#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:12:04 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179884 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/80/7018057.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_7018057
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 Mn4 N4 Nd2 O48'
_chemical_formula_weight         2336.79
_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                 106.7650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2735(9)
_cell_length_b                   21.8604(16)
_cell_length_c                   16.3481(11)
_cell_measurement_temperature    176(2)
_cell_volume                     4542.0(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      176(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24668
_diffrn_reflns_theta_full        25.95
_diffrn_reflns_theta_max         25.95
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    1.820
_exptl_absorpt_correction_T_max  0.7719
_exptl_absorpt_correction_T_min  0.7237
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2380
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.890
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     619
_refine_ls_number_reflns         8798
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0548P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                6810
_reflns_number_total             8798
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11922f.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7018057
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
Nd1 Nd 0.211912(17) 0.564102(11) 0.607594(14) 0.01605(8) Uani 1 1 d . . .
Mn1 Mn 0.25981(5) 0.71522(3) 0.57355(4) 0.01893(16) Uani 1 1 d . . .
Mn2 Mn 0.07413(5) 0.45059(3) 0.47116(4) 0.01559(15) Uani 1 1 d . . .
Cl1 Cl 0.69187(10) 0.84547(7) 0.45040(8) 0.0379(3) Uani 1 1 d . . .
N1 N 0.4029(3) 0.74375(17) 0.5759(2) 0.0183(8) Uani 1 1 d . B .
N2 N 0.0851(3) 0.36041(17) 0.4735(2) 0.0183(8) Uani 1 1 d . . .
O1 O 0.2093(2) 0.79522(15) 0.5735(2) 0.0284(8) Uani 1 1 d . B .
O2 O 0.0894(3) 0.8934(2) 0.5350(3) 0.0636(13) Uani 1 1 d U . .
O3 O 0.6158(2) 0.65459(16) 0.5261(2) 0.0281(8) Uani 1 1 d . . .
H3A H 0.6748 0.6564 0.5600 0.042 Uiso 1 1 calc R . .
O4 O 0.5802(3) 0.73001(17) 0.7166(2) 0.0385(9) Uani 1 1 d . . .
H4 H 0.6120 0.7218 0.7663 0.058 Uiso 1 1 calc R . .
O5 O 0.3176(2) 0.63855(14) 0.56720(19) 0.0219(7) Uani 1 1 d . . .
O6 O 0.1623(2) 0.45534(13) 0.58602(18) 0.0177(6) Uani 1 1 d . . .
O7 O 0.2137(2) 0.48987(15) 0.74392(18) 0.0238(7) Uani 1 1 d U . .
O8 O -0.1352(2) 0.32851(13) 0.42597(18) 0.0188(7) Uani 1 1 d . . .
O9 O 0.1998(2) 0.31566(16) 0.3593(2) 0.0261(7) Uani 1 1 d . . .
H9 H 0.1911 0.3366 0.3162 0.039 Uiso 1 1 calc R . .
O10 O -0.0350(2) 0.43585(13) 0.36936(17) 0.0175(6) Uani 1 1 d . . .
O11 O 0.1956(2) 0.45555(15) 0.41099(19) 0.0229(7) Uani 1 1 d . . .
O12 O 0.2915(2) 0.52169(14) 0.50402(19) 0.0235(7) Uani 1 1 d . . .
O13 O 0.0656(2) 0.53900(13) 0.47485(17) 0.0151(6) Uani 1 1 d . . .
O14 O 0.3891(2) 0.51759(16) 0.67500(18) 0.0270(8) Uani 1 1 d . . .
H14A H 0.4153 0.4957 0.6368 0.032 Uiso 1 1 calc R . .
O15 O 0.2745(2) 0.61958(15) 0.73743(18) 0.0260(7) Uani 1 1 d . . .
O16 O 0.3038(2) 0.71751(15) 0.71742(19) 0.0258(7) Uani 1 1 d . . .
O17 O 0.2000(3) 0.72400(17) 0.4270(2) 0.0356(9) Uani 1 1 d . . .
H17H H 0.2395 0.7063 0.3947 0.043 Uiso 1 1 calc R . .
O18 O 0.2702(5) 0.6809(2) 0.3037(3) 0.0790(16) Uani 1 1 d U . .
H18 H 0.2730 0.7064 0.2676 0.119 Uiso 1 1 calc R . .
O19 O 0.4462(3) 0.40921(17) 0.6242(2) 0.0354(8) Uani 1 1 d U . .
H19 H 0.4233 0.3949 0.5760 0.053 Uiso 1 1 calc R . .
O20 O 0.8155(5) 0.8784(3) 0.2855(3) 0.096(2) Uani 1 1 d U . .
H20A H 0.8475 0.8524 0.3193 0.143 Uiso 1 1 calc R . .
O21 O 0.6200(4) 0.8602(2) 0.4960(3) 0.0614(13) Uani 1 1 d U A .
O22 O 0.7951(8) 0.8366(7) 0.4852(9) 0.099(4) Uani 0.50 1 d P A 1
O23 O 0.6521(8) 0.7855(4) 0.4047(5) 0.058(2) Uani 0.50 1 d P A 1
O22' O 0.7754(8) 0.8935(5) 0.4835(6) 0.073(3) Uani 0.50 1 d P A 2
O23' O 0.7394(10) 0.7938(5) 0.4881(9) 0.096(4) Uani 0.50 1 d P A 2
O24 O 0.6632(5) 0.8691(4) 0.3723(3) 0.141(3) Uani 1 1 d . A .
C1 C 0.2563(4) 0.8461(2) 0.5641(3) 0.0252(10) Uani 1 1 d . . .
C2 C 0.1948(4) 0.8998(2) 0.5467(3) 0.0338(12) Uani 1 1 d . B .
C3 C 0.2401(4) 0.9565(3) 0.5414(3) 0.0372(13) Uani 1 1 d . . .
H3 H 0.1984 0.9915 0.5314 0.045 Uiso 1 1 calc R B .
C4 C 0.3470(4) 0.9610(2) 0.5509(3) 0.0334(12) Uani 1 1 d . B .
H4A H 0.3774 0.9990 0.5486 0.040 Uiso 1 1 calc R . .
C5 C 0.4073(4) 0.9095(2) 0.5637(3) 0.0281(11) Uani 1 1 d . . .
H5 H 0.4785 0.9127 0.5679 0.034 Uiso 1 1 calc R B .
C6 C 0.3642(3) 0.8514(2) 0.5706(3) 0.0221(10) Uani 1 1 d . B .
C7 C 0.4317(3) 0.7997(2) 0.5783(3) 0.0213(10) Uani 1 1 d . . .
H7 H 0.5027 0.8073 0.5856 0.026 Uiso 1 1 calc R B .
C8 C 0.0243(11) 0.9413(7) 0.5352(14) 0.111(8) Uani 0.576(18) 1 d P B 1
C8' C 0.0442(13) 0.8872(7) 0.5950(11) 0.059(6) Uani 0.424(18) 1 d P B 2
C9 C 0.4783(3) 0.6924(2) 0.5814(3) 0.0185(9) Uani 1 1 d . . .
C10 C 0.5587(3) 0.7072(2) 0.5342(3) 0.0231(10) Uani 1 1 d . B .
H10A H 0.5230 0.7232 0.4779 0.028 Uiso 1 1 calc R . .
H10B H 0.6067 0.7384 0.5652 0.028 Uiso 1 1 calc R . .
C11 C 0.5311(4) 0.6771(2) 0.6751(3) 0.0234(10) Uani 1 1 d . B .
H11A H 0.4791 0.6628 0.7018 0.028 Uiso 1 1 calc R . .
H11B H 0.5829 0.6450 0.6794 0.028 Uiso 1 1 calc R . .
C12 C 0.4095(3) 0.6383(2) 0.5398(3) 0.0217(10) Uani 1 1 d . B .
H12A H 0.3907 0.6419 0.4781 0.026 Uiso 1 1 calc R . .
H12B H 0.4475 0.6003 0.5563 0.026 Uiso 1 1 calc R . .
C13 C 0.2129(3) 0.4282(2) 0.7307(3) 0.0217(10) Uani 1 1 d . . .
C14 C 0.2384(4) 0.3844(2) 0.7940(3) 0.0281(11) Uani 1 1 d . . .
H14 H 0.2596 0.3964 0.8510 0.034 Uiso 1 1 calc R . .
C15 C 0.2327(4) 0.3229(2) 0.7735(3) 0.0304(12) Uani 1 1 d . . .
H15 H 0.2505 0.2938 0.8167 0.037 Uiso 1 1 calc R . .
C16 C 0.2012(4) 0.3050(2) 0.6904(3) 0.0270(11) Uani 1 1 d . . .
H16 H 0.1972 0.2635 0.6772 0.032 Uiso 1 1 calc R . .
C17 C 0.1744(3) 0.3487(2) 0.6239(3) 0.0202(10) Uani 1 1 d . . .
C18 C 0.1830(3) 0.4108(2) 0.6448(3) 0.0186(9) Uani 1 1 d . . .
C19 C 0.2131(5) 0.5095(3) 0.8275(3) 0.0431(15) Uani 1 1 d . . .
H19A H 0.1552 0.4907 0.8421 0.065 Uiso 1 1 calc R . .
H19B H 0.2059 0.5532 0.8280 0.065 Uiso 1 1 calc R . .
H19C H 0.2780 0.4977 0.8684 0.065 Uiso 1 1 calc R . .
C20 C 0.1308(3) 0.3266(2) 0.5382(3) 0.0215(10) Uani 1 1 d . . .
H20 H 0.1359 0.2850 0.5287 0.026 Uiso 1 1 calc R . .
C21 C 0.0305(3) 0.3317(2) 0.3889(3) 0.0208(10) Uani 1 1 d . . .
C22 C -0.0622(3) 0.2940(2) 0.3981(3) 0.0223(10) Uani 1 1 d . . .
H22A H -0.0977 0.2756 0.3434 0.027 Uiso 1 1 calc R . .
H22B H -0.0358 0.2612 0.4385 0.027 Uiso 1 1 calc R . .
C23 C 0.1040(3) 0.2887(2) 0.3594(3) 0.0256(11) Uani 1 1 d . . .
H23A H 0.1184 0.2532 0.3965 0.031 Uiso 1 1 calc R . .
H23B H 0.0683 0.2745 0.3021 0.031 Uiso 1 1 calc R . .
C24 C -0.0053(3) 0.3846(2) 0.3278(3) 0.0207(10) Uani 1 1 d . . .
H24A H 0.0512 0.3964 0.3044 0.025 Uiso 1 1 calc R . .
H24B H -0.0648 0.3718 0.2808 0.025 Uiso 1 1 calc R . .
C25 C 0.2770(3) 0.4876(2) 0.4404(3) 0.0215(10) Uani 1 1 d . . .
C26 C 0.3605(4) 0.4860(3) 0.3955(3) 0.0400(14) Uani 1 1 d . . .
H26A H 0.3875 0.5265 0.3933 0.060 Uiso 1 1 calc R . .
H26B H 0.3310 0.4708 0.3384 0.060 Uiso 1 1 calc R . .
H26C H 0.4165 0.4595 0.4259 0.060 Uiso 1 1 calc R . .
C27 C 0.0670(4) 0.5738(2) 0.4009(3) 0.0258(11) Uani 1 1 d . . .
H27A H 0.1379 0.5767 0.3976 0.039 Uiso 1 1 calc R . .
H27B H 0.0402 0.6141 0.4050 0.039 Uiso 1 1 calc R . .
H27C H 0.0239 0.5539 0.3506 0.039 Uiso 1 1 calc R . .
C28 C 0.4577(4) 0.5180(3) 0.7600(3) 0.0362(13) Uani 1 1 d . . .
H28A H 0.4528 0.5567 0.7861 0.054 Uiso 1 1 calc R . .
H28B H 0.5287 0.5114 0.7587 0.054 Uiso 1 1 calc R . .
H28C H 0.4377 0.4859 0.7924 0.054 Uiso 1 1 calc R . .
C29 C 0.3106(3) 0.6711(2) 0.7637(3) 0.0230(10) Uani 1 1 d . . .
C30 C 0.3662(4) 0.6773(3) 0.8568(3) 0.0384(13) Uani 1 1 d . . .
H30A H 0.3249 0.6583 0.8893 0.058 Uiso 1 1 calc R . .
H30B H 0.3756 0.7198 0.8715 0.058 Uiso 1 1 calc R . .
H30C H 0.4336 0.6576 0.8694 0.058 Uiso 1 1 calc R . .
C31 C 0.1066(5) 0.7548(3) 0.3839(4) 0.0538(17) Uani 1 1 d . . .
H31A H 0.0818 0.7777 0.4243 0.081 Uiso 1 1 calc R . .
H31B H 0.0542 0.7255 0.3557 0.081 Uiso 1 1 calc R . .
H31C H 0.1203 0.7821 0.3424 0.081 Uiso 1 1 calc R . .
C32 C 0.2464(10) 0.6284(5) 0.2677(6) 0.151(6) Uani 1 1 d . . .
H32A H 0.2907 0.6203 0.2317 0.226 Uiso 1 1 calc R . .
H32B H 0.1741 0.6285 0.2338 0.226 Uiso 1 1 calc R . .
H32C H 0.2568 0.5973 0.3107 0.226 Uiso 1 1 calc R . .
C33 C 0.4614(5) 0.3616(3) 0.6850(4) 0.0493(16) Uani 1 1 d . . .
H33A H 0.5184 0.3360 0.6807 0.074 Uiso 1 1 calc R . .
H33B H 0.3983 0.3377 0.6743 0.074 Uiso 1 1 calc R . .
H33C H 0.4778 0.3788 0.7414 0.074 Uiso 1 1 calc R . .
C34 C 0.8547(12) 0.9355(8) 0.3133(9) 0.238(11) Uani 1 1 d . . .
H34A H 0.9215 0.9313 0.3558 0.357 Uiso 1 1 calc . . .
H34B H 0.8065 0.9564 0.3376 0.357 Uiso 1 1 calc . . .
H34C H 0.8634 0.9587 0.2659 0.357 Uiso 1 1 calc . . .
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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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 Nd1 O15 79.37(10) . .
O5 Nd1 O12 69.81(10) . .
O15 Nd1 O12 135.13(10) . .
O5 Nd1 O6 141.23(10) . .
O15 Nd1 O6 129.05(10) . .
O12 Nd1 O6 71.54(10) . .
O5 Nd1 O10 134.87(10) . 3_566
O15 Nd1 O10 88.07(10) . 3_566
O12 Nd1 O10 136.72(9) . 3_566
O6 Nd1 O10 78.29(9) . 3_566
O5 Nd1 O14 81.09(11) . .
O15 Nd1 O14 76.86(10) . .
O12 Nd1 O14 67.00(10) . .
O6 Nd1 O14 81.35(10) . .
O10 Nd1 O14 137.88(10) 3_566 .
O5 Nd1 O13 106.34(9) . .
O15 Nd1 O13 149.78(10) . .
O12 Nd1 O13 72.42(9) . .
O6 Nd1 O13 63.84(9) . .
O10 Nd1 O13 66.63(9) 3_566 .
O14 Nd1 O13 133.03(10) . .
O5 Nd1 O8 62.56(10) . 3_566
O15 Nd1 O8 74.80(10) . 3_566
O12 Nd1 O8 115.37(10) . 3_566
O6 Nd1 O8 141.46(9) . 3_566
O10 Nd1 O8 72.33(9) 3_566 3_566
O14 Nd1 O8 137.09(10) . 3_566
O13 Nd1 O8 81.65(9) . 3_566
O5 Nd1 O7 139.94(10) . .
O15 Nd1 O7 70.03(10) . .
O12 Nd1 O7 115.90(10) . .
O6 Nd1 O7 59.11(9) . .
O10 Nd1 O7 70.41(9) 3_566 .
O14 Nd1 O7 67.48(10) . .
O13 Nd1 O7 113.17(9) . .
O8 Nd1 O7 128.72(9) 3_566 .
O5 Nd1 Mn2 127.01(7) . 3_566
O15 Nd1 Mn2 114.79(8) . 3_566
O12 Nd1 Mn2 109.77(7) . 3_566
O6 Nd1 Mn2 69.97(7) . 3_566
O10 Nd1 Mn2 28.56(6) 3_566 3_566
O14 Nd1 Mn2 150.09(8) . 3_566
O13 Nd1 Mn2 38.12(6) . 3_566
O8 Nd1 Mn2 72.29(6) 3_566 3_566
O7 Nd1 Mn2 89.92(7) . 3_566
O5 Mn1 O1 174.58(14) . .
O5 Mn1 O8 85.44(13) . 3_566
O1 Mn1 O8 99.03(13) . 3_566
O5 Mn1 N1 82.93(14) . .
O1 Mn1 N1 92.68(15) . .
O8 Mn1 N1 168.21(14) 3_566 .
O5 Mn1 O16 95.24(13) . .
O1 Mn1 O16 87.99(14) . .
O8 Mn1 O16 88.34(12) 3_566 .
N1 Mn1 O16 90.79(13) . .
O5 Mn1 O17 92.36(13) . .
O1 Mn1 O17 84.59(14) . .
O8 Mn1 O17 90.38(13) 3_566 .
N1 Mn1 O17 92.02(13) . .
O16 Mn1 O17 172.18(13) . .
O10 Mn2 O6 166.33(13) . .
O10 Mn2 O13 99.24(12) . .
O6 Mn2 O13 86.55(12) . .
O10 Mn2 N2 83.16(13) . .
O6 Mn2 N2 90.81(13) . .
O13 Mn2 N2 177.22(13) . .
O10 Mn2 O11 95.31(12) . .
O6 Mn2 O11 96.95(12) . .
O13 Mn2 O11 91.28(12) . .
N2 Mn2 O11 89.90(13) . .
O10 Mn2 O13 81.70(11) . 3_566
O6 Mn2 O13 87.16(11) . 3_566
O13 Mn2 O13 80.07(12) . 3_566
N2 Mn2 O13 98.95(12) . 3_566
O11 Mn2 O13 170.21(12) . 3_566
O10 Mn2 Nd1 38.85(9) . 3_566
O6 Mn2 Nd1 129.19(9) . 3_566
O13 Mn2 Nd1 91.99(8) . 3_566
N2 Mn2 Nd1 89.01(10) . 3_566
O11 Mn2 Nd1 133.86(8) . 3_566
O13 Mn2 Nd1 42.93(7) 3_566 3_566
O24 Cl1 O22 116.1(7) . .
O24 Cl1 O23' 136.9(7) . .
O22 Cl1 O23' 53.1(7) . .
O24 Cl1 O21 111.7(3) . .
O22 Cl1 O21 125.1(7) . .
O23' Cl1 O21 104.3(5) . .
O24 Cl1 O22' 92.9(6) . .
O22 Cl1 O22' 52.5(7) . .
O23' Cl1 O22' 102.7(8) . .
O21 Cl1 O22' 101.0(5) . .
O24 Cl1 O23 84.3(5) . .
O22 Cl1 O23 104.6(7) . .
O23' Cl1 O23 63.6(7) . .
O21 Cl1 O23 105.4(4) . .
O22' Cl1 O23 152.6(6) . .
C7 N1 C9 121.9(4) . .
C7 N1 Mn1 125.2(3) . .
C9 N1 Mn1 112.7(3) . .
C20 N2 C21 120.3(4) . .
C20 N2 Mn2 127.0(3) . .
C21 N2 Mn2 112.7(3) . .
C1 O1 Mn1 127.8(3) . .
C8' O2 C8 69.2(11) . .
C8' O2 C2 125.7(9) . .
C8 O2 C2 123.1(8) . .
C12 O5 Mn1 115.3(3) . .
C12 O5 Nd1 136.2(3) . .
Mn1 O5 Nd1 108.53(13) . .
C18 O6 Mn2 127.4(3) . .
C18 O6 Nd1 127.4(3) . .
Mn2 O6 Nd1 104.84(12) . .
C13 O7 C19 116.4(4) . .
C13 O7 Nd1 117.1(2) . .
C19 O7 Nd1 126.5(3) . .
C22 O8 Mn1 114.3(3) . 3_566
C22 O8 Nd1 134.0(3) . 3_566
Mn1 O8 Nd1 99.71(11) 3_566 3_566
C24 O10 Mn2 107.9(2) . .
C24 O10 Nd1 118.5(2) . 3_566
Mn2 O10 Nd1 112.59(12) . 3_566
C25 O11 Mn2 122.3(3) . .
C25 O12 Nd1 144.8(3) . .
C27 O13 Mn2 119.2(3) . .
C27 O13 Mn2 118.9(3) . 3_566
Mn2 O13 Mn2 99.93(12) . 3_566
C27 O13 Nd1 114.6(2) . .
Mn2 O13 Nd1 101.93(11) . .
Mn2 O13 Nd1 98.95(10) 3_566 .
C28 O14 Nd1 132.9(3) . .
C29 O15 Nd1 140.0(3) . .
C29 O16 Mn1 124.3(3) . .
C31 O17 Mn1 123.4(3) . .
O1 C1 C6 124.8(4) . .
O1 C1 C2 117.6(4) . .
C6 C1 C2 117.6(5) . .
O2 C2 C3 121.9(5) . .
O2 C2 C1 116.9(5) . .
C3 C2 C1 121.2(5) . .
C4 C3 C2 120.2(5) . .
C5 C4 C3 119.7(5) . .
C4 C5 C6 121.5(5) . .
C1 C6 C5 119.6(4) . .
C1 C6 C7 122.7(4) . .
C5 C6 C7 117.5(4) . .
N1 C7 C6 125.5(4) . .
N1 C9 C10 111.4(4) . .
N1 C9 C11 109.3(3) . .
C10 C9 C11 111.7(4) . .
N1 C9 C12 104.5(3) . .
C10 C9 C12 110.9(4) . .
C11 C9 C12 108.7(4) . .
O3 C10 C9 110.4(4) . .
O4 C11 C9 108.7(4) . .
O5 C12 C9 108.5(3) . .
O7 C13 C14 125.3(4) . .
O7 C13 C18 114.5(4) . .
C14 C13 C18 120.2(4) . .
C13 C14 C15 120.5(4) . .
C16 C15 C14 120.2(4) . .
C15 C16 C17 120.6(5) . .
C18 C17 C16 119.0(4) . .
C18 C17 C20 123.1(4) . .
C16 C17 C20 117.7(4) . .
O6 C18 C13 117.6(4) . .
O6 C18 C17 123.1(4) . .
C13 C18 C17 119.3(4) . .
N2 C20 C17 124.8(4) . .
N2 C21 C24 105.4(4) . .
N2 C21 C22 108.9(3) . .
C24 C21 C22 111.7(4) . .
N2 C21 C23 111.4(3) . .
C24 C21 C23 111.7(4) . .
C22 C21 C23 107.8(4) . .
O8 C22 C21 113.2(4) . .
O9 C23 C21 113.7(4) . .
O10 C24 C21 111.4(3) . .
O12 C25 O11 124.0(4) . .
O12 C25 C26 117.8(4) . .
O11 C25 C26 118.3(4) . .
O15 C29 O16 124.7(4) . .
O15 C29 C30 117.3(4) . .
O16 C29 C30 118.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O5 2.363(3) .
Nd1 O15 2.377(3) .
Nd1 O12 2.424(3) .
Nd1 O6 2.465(3) .
Nd1 O10 2.483(3) 3_566
Nd1 O14 2.506(3) .
Nd1 O13 2.520(3) .
Nd1 O8 2.555(3) 3_566
Nd1 O7 2.751(3) .
Nd1 Mn2 3.6546(7) 3_566
Mn1 O5 1.858(3) .
Mn1 O1 1.873(3) .
Mn1 O8 1.913(3) 3_566
Mn1 N1 1.988(4) .
Mn1 O16 2.255(3) .
Mn1 O17 2.304(3) .
Mn2 O10 1.892(3) .
Mn2 O6 1.908(3) .
Mn2 O13 1.938(3) .
Mn2 N2 1.976(4) .
Mn2 O11 2.120(3) .
Mn2 O13 2.284(3) 3_566
Mn2 Nd1 3.6546(7) 3_566
Cl1 O24 1.327(5) .
Cl1 O22 1.338(10) .
Cl1 O23' 1.353(10) .
Cl1 O21 1.407(4) .
Cl1 O22' 1.509(9) .
Cl1 O23 1.525(8) .
N1 C7 1.279(6) .
N1 C9 1.491(5) .
N2 C20 1.288(6) .
N2 C21 1.502(5) .
O1 C1 1.306(6) .
O2 C8' 1.296(16) .
O2 C8 1.359(13) .
O2 C2 1.364(6) .
O3 C10 1.405(5) .
O4 C11 1.402(5) .
O5 C12 1.415(5) .
O6 C18 1.340(5) .
O7 C13 1.366(5) .
O7 C19 1.434(5) .
O8 C22 1.403(5) .
O8 Mn1 1.913(3) 3_566
O8 Nd1 2.555(3) 3_566
O9 C23 1.403(5) .
O10 C24 1.424(5) .
O10 Nd1 2.483(3) 3_566
O11 C25 1.261(5) .
O12 C25 1.248(5) .
O13 C27 1.433(5) .
O13 Mn2 2.284(3) 3_566
O14 C28 1.424(5) .
O15 C29 1.250(6) .
O16 C29 1.253(6) .
O17 C31 1.407(6) .
O18 C32 1.287(9) .
O19 C33 1.413(6) .
O20 C34 1.379(13) .
C1 C6 1.410(6) .
C1 C2 1.412(7) .
C2 C3 1.390(7) .
C3 C4 1.386(7) .
C4 C5 1.362(7) .
C5 C6 1.411(7) .
C6 C7 1.425(6) .
C9 C10 1.522(6) .
C9 C11 1.526(6) .
C9 C12 1.528(6) .
C13 C14 1.378(6) .
C13 C18 1.397(6) .
C14 C15 1.382(7) .
C15 C16 1.359(7) .
C16 C17 1.414(6) .
C17 C18 1.397(6) .
C17 C20 1.436(6) .
C21 C24 1.513(6) .
C21 C22 1.524(6) .
C21 C23 1.530(6) .
C25 C26 1.496(6) .
C29 C30 1.494(6) .
