316(19) 0.2723(3) 0.0248(9) Uani 1 1 d . . .
C14 C 0.2630(3) 0.3787(2) 0.2105(3) 0.0313(10) Uani 1 1 d . . .
H14 H 0.2417 0.3896 0.1522 0.038 Uiso 1 1 calc R . .
C15 C 0.2697(4) 0.3189(2) 0.2335(3) 0.0332(10) Uani 1 1 d . . .
H15 H 0.2516 0.2887 0.1909 0.040 Uiso 1 1 calc R . .
C16 C 0.3023(3) 0.3026(2) 0.3172(3) 0.0316(10) Uani 1 1 d . . .
H16 H 0.3069 0.2611 0.3322 0.038 Uiso 1 1 calc R . .
C17 C 0.3290(3) 0.34660(18) 0.3812(3) 0.0237(9) Uani 1 1 d . . .
C18 C 0.3185(3) 0.40794(17) 0.3585(2) 0.0193(8) Uani 1 1 d . . .
C19 C 0.2803(5) 0.5016(2) 0.1714(3) 0.0495(14) Uani 1 1 d . . .
H19A H 0.3397 0.4838 0.1558 0.074 Uiso 1 1 calc R . .
H19B H 0.2838 0.5456 0.1681 0.074 Uiso 1 1 calc R . .
H19C H 0.2148 0.4873 0.1322 0.074 Uiso 1 1 calc R . .
C20 C 0.3735(3) 0.32696(18) 0.4682(3) 0.0240(9) Uani 1 1 d . . .
H20 H 0.3692 0.2852 0.4796 0.029 Uiso 1 1 calc R . .
C21 C 0.4714(3) 0.33384(18) 0.6156(3) 0.0237(9) Uani 1 1 d . . .
C22 C 0.5648(3) 0.29638(18) 0.6081(3) 0.0256(9) Uani 1 1 d . . .
H22A H 0.6000 0.2787 0.6642 0.031 Uiso 1 1 calc R . .
H22B H 0.5390 0.2628 0.5680 0.031 Uiso 1 1 calc R . .
C23 C 0.3978(3) 0.29237(19) 0.6474(3) 0.0281(9) Uani 1 1 d . . .
H23A H 0.3851 0.2553 0.6124 0.034 Uiso 1 1 calc R . .
H23B H 0.4333 0.2803 0.7066 0.034 Uiso 1 1 calc R . .
C24 C 0.5051(3) 0.38734(18) 0.6757(3) 0.0234(9) Uani 1 1 d . . .
H24A H 0.4471 0.3988 0.6993 0.028 Uiso 1 1 calc R . .
H24B H 0.5657 0.3756 0.7235 0.028 Uiso 1 1 calc R . .
C25 C 0.2208(3) 0.48660(18) 0.5598(3) 0.0255(9) Uani 1 1 d . . .
C26 C 0.1382(4) 0.4852(2) 0.6059(3) 0.0427(13) Uani 1 1 d . . .
H26A H 0.1382 0.5236 0.6355 0.064 Uiso 1 1 calc R . .
H26B H 0.1528 0.4522 0.6473 0.064 Uiso 1 1 calc R . .
H26C H 0.0695 0.4789 0.5651 0.064 Uiso 1 1 calc R . .
C27 C 0.4302(3) 0.5731(2) 0.5971(3) 0.0295(10) Uani 1 1 d . . .
H27A H 0.3579 0.5751 0.6002 0.044 Uiso 1 1 calc R . .
H27B H 0.4558 0.6138 0.5917 0.044 Uiso 1 1 calc R . .
H27C H 0.4743 0.5542 0.6488 0.044 Uiso 1 1 calc R . .
C28 C 0.0349(4) 0.5161(2) 0.2382(3) 0.0419(12) Uani 1 1 d . . .
H28A H 0.0453 0.5536 0.2100 0.063 Uiso 1 1 calc R . .
H28B H -0.0378 0.5138 0.2402 0.063 Uiso 1 1 calc R . .
H28C H 0.0503 0.4816 0.2064 0.063 Uiso 1 1 calc R . .
C29 C 0.1851(3) 0.6694(2) 0.2309(3) 0.0277(9) Uani 1 1 d . . .
C30 C 0.1307(4) 0.6752(2) 0.1379(3) 0.0464(13) Uani 1 1 d . . .
H30A H 0.1801 0.6660 0.1052 0.070 Uiso 1 1 calc R . .
H30B H 0.1048 0.7165 0.1255 0.070 Uiso 1 1 calc R . .
H30C H 0.0718 0.6470 0.1222 0.070 Uiso 1 1 calc R . .
C31 C 0.3905(4) 0.7541(3) 0.6089(4) 0.0611(17) Uani 1 1 d . . .
H31A H 0.4146 0.7779 0.5677 0.092 Uiso 1 1 calc R . .
H31B H 0.4443 0.7246 0.6359 0.092 Uiso 1 1 calc R . .
H31C H 0.3774 0.7809 0.6522 0.092 Uiso 1 1 calc R . .
C32 C 0.6649(9) 0.5534(5) 0.1953(6) 0.131(4) Uani 1 1 d . . .
H32A H 0.7250 0.5334 0.1836 0.197 Uiso 1 1 calc R . .
H32B H 0.6038 0.5499 0.1456 0.197 Uiso 1 1 calc R . .
H32C H 0.6496 0.5342 0.2442 0.197 Uiso 1 1 calc R . .
C33 C 0.9603(5) 0.6402(3) 0.6827(4) 0.0545(15) Uani 1 1 d . . .
H33A H 0.9609 0.6237 0.7382 0.082 Uiso 1 1 calc R . .
H33B H 0.9028 0.6691 0.6643 0.082 Uiso 1 1 calc R . .
H33C H 1.0269 0.6605 0.6871 0.082 Uiso 1 1 calc R . .
C34 C 0.2539(10) 0.6325(4) 0.7292(6) 0.142(5) Uani 1 1 d . . .
H34A H 0.3236 0.6372 0.7692 0.213 Uiso 1 1 calc R . .
H34B H 0.2567 0.6020 0.6867 0.213 Uiso 1 1 calc R . .
H34C H 0.2043 0.6196 0.7600 0.213 Uiso 1 1 calc R . .
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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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
O5 La1 O15 79.23(10) . .
O5 La1 O12 70.41(9) . .
O15 La1 O12 134.97(10) . .
O5 La1 O6 141.41(9) . .
O15 La1 O6 130.49(9) . .
O12 La1 O6 71.01(9) . .
O5 La1 O10 133.54(9) . 3_666
O15 La1 O10 89.16(9) . 3_666
O12 La1 O10 135.82(9) . 3_666
O6 La1 O10 77.82(8) . 3_666
O5 La1 O14 81.45(10) . .
O15 La1 O14 76.76(10) . .
O12 La1 O14 66.67(10) . .
O6 La1 O14 82.93(9) . .
O10 La1 O14 139.41(9) 3_666 .
O5 La1 O13 105.49(9) . .
O15 La1 O13 149.80(9) . .
O12 La1 O13 72.40(9) . .
O6 La1 O13 62.71(8) . .
O10 La1 O13 65.68(8) 3_666 .
O14 La1 O13 133.24(9) . .
O5 La1 O8 61.84(9) . 3_666
O15 La1 O8 74.12(9) . 3_666
O12 La1 O8 116.14(9) . 3_666
O6 La1 O8 140.54(9) . 3_666
O10 La1 O8 71.71(8) 3_666 3_666
O14 La1 O8 136.41(9) . 3_666
O13 La1 O8 81.91(8) . 3_666
O5 La1 O7 141.64(9) . .
O15 La1 O7 72.13(9) . .
O12 La1 O7 114.02(9) . .
O6 La1 O7 58.39(8) . .
O10 La1 O7 71.76(9) 3_666 .
O14 La1 O7 67.70(9) . .
O13 La1 O7 112.15(8) . .
O8 La1 O7 129.81(9) 3_666 .
O5 La1 Mn1 30.53(6) . .
O15 La1 Mn1 67.22(7) . .
O12 La1 Mn1 97.39(7) . .
O6 La1 Mn1 162.24(6) . .
O10 La1 Mn1 103.78(6) 3_666 .
O14 La1 Mn1 105.24(7) . .
O13 La1 Mn1 101.44(6) . .
O8 La1 Mn1 32.86(6) 3_666 .
O7 La1 Mn1 139.20(6) . .
O5 La1 Mn2 125.18(7) . 3_666
O15 La1 Mn2 115.24(7) . 3_666
O12 La1 Mn2 109.39(7) . 3_666
O6 La1 Mn2 69.53(6) . 3_666
O10 La1 Mn2 28.09(6) 3_666 3_666
O14 La1 Mn2 151.38(7) . 3_666
O13 La1 Mn2 37.68(6) . 3_666
O8 La1 Mn2 71.77(6) 3_666 3_666
O7 La1 Mn2 90.52(6) . 3_666
Mn1 La1 Mn2 103.375(14) . 3_666
O5 Mn1 O1 174.17(13) . .
O5 Mn1 O8 86.05(12) . 3_666
O1 Mn1 O8 98.82(13) . 3_666
O5 Mn1 N1 82.93(13) . .
O1 Mn1 N1 92.28(13) . .
O8 Mn1 N1 168.84(13) 3_666 .
O5 Mn1 O16 96.14(12) . .
O1 Mn1 O16 87.24(13) . .
O8 Mn1 O16 88.35(11) 3_666 .
N1 Mn1 O16 91.01(12) . .
O5 Mn1 O17 91.89(13) . .
O1 Mn1 O17 84.88(14) . .
O8 Mn1 O17 90.62(12) 3_666 .
N1 Mn1 O17 91.56(13) . .
O16 Mn1 O17 171.81(12) . .
O5 Mn1 La1 41.18(8) . .
O1 Mn1 La1 144.41(10) . .
O8 Mn1 La1 47.31(8) 3_666 .
N1 Mn1 La1 121.59(10) . .
O16 Mn1 La1 81.98(7) . .
O17 Mn1 La1 103.22(9) . .
O10 Mn2 O6 166.51(12) . .
O10 Mn2 O13 98.88(11) . .
O6 Mn2 O13 87.35(11) . .
O10 Mn2 N2 82.85(12) . .
O6 Mn2 N2 90.57(12) . .
O13 Mn2 N2 177.44(13) . .
O10 Mn2 O11 95.06(12) . .
O6 Mn2 O11 96.73(12) . .
O13 Mn2 O11 91.55(11) . .
N2 Mn2 O11 90.17(12) . .
O10 Mn2 O13 82.77(11) . 3_666
O6 Mn2 O13 86.77(11) . 3_666
O13 Mn2 O13 78.74(11) . 3_666
N2 Mn2 O13 99.66(11) . 3_666
O11 Mn2 O13 169.55(11) . 3_666
O10 Mn2 La1 39.36(8) . 3_666
O6 Mn2 La1 129.14(9) . 3_666
O13 Mn2 La1 91.43(8) . 3_666
N2 Mn2 La1 88.73(9) . 3_666
O11 Mn2 La1 134.12(8) . 3_666
O13 Mn2 La1 43.53(6) 3_666 3_666
O24 Cl1 O22 117.5(5) . .
O24 Cl1 O23 113.1(4) . .
O22 Cl1 O23 110.1(4) . .
O24 Cl1 O21 108.2(5) . .
O22 Cl1 O21 101.9(5) . .
O23 Cl1 O21 104.7(3) . .
C7 N1 C9 121.4(3) . .
C7 N1 Mn1 125.8(3) . .
C9 N1 Mn1 112.7(2) . .
C20 N2 C21 120.2(3) . .
C20 N2 Mn2 126.9(3) . .
C21 N2 Mn2 113.0(2) . .
C1 O1 Mn1 128.1(3) . .
C8' O2 C8 66.2(13) . .
C8' O2 C2 132.3(14) . .
C8 O2 C2 121.2(7) . .
C12 O5 Mn1 114.9(2) . .
C12 O5 La1 136.8(2) . .
Mn1 O5 La1 108.29(12) . .
C18 O6 Mn2 128.3(2) . .
C18 O6 La1 126.8(2) . .
Mn2 O6 La1 104.78(11) . .
C13 O7 C19 116.4(3) . .
C13 O7 La1 117.7(2) . .
C19 O7 La1 125.9(3) . .
C22 O8 Mn1 114.9(2) . 3_666
C22 O8 La1 134.1(2) . 3_666
Mn1 O8 La1 99.83(11) 3_666 3_666
C24 O10 Mn2 108.9(2) . .
C24 O10 La1 117.5(2) . 3_666
Mn2 O10 La1 112.55(12) . 3_666
C25 O11 Mn2 123.4(3) . .
C25 O12 La1 143.9(3) . .
C27 O13 Mn2 119.1(2) . .
C27 O13 Mn2 118.8(2) . 3_666
Mn2 O13 Mn2 101.26(11) . 3_666
C27 O13 La1 113.6(2) . .
Mn2 O13 La1 102.07(10) . .
Mn2 O13 La1 98.79(9) 3_666 .
C28 O14 La1 132.4(3) . .
C29 O15 La1 139.5(3) . .
C29 O16 Mn1 125.5(3) . .
C31 O17 Mn1 123.9(3) . .
O1 C1 C6 124.2(4) . .
O1 C1 C2 117.7(4) . .
C6 C1 C2 118.1(4) . .
O2 C2 C3 124.0(5) . .
O2 C2 C1 115.8(4) . .
C3 C2 C1 120.2(5) . .
C4 C3 C2 121.7(5) . .
C3 C4 C5 119.1(4) . .
C4 C5 C6 120.8(5) . .
C1 C6 C5 119.8(4) . .
C1 C6 C7 123.2(4) . .
C5 C6 C7 116.8(4) . .
N1 C7 C6 124.6(4) . .
N1 C9 C11 109.9(3) . .
N1 C9 C12 103.9(3) . .
C11 C9 C12 109.2(3) . .
N1 C9 C10 111.3(3) . .
C11 C9 C10 111.9(3) . .
C12 C9 C10 110.3(3) . .
O3 C10 C9 110.2(3) . .
O4 C11 C9 108.6(3) . .
O5 C12 C9 108.6(3) . .
O7 C13 C14 124.7(4) . .
O7 C13 C18 114.6(3) . .
C14 C13 C18 120.7(4) . .
C15 C14 C13 120.1(4) . .
C16 C15 C14 120.6(4) . .
C15 C16 C17 120.6(4) . .
C16 C17 C18 119.3(4) . .
C16 C17 C20 118.3(4) . .
C18 C17 C20 122.2(4) . .
O6 C18 C13 118.1(3) . .
O6 C18 C17 123.2(3) . .
C13 C18 C17 118.7(4) . .
N2 C20 C17 125.6(4) . .
N2 C21 C24 105.4(3) . .
N2 C21 C22 109.1(3) . .
C24 C21 C22 112.1(3) . .
N2 C21 C23 111.9(3) . .
C24 C21 C23 110.2(3) . .
C22 C21 C23 108.2(3) . .
O8 C22 C21 113.3(3) . .
O9 C23 C21 114.2(3) . .
O10 C24 C21 110.9(3) . .
O12 C25 O11 124.4(4) . .
O12 C25 C26 117.2(4) . .
O11 C25 C26 118.3(4) . .
O16 C29 O15 124.6(4) . .
O16 C29 C30 119.1(4) . .
O15 C29 C30 116.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O5 2.420(3) .
La1 O15 2.445(3) .
La1 O12 2.479(3) .
La1 O6 2.537(3) .
La1 O10 2.549(3) 3_666
La1 O14 2.577(3) .
La1 O13 2.587(3) .
La1 O8 2.603(3) 3_666
La1 O7 2.781(3) .
La1 Mn1 3.4902(6) .
La1 Mn2 3.7123(6) 3_666
Mn1 O5 1.867(3) .
Mn1 O1 1.876(3) .
Mn1 O8 1.922(3) 3_666
Mn1 N1 1.993(3) .
Mn1 O16 2.264(3) .
Mn1 O17 2.311(3) .
Mn2 O10 1.893(3) .
Mn2 O6 1.916(3) .
Mn2 O13 1.946(3) .
Mn2 N2 1.990(3) .
Mn2 O11 2.131(3) .
Mn2 O13 2.296(3) 3_666
Mn2 La1 3.7123(6) 3_666
Cl1 O24 1.308(6) .
Cl1 O22 1.342(6) .
Cl1 O23 1.414(4) .
Cl1 O21 1.454(6) .
N1 C7 1.289(5) .
N1 C9 1.493(5) .
N2 C20 1.276(5) .
N2 C21 1.502(5) .
O1 C1 1.319(5) .
O2 C8' 1.20(2) .
O2 C8 1.342(11) .
O2 C2 1.371(6) .
O3 C10 1.414(5) .
O4 C11 1.417(5) .
O5 C12 1.419(5) .
O6 C18 1.333(4) .
O7 C13 1.377(5) .
O7 C19 1.432(5) .
O8 C22 1.406(5) .
O8 Mn1 1.922(3) 3_666
O8 La1 2.603(3) 3_666
O9 C23 1.400(5) .
O10 C24 1.426(5) .
O10 La1 2.549(3) 3_666
O11 C25 1.264(5) .
O12 C25 1.251(5) .
O13 C27 1.441(5) .
O13 Mn2 2.296(3) 3_666
O14 C28 1.425(5) .
O15 C29 1.262(5) .
O16 C29 1.255(5) .
O17 C31 1.404(6) .
O18 C32 1.450(10) .
O19 C33 1.406(6) .
O20 C34 1.325(9) .
C1 C6 1.404(6) .
C1 C2 1.414(7) .
C2 C3 1.385(7) .
C3 C4 1.377(8) .
C4 C5 1.378(7) .
C5 C6 1.415(6) .
C6 C7 1.441(6) .
C9 C11 1.525(6) .
C9 C12 1.531(6) .
C9 C10 1.542(6) .
C13 C14 1.387(6) .
C13 C18 1.400(6) .
C14 C15 1.377(6) .
C15 C16 1.368(7) .
C16 C17 1.406(6) .
C17 C18 1.408(5) .
C17 C20 1.451(6) .
C21 C24 1.529(6) .
C21 C22 1.530(6) .
C21 C23 1.539(6) .
C25 C26 1.500(6) .
C29 C30 1.501(6) .
