#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/08/7020872.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_7020872
loop_
_publ_author_name
'Liu, Jinying'
'Ma, Chengbing'
'Chen, Hui'
'Hu, Mingqiang'
'Wen, Huimin'
'Cui, Honghua'
'Song, Xiaowei'
'Chen, Changneng'
_publ_section_title
;
 Syntheses, structures and magnetic properties of a family of
 heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2423
_journal_page_last               2430
_journal_paper_doi               10.1039/c2dt32269b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C62 H118 Mn4 N2 Nd2 O28'
_chemical_formula_sum            'C62 H118 Mn4 N2 Nd2 O28'
_chemical_formula_weight         1847.82
_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

The four tert-butyl groups were each disordered into two positions
with occupancies of 66/34,60/40,60/40,60/40, respectively,
and the temperature factors of all atoms were restrained by using
the command DELU/SIMU/ISOR. The subsequent refinement gave good ellipsoid plot.

The bond lengths and bond angles of those four tert-butyl groups
were restrained by using DFIX.

All the hydrogens were added geometrically. The singly-deprotonated
triethanolamine ligands (H2tea C) were confirmed by the charge
consideration and bond-valence-sum (BVS) calculations, but no
difference fourier peak was found to be suitable for the definition
of the proton of H2tea- anions, and these four hydrogens were
calculated in the reported formula.
;
_cell_angle_alpha                93.20
_cell_angle_beta                 109.563(3)
_cell_angle_gamma                108.359(2)
_cell_formula_units_Z            1
_cell_length_a                   11.8240(9)
_cell_length_b                   12.1223(7)
_cell_length_c                   16.2567(11)
_cell_measurement_reflns_used    2786
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4934
_cell_measurement_theta_min      3.1149
_cell_volume                     2049.7(2)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14955
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.913
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Corp., 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.550
_refine_diff_density_min         -1.485
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         6925
_refine_ls_number_restraints     479
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0361
_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)+(0.0700P)²+0.0880P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                6439
_reflns_number_total             6925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32269b.txt
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7020872
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
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.3300(3) 0.6797(3) 0.1516(2) 0.0407(8) Uani 1 1 d . . .
Nd1 Nd 0.244908(17) 0.839028(13) 0.212234(10) 0.02449(9) Uani 1 1 d . . .
Mn1 Mn 0.45350(5) 0.87758(4) 0.43287(3) 0.02194(13) Uani 1 1 d . . .
Mn2 Mn 0.60109(6) 0.86764(4) 0.62756(3) 0.02958(15) Uani 1 1 d . . .
C1 C 0.4239(4) 1.0521(3) 0.1824(3) 0.0416(10) Uani 1 1 d . A .
C2 C 0.4914(4) 1.1603(3) 0.1519(2) 0.0664(13) Uani 1 1 d DU . .
C3 C 0.4961(13) 1.1372(10) 0.0599(4) 0.091(3) Uani 0.431(9) 1 d PDU A 1
H3A H 0.5304 1.0757 0.0571 0.136 Uiso 0.431(9) 1 calc PR A 1
H3B H 0.5499 1.2081 0.0491 0.136 Uiso 0.431(9) 1 calc PR A 1
H3C H 0.4110 1.1133 0.0157 0.136 Uiso 0.431(9) 1 calc PR A 1
C4 C 0.4170(11) 1.2432(9) 0.1520(9) 0.085(3) Uani 0.431(9) 1 d PDU A 1
H4A H 0.4406 1.2812 0.2118 0.127 Uiso 0.431(9) 1 calc PR A 1
H4B H 0.3265 1.1985 0.1275 0.127 Uiso 0.431(9) 1 calc PR A 1
H4C H 0.4372 1.3020 0.1168 0.127 Uiso 0.431(9) 1 calc PR A 1
C5 C 0.6281(6) 1.2171(10) 0.2209(6) 0.093(4) Uani 0.431(9) 1 d PDU A 1
H5A H 0.6753 1.1659 0.2198 0.139 Uiso 0.431(9) 1 calc PR A 1
H5B H 0.6249 1.2294 0.2788 0.139 Uiso 0.431(9) 1 calc PR A 1
H5C H 0.6697 1.2916 0.2073 0.139 Uiso 0.431(9) 1 calc PR A 1
C3' C 0.4206(9) 1.1461(8) 0.0518(3) 0.079(3) Uani 0.569(9) 1 d PDU A 2
H3'A H 0.4351 1.0850 0.0212 0.119 Uiso 0.569(9) 1 calc PR A 2
H3'B H 0.4520 1.2192 0.0327 0.119 Uiso 0.569(9) 1 calc PR A 2
H3'C H 0.3303 1.1251 0.0389 0.119 Uiso 0.569(9) 1 calc PR A 2
C4' C 0.4951(10) 1.2748(5) 0.1991(6) 0.087(3) Uani 0.569(9) 1 d PDU A 2
H4'A H 0.5767 1.3115 0.2470 0.131 Uiso 0.569(9) 1 calc PR A 2
H4'B H 0.4279 1.2574 0.2223 0.131 Uiso 0.569(9) 1 calc PR A 2
H4'C H 0.4831 1.3276 0.1578 0.131 Uiso 0.569(9) 1 calc PR A 2
C5' C 0.6285(6) 1.1643(9) 0.1705(7) 0.098(3) Uani 0.569(9) 1 d PDU A 2
H5'A H 0.6269 1.0863 0.1545 0.147 Uiso 0.569(9) 1 calc PR A 2
H5'B H 0.6792 1.1931 0.2325 0.147 Uiso 0.569(9) 1 calc PR A 2
H5'C H 0.6653 1.2160 0.1363 0.147 Uiso 0.569(9) 1 calc PR A 2
C6 C -0.0842(4) 0.6806(3) 0.1388(3) 0.0401(9) Uani 1 1 d . A .
C7 C -0.1918(3) 0.6355(3) 0.1731(3) 0.0665(13) Uani 1 1 d DU . .
C8 C -0.1497(14) 0.5546(14) 0.2363(11) 0.087(3) Uani 0.43(2) 1 d PDU B 1
H8A H -0.0605 0.5921 0.2728 0.131 Uiso 0.43(2) 1 calc PR B 1
H8B H -0.1628 0.4811 0.2024 0.131 Uiso 0.43(2) 1 calc PR B 1
H8C H -0.1996 0.5399 0.2732 0.131 Uiso 0.43(2) 1 calc PR B 1
C9 C -0.3293(7) 0.5702(13) 0.1074(9) 0.078(3) Uani 0.43(2) 1 d PDU B 1
H9A H -0.3583 0.6231 0.0712 0.117 Uiso 0.43(2) 1 calc PR B 1
H9B H -0.3844 0.5419 0.1395 0.117 Uiso 0.43(2) 1 calc PR B 1
H9C H -0.3314 0.5045 0.0703 0.117 Uiso 0.43(2) 1 calc PR B 1
C10 C -0.1858(16) 0.7467(10) 0.2264(11) 0.076(4) Uani 0.43(2) 1 d PDU B 1
H10A H -0.1774 0.8095 0.1929 0.114 Uiso 0.43(2) 1 calc PR B 1
H10B H -0.1132 0.7696 0.2814 0.114 Uiso 0.43(2) 1 calc PR B 1
H10C H -0.2631 0.7307 0.2384 0.114 Uiso 0.43(2) 1 calc PR B 1
C8' C -0.1887(13) 0.5172(8) 0.2000(10) 0.085(3) Uani 0.57(2) 1 d PDU B 2
H8'A H -0.2562 0.4844 0.2217 0.128 Uiso 0.57(2) 1 calc PR B 2
H8'B H -0.1073 0.5293 0.2458 0.128 Uiso 0.57(2) 1 calc PR B 2
H8'C H -0.2008 0.4637 0.1494 0.128 Uiso 0.57(2) 1 calc PR B 2
C9' C -0.3157(9) 0.6147(13) 0.0936(6) 0.087(3) Uani 0.57(2) 1 d PDU B 2
H9'A H -0.3125 0.6872 0.0718 0.130 Uiso 0.57(2) 1 calc PR B 2
H9'B H -0.3878 0.5878 0.1115 0.130 Uiso 0.57(2) 1 calc PR B 2
H9'C H -0.3244 0.5560 0.0474 0.130 Uiso 0.57(2) 1 calc PR B 2
C10' C -0.1846(12) 0.7191(11) 0.2503(6) 0.067(3) Uani 0.57(2) 1 d PDU B 2
H10D H -0.1760 0.7957 0.2347 0.101 Uiso 0.57(2) 1 calc PR B 2
H10E H -0.1118 0.7253 0.3020 0.101 Uiso 0.57(2) 1 calc PR B 2
H10F H -0.2616 0.6886 0.2625 0.101 Uiso 0.57(2) 1 calc PR B 2
C11 C 0.3790(4) 0.6404(3) 0.5094(2) 0.0323(8) Uani 1 1 d . C .
C12 C 0.2917(3) 0.5142(3) 0.5028(2) 0.0514(10) Uani 1 1 d DU . .
C13 C 0.3194(10) 0.4638(10) 0.5886(5) 0.082(3) Uani 0.562(11) 1 d PDU C 1
H13A H 0.3156 0.5147 0.6342 0.123 Uiso 0.562(11) 1 calc PR C 1
H13B H 0.4034 0.4588 0.6067 0.123 Uiso 0.562(11) 1 calc PR C 1
H13C H 0.2565 0.3865 0.5786 0.123 Uiso 0.562(11) 1 calc PR C 1
C14 C 0.1520(5) 0.5076(8) 0.4672(8) 0.079(3) Uani 0.562(11) 1 d PDU C 1
H14A H 0.1376 0.5531 0.5104 0.119 Uiso 0.562(11) 1 calc PR C 1
H14B H 0.0960 0.4268 0.4557 0.119 Uiso 0.562(11) 1 calc PR C 1
H14C H 0.1348 0.5389 0.4132 0.119 Uiso 0.562(11) 1 calc PR C 1
C15 C 0.3052(10) 0.4336(7) 0.4275(7) 0.061(2) Uani 0.562(11) 1 d PDU C 1
H15A H 0.2519 0.3528 0.4210 0.091 Uiso 0.562(11) 1 calc PR C 1
H15B H 0.3931 0.4392 0.4442 0.091 Uiso 0.562(11) 1 calc PR C 1
H15C H 0.2788 0.4604 0.3721 0.091 Uiso 0.562(11) 1 calc PR C 1
C13' C 0.3670(10) 0.4564(11) 0.5715(7) 0.059(3) Uani 0.438(11) 1 d PDU C 2
H13D H 0.3807 0.4917 0.6300 0.089 Uiso 0.438(11) 1 calc PR C 2
H13E H 0.4483 0.4681 0.5663 0.089 Uiso 0.438(11) 1 calc PR C 2
H13F H 0.3192 0.3733 0.5611 0.089 Uiso 0.438(11) 1 calc PR C 2
C14' C 0.1843(10) 0.5307(10) 0.5288(9) 0.079(3) Uani 0.438(11) 1 d PDU C 2
H14D H 0.2210 0.5877 0.5826 0.119 Uiso 0.438(11) 1 calc PR C 2
H14E H 0.1335 0.4566 0.5377 0.119 Uiso 0.438(11) 1 calc PR C 2
H14F H 0.1309 0.5581 0.4822 0.119 Uiso 0.438(11) 1 calc PR C 2
C15' C 0.2341(13) 0.4375(11) 0.4106(5) 0.076(3) Uani 0.438(11) 1 d PDU C 2
H15D H 0.1465 0.4319 0.3821 0.114 Uiso 0.438(11) 1 calc PR C 2
H15E H 0.2371 0.3599 0.4160 0.114 Uiso 0.438(11) 1 calc PR C 2
H15F H 0.2824 0.4725 0.3756 0.114 Uiso 0.438(11) 1 calc PR C 2
C16 C 0.8591(4) 0.9228(3) 0.7712(3) 0.0398(9) Uani 1 1 d . C .
C17 C 0.9669(4) 0.8831(3) 0.8199(3) 0.0708(14) Uani 1 1 d DU . .
C18 C 1.0122(9) 0.8230(9) 0.7585(5) 0.092(3) Uani 0.611(11) 1 d PDU D 1
H18A H 1.0508 0.8797 0.7279 0.137 Uiso 0.611(11) 1 calc PR D 1
H18B H 0.9402 0.7601 0.7160 0.137 Uiso 0.611(11) 1 calc PR D 1
H18C H 1.0741 0.7914 0.7930 0.137 Uiso 0.611(11) 1 calc PR D 1
C19 C 0.9062(8) 0.7927(8) 0.8692(7) 0.096(3) Uani 0.611(11) 1 d PDU D 1
H19A H 0.8748 0.8297 0.9061 0.144 Uiso 0.611(11) 1 calc PR D 1
H19B H 0.9694 0.7639 0.9055 0.144 Uiso 0.611(11) 1 calc PR D 1
H19C H 0.8362 0.7280 0.8270 0.144 Uiso 0.611(11) 1 calc PR D 1
C20 C 1.0812(7) 0.9841(6) 0.8871(6) 0.081(3) Uani 0.611(11) 1 d PDU D 1
H20A H 1.1195 1.0406 0.8562 0.122 Uiso 0.611(11) 1 calc PR D 1
H20B H 1.1435 0.9532 0.9219 0.122 Uiso 0.611(11) 1 calc PR D 1
H20C H 1.0525 1.0220 0.9254 0.122 Uiso 0.611(11) 1 calc PR D 1
C18' C 1.0405(13) 0.9057(15) 0.7574(8) 0.096(3) Uani 0.389(11) 1 d PDU D 2
H18D H 1.0599 0.9864 0.7492 0.144 Uiso 0.389(11) 1 calc PR D 2
H18E H 0.9888 0.8542 0.7011 0.144 Uiso 0.389(11) 1 calc PR D 2
H18F H 1.1189 0.8906 0.7826 0.144 Uiso 0.389(11) 1 calc PR D 2
C19' C 0.9265(14) 0.7523(5) 0.8273(10) 0.098(4) Uani 0.389(11) 1 d PDU D 2
H19D H 0.9463 0.7098 0.7857 0.147 Uiso 0.389(11) 1 calc PR D 2
H19E H 0.8358 0.7210 0.8144 0.147 Uiso 0.389(11) 1 calc PR D 2
H19F H 0.9720 0.7440 0.8864 0.147 Uiso 0.389(11) 1 calc PR D 2
C20' C 1.0526(12) 0.9585(11) 0.9117(5) 0.073(4) Uani 0.389(11) 1 d PDU D 2
H20D H 1.1109 1.0303 0.9055 0.110 Uiso 0.389(11) 1 calc PR D 2
H20E H 1.1004 0.9154 0.9468 0.110 Uiso 0.389(11) 1 calc PR D 2
H20F H 1.0003 0.9770 0.9405 0.110 Uiso 0.389(11) 1 calc PR D 2
C21 C 0.2640(4) 1.0663(3) 0.5066(2) 0.0312(8) Uani 1 1 d . . .
H21A H 0.1973 1.0848 0.4622 0.037 Uiso 1 1 calc R . .
H21B H 0.2672 1.0956 0.5643 0.037 Uiso 1 1 calc R . .
C22 C 0.3266(3) 0.8945(3) 0.5606(2) 0.0300(8) Uani 1 1 d . C .
H22A H 0.3434 0.9308 0.6203 0.036 Uiso 1 1 calc R . .
H22B H 0.2930 0.8095 0.5566 0.036 Uiso 1 1 calc R . .
C23 C 0.1929(3) 0.8750(3) 0.4002(2) 0.0311(8) Uani 1 1 d . A .
H23A H 0.1595 0.7899 0.3952 0.037 Uiso 1 1 calc R . .
H23B H 0.1249 0.8975 0.3609 0.037 Uiso 1 1 calc R . .
C24 C 0.2246(3) 0.9313(3) 0.4951(2) 0.0273(8) Uani 1 1 d . . .
C25 C 0.1018(4) 0.8841(4) 0.5145(3) 0.0428(10) Uani 1 1 d . . .
H25A H 0.0747 0.7996 0.5080 0.064 Uiso 1 1 calc R . .
H25B H 0.0356 0.9056 0.4737 0.064 Uiso 1 1 calc R . .
H25C H 0.1181 0.9175 0.5741 0.064 Uiso 1 1 calc R . .
C26 C 0.4700(4) 0.7274(5) 0.1988(3) 0.0577(13) Uani 1 1 d . . .
H26A H 0.5061 0.7987 0.1780 0.069 Uiso 1 1 calc R . .
H26B H 0.5061 0.6702 0.1854 0.069 Uiso 1 1 calc R . .
C27 C 0.5068(5) 0.7555(4) 0.2986(3) 0.0534(12) Uani 1 1 d . A .
H27A H 0.4760 0.6837 0.3206 0.064 Uiso 1 1 calc R . .
H27B H 0.5995 0.7890 0.3278 0.064 Uiso 1 1 calc R . .
C28 C 0.2725(5) 0.5578(4) 0.1685(3) 0.0532(13) Uani 1 1 d . . .
H28A H 0.2402 0.5012 0.1140 0.064 Uiso 1 1 calc R . .
H28B H 0.3388 0.5384 0.2124 0.064 Uiso 1 1 calc R . .
C29 C 0.1659(5) 0.5478(3) 0.2005(3) 0.0493(12) Uani 1 1 d . A .
H29A H 0.0907 0.5458 0.1512 0.059 Uiso 1 1 calc R . .
H29B H 0.1442 0.4741 0.2223 0.059 Uiso 1 1 calc R . .
C30 C 0.2986(4) 0.6836(4) 0.0567(2) 0.0458(11) Uani 1 1 d . . .
H30A H 0.3237 0.6261 0.0302 0.055 Uiso 1 1 calc R . .
H30B H 0.3464 0.7613 0.0495 0.055 Uiso 1 1 calc R . .
C31 C 0.1563(4) 0.6572(4) 0.0095(2) 0.0427(10) Uani 1 1 d . A .
H31A H 0.1383 0.6695 -0.0513 0.051 Uiso 1 1 calc R . .
H31B H 0.1084 0.5755 0.0086 0.051 Uiso 1 1 calc R . .
O1 O 0.4237(3) 1.0603(2) 0.26014(16) 0.0392(6) Uani 1 1 d . . .
O2 O 0.3681(3) 0.9540(2) 0.13081(19) 0.0559(9) Uani 1 1 d . . .
O3 O 0.0218(3) 0.7511(2) 0.19221(18) 0.0420(7) Uani 1 1 d . . .
O4 O -0.1021(3) 0.6401(3) 0.0606(2) 0.0630(9) Uani 1 1 d . . .
O5 O 0.3589(2) 0.68769(19) 0.44117(16) 0.0340(6) Uani 1 1 d . . .
O6 O 0.4658(3) 0.6916(2) 0.58360(17) 0.0397(7) Uani 1 1 d . . .
O7 O 0.8488(3) 1.0113(2) 0.8071(2) 0.0528(8) Uani 1 1 d . . .
O8 O 0.7790(3) 0.8602(3) 0.69752(18) 0.0493(7) Uani 1 1 d . . .
O9 O 0.3830(2) 1.1287(2) 0.49967(15) 0.0280(5) Uani 1 1 d . . .
O10 O 0.4455(2) 0.92610(18) 0.54675(14) 0.0237(5) Uani 1 1 d . . .
O11 O 0.2973(2) 0.9053(2) 0.36967(15) 0.0262(5) Uani 1 1 d . . .
O12 O 0.4518(2) 0.8372(2) 0.31775(15) 0.0289(5) Uani 1 1 d . . .
O13 O 0.1998(3) 0.6443(2) 0.26977(17) 0.0396(6) Uani 1 1 d . . .
O14 O 0.1192(3) 0.7339(2) 0.05554(16) 0.0384(6) Uani 1 1 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'
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
C26 N1 C30 109.7(3) . .
C26 N1 C28 111.2(4) . .
C30 N1 C28 112.6(3) . .
C26 N1 Nd1 104.8(2) . .
C30 N1 Nd1 105.2(2) . .
C28 N1 Nd1 112.9(2) . .
O7 Nd1 O3 71.35(10) 2_676 .
O7 Nd1 O11 83.49(9) 2_676 .
O3 Nd1 O11 89.55(8) . .
O7 Nd1 O2 82.12(12) 2_676 .
O3 Nd1 O2 136.73(11) . .
O11 Nd1 O2 121.30(9) . .
O7 Nd1 O12 132.09(9) 2_676 .
O3 Nd1 O12 135.97(9) . .
O11 Nd1 O12 63.06(8) . .
O2 Nd1 O12 87.08(10) . .
O7 Nd1 O14 93.12(10) 2_676 .
O3 Nd1 O14 70.95(9) . .
O11 Nd1 O14 160.20(9) . .
O2 Nd1 O14 77.24(9) . .
O12 Nd1 O14 129.60(8) . .
O7 Nd1 O13 135.45(10) 2_676 .
O3 Nd1 O13 68.49(10) . .
O11 Nd1 O13 77.77(8) . .
O2 Nd1 O13 141.78(10) . .
O12 Nd1 O13 72.21(9) . .
O14 Nd1 O13 91.44(9) . .
O7 Nd1 O1 67.46(9) 2_676 .
O3 Nd1 O1 136.39(9) . .
O11 Nd1 O1 72.38(8) . .
O2 Nd1 O1 49.56(8) . .
O12 Nd1 O1 70.13(8) . .
O14 Nd1 O1 124.26(8) . .
O13 Nd1 O1 139.50(8) . .
O7 Nd1 N1 152.28(11) 2_676 .
O3 Nd1 N1 111.43(10) . .
O11 Nd1 N1 123.47(9) . .
O2 Nd1 N1 78.07(11) . .
O12 Nd1 N1 66.20(9) . .
O14 Nd1 N1 63.78(9) . .
O13 Nd1 N1 64.34(10) . .
O1 Nd1 N1 111.63(9) . .
O7 Nd1 C1 70.85(12) 2_676 .
O3 Nd1 C1 140.38(11) . .
O11 Nd1 C1 97.59(9) . .
O2 Nd1 C1 24.60(10) . .
O12 Nd1 C1 80.23(10) . .
O14 Nd1 C1 99.70(10) . .
O13 Nd1 C1 151.11(11) . .
O1 Nd1 C1 25.24(9) . .
N1 Nd1 C1 96.86(11) . .
O7 Nd1 Mn1 111.11(7) 2_676 .
O3 Nd1 Mn1 112.91(7) . .
O11 Nd1 Mn1 31.94(6) . .
O2 Nd1 Mn1 108.25(8) . .
O12 Nd1 Mn1 31.37(5) . .
O14 Nd1 Mn1 155.56(6) . .
O13 Nd1 Mn1 69.32(6) . .
O1 Nd1 Mn1 70.84(5) . .
N1 Nd1 Mn1 93.51(7) . .
C1 Nd1 Mn1 91.53(8) . .
O12 Mn1 O9 98.20(11) . 2_676
O12 Mn1 O11 84.44(10) . .
O9 Mn1 O11 172.75(10) 2_676 .
O12 Mn1 O10 175.17(10) . .
O9 Mn1 O10 86.14(10) 2_676 .
O11 Mn1 O10 91.00(10) . .
O12 Mn1 O10 98.09(9) . 2_676
O9 Mn1 O10 86.34(9) 2_676 2_676
O11 Mn1 O10 86.60(9) . 2_676
O10 Mn1 O10 79.99(9) . 2_676
O12 Mn1 O5 93.04(10) . .
O9 Mn1 O5 89.99(10) 2_676 .
O11 Mn1 O5 96.63(10) . .
O10 Mn1 O5 89.07(9) . .
O10 Mn1 O5 168.66(9) 2_676 .
O12 Mn1 Mn2 139.16(8) . .
O9 Mn1 Mn2 43.07(7) 2_676 .
O11 Mn1 Mn2 135.73(7) . .
O10 Mn1 Mn2 45.59(7) . .
O10 Mn1 Mn2 92.43(6) 2_676 .
O5 Mn1 Mn2 77.65(6) . .
O12 Mn1 Mn1 134.56(8) . 2_676
O9 Mn1 Mn1 85.10(7) 2_676 2_676
O11 Mn1 Mn1 88.24(7) . 2_676
O10 Mn1 Mn1 43.38(6) . 2_676
O10 Mn1 Mn1 36.61(5) 2_676 2_676
O5 Mn1 Mn1 132.37(7) . 2_676
Mn2 Mn1 Mn1 66.779(19) . 2_676
O12 Mn1 Nd1 42.84(8) . .
O9 Mn1 Nd1 141.04(7) 2_676 .
O11 Mn1 Nd1 41.98(7) . .
O10 Mn1 Nd1 132.78(7) . .
O10 Mn1 Nd1 97.48(6) 2_676 .
O5 Mn1 Nd1 92.12(6) . .
Mn2 Mn1 Nd1 169.43(2) . .
Mn1 Mn1 Nd1 120.14(2) 2_676 .
O8 Mn2 O1 95.59(11) . 2_676
O8 Mn2 O6 108.20(12) . .
O1 Mn2 O6 106.62(10) 2_676 .
O8 Mn2 O9 97.99(11) . 2_676
O1 Mn2 O9 153.15(10) 2_676 2_676
O6 Mn2 O9 90.97(10) . 2_676
O8 Mn2 O10 163.01(11) . .
O1 Mn2 O10 86.12(10) 2_676 .
O6 Mn2 O10 87.35(10) . .
O9 Mn2 O10 74.35(9) 2_676 .
O8 Mn2 Mn1 135.41(9) . .
O1 Mn2 Mn1 125.01(8) 2_676 .
O6 Mn2 Mn1 79.50(7) . .
O9 Mn2 Mn1 37.43(6) 2_676 .
O10 Mn2 Mn1 38.97(6) . .
O2 C1 O1 119.9(4) . .
O2 C1 C2 120.3(3) . .
O1 C1 C2 119.9(3) . .
O2 C1 Nd1 54.58(19) . .
O1 C1 Nd1 66.3(2) . .
C2 C1 Nd1 168.4(3) . .
C1 C2 C4' 112.7(4) . .
C1 C2 C3 115.0(5) . .
C4' C2 C3 127.4(6) . .
C1 C2 C3' 107.9(4) . .
C4' C2 C3' 109.58(10) . .
C3 C2 C3' 34.2(4) . .
C1 C2 C5 107.7(5) . .
C4' C2 C5 74.6(5) . .
C3 C2 C5 109.62(11) . .
C3' C2 C5 138.7(5) . .
C1 C2 C5' 107.4(4) . .
C4' C2 C5' 109.63(10) . .
C3 C2 C5' 75.6(4) . .
C3' C2 C5' 109.51(10) . .
C5 C2 C5' 38.6(4) . .
C1 C2 C4 105.3(5) . .
C4' C2 C4 35.2(5) . .
C3 C2 C4 109.61(10) . .
C3' C2 C4 80.4(5) . .
C5 C2 C4 109.54(10) . .
C5' C2 C4 140.5(5) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C2 C3' H3'A 109.5 . .
C2 C3' H3'B 109.5 . .
H3'A C3' H3'B 109.5 . .
C2 C3' H3'C 109.5 . .
H3'A C3' H3'C 109.5 . .
H3'B C3' H3'C 109.5 . .
C2 C4' H4'A 109.5 . .
C2 C4' H4'B 109.5 . .
H4'A C4' H4'B 109.5 . .
C2 C4' H4'C 109.5 . .
H4'A C4' H4'C 109.5 . .
H4'B C4' H4'C 109.5 . .
C2 C5' H5'A 109.5 . .
C2 C5' H5'B 109.5 . .
H5'A C5' H5'B 109.5 . .
C2 C5' H5'C 109.5 . .
H5'A C5' H5'C 109.5 . .
H5'B C5' H5'C 109.5 . .
O3 C6 O4 123.0(4) . .
O3 C6 C7 117.7(3) . .
O4 C6 C7 119.1(3) . .
C6 C7 C10 103.7(7) . .
C6 C7 C10' 115.1(6) . .
C10 C7 C10' 19.8(8) . .
C6 C7 C8' 106.3(5) . .
C10 C7 C8' 130.4(8) . .
C10' C7 C8' 110.6(7) . .
C6 C7 C9 119.7(7) . .
C10 C7 C9 109.60(11) . .
C10' C7 C9 112.9(10) . .
C8' C7 C9 88.3(5) . .
C6 C7 C9' 105.4(7) . .
C10 C7 C9' 99.1(8) . .
C10' C7 C9' 109.60(11) . .
C8' C7 C9' 109.55(9) . .
C9 C7 C9' 22.3(5) . .
C6 C7 C8 104.3(6) . .
C10 C7 C8 109.56(11) . .
C10' C7 C8 90.5(7) . .
C8' C7 C8 24.5(5) . .
C9 C7 C8 109.54(11) . .
C9' C7 C8 131.8(5) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C7 C8' H8'A 109.5 . .
C7 C8' H8'B 109.5 . .
H8'A C8' H8'B 109.5 . .
C7 C8' H8'C 109.5 . .
H8'A C8' H8'C 109.5 . .
H8'B C8' H8'C 109.5 . .
C7 C9' H9'A 109.5 . .
C7 C9' H9'B 109.5 . .
H9'A C9' H9'B 109.5 . .
C7 C9' H9'C 109.5 . .
H9'A C9' H9'C 109.5 . .
H9'B C9' H9'C 109.5 . .
C7 C10' H10D 109.5 . .
C7 C10' H10E 109.5 . .
H10D C10' H10E 109.5 . .
C7 C10' H10F 109.5 . .
H10D C10' H10F 109.5 . .
H10E C10' H10F 109.5 . .
O6 C11 O5 124.0(3) . .
O6 C11 C12 117.3(3) . .
O5 C11 C12 118.7(3) . .
C11 C12 C13 115.8(5) . .
C11 C12 C14 108.9(4) . .
C13 C12 C14 109.65(11) . .
C11 C12 C15' 114.8(6) . .
C13 C12 C15' 123.1(8) . .
C14 C12 C15' 75.9(5) . .
C11 C12 C13' 108.5(5) . .
C13 C12 C13' 27.7(5) . .
C14 C12 C13' 134.1(5) . .
C15' C12 C13' 110.5(8) . .
C11 C12 C14' 103.7(5) . .
C13 C12 C14' 81.9(5) . .
C14 C12 C14' 35.5(4) . .
C15' C12 C14' 109.61(9) . .
C13' C12 C14' 109.52(11) . .
C11 C12 C15 106.4(4) . .
C13 C12 C15 109.8(6) . .
C14 C12 C15 105.7(4) . .
C15' C12 C15 29.9(5) . .
C13' C12 C15 88.0(6) . .
C14' C12 C15 137.9(5) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C12 C13' H13D 109.5 . .
C12 C13' H13E 109.5 . .
H13D C13' H13E 109.5 . .
C12 C13' H13F 109.5 . .
H13D C13' H13F 109.5 . .
H13E C13' H13F 109.5 . .
C12 C14' H14D 109.5 . .
C12 C14' H14E 109.5 . .
H14D C14' H14E 109.5 . .
C12 C14' H14F 109.5 . .
H14D C14' H14F 109.5 . .
H14E C14' H14F 109.5 . .
C12 C15' H15D 109.5 . .
C12 C15' H15E 109.5 . .
H15D C15' H15E 109.5 . .
C12 C15' H15F 109.5 . .
H15D C15' H15F 109.5 . .
H15E C15' H15F 109.5 . .
O7 C16 O8 123.6(4) . .
O7 C16 C17 119.0(4) . .
O8 C16 C17 117.3(4) . .
C16 C17 C19' 114.9(6) . .
C16 C17 C18 113.3(4) . .
C19' C17 C18 73.3(5) . .
C16 C17 C20 112.2(5) . .
C19' C17 C20 126.4(7) . .
C18 C17 C20 109.63(11) . .
C16 C17 C20' 113.6(6) . .
C19' C17 C20' 109.63(11) . .
C18 C17 C20' 125.3(8) . .
C20 C17 C20' 24.1(5) . .
C16 C17 C18' 99.0(6) . .
C19' C17 C18' 109.57(11) . .
C18 C17 C18' 36.4(5) . .
C20 C17 C18' 86.5(6) . .
C20' C17 C18' 109.57(11) . .
C16 C17 C19 102.5(4) . .
C19' C17 C19 36.3(5) . .
C18 C17 C19 109.43(10) . .
C20 C17 C19 109.47(10) . .
C20' C17 C19 86.1(5) . .
C18' C17 C19 145.4(5) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C17 C18' H18D 109.5 . .
C17 C18' H18E 109.5 . .
H18D C18' H18E 109.5 . .
C17 C18' H18F 109.5 . .
H18D C18' H18F 109.5 . .
H18E C18' H18F 109.5 . .
C17 C19' H19D 109.5 . .
C17 C19' H19E 109.5 . .
H19D C19' H19E 109.5 . .
C17 C19' H19F 109.5 . .
H19D C19' H19F 109.5 . .
H19E C19' H19F 109.5 . .
C17 C20' H20D 109.5 . .
C17 C20' H20E 109.5 . .
H20D C20' H20E 109.5 . .
C17 C20' H20F 109.5 . .
H20D C20' H20F 109.5 . .
H20E C20' H20F 109.5 . .
O9 C21 C24 116.4(3) . .
O9 C21 H21A 108.2 . .
C24 C21 H21A 108.2 . .
O9 C21 H21B 108.2 . .
C24 C21 H21B 108.2 . .
H21A C21 H21B 107.3 . .
O10 C22 C24 114.3(3) . .
O10 C22 H22A 108.7 . .
C24 C22 H22A 108.7 . .
O10 C22 H22B 108.7 . .
C24 C22 H22B 108.7 . .
H22A C22 H22B 107.6 . .
O11 C23 C24 115.8(3) . .
O11 C23 H23A 108.3 . .
C24 C23 H23A 108.3 . .
O11 C23 H23B 108.3 . .
C24 C23 H23B 108.3 . .
H23A C23 H23B 107.4 . .
C23 C24 C25 107.0(3) . .
C23 C24 C22 110.9(3) . .
C25 C24 C22 107.9(3) . .
C23 C24 C21 111.9(3) . .
C25 C24 C21 107.5(3) . .
C22 C24 C21 111.6(3) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N1 C26 C27 111.7(4) . .
N1 C26 H26A 109.3 . .
C27 C26 H26A 109.3 . .
N1 C26 H26B 109.3 . .
C27 C26 H26B 109.3 . .
H26A C26 H26B 107.9 . .
O12 C27 C26 109.1(4) . .
O12 C27 H27A 109.9 . .
C26 C27 H27A 109.9 . .
O12 C27 H27B 109.9 . .
C26 C27 H27B 109.9 . .
H27A C27 H27B 108.3 . .
C29 C28 N1 112.2(3) . .
C29 C28 H28A 109.2 . .
N1 C28 H28A 109.2 . .
C29 C28 H28B 109.2 . .
N1 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
O13 C29 C28 111.9(3) . .
O13 C29 H29A 109.2 . .
C28 C29 H29A 109.2 . .
O13 C29 H29B 109.2 . .
C28 C29 H29B 109.2 . .
H29A C29 H29B 107.9 . .
N1 C30 C31 110.8(3) . .
N1 C30 H30A 109.5 . .
C31 C30 H30A 109.5 . .
N1 C30 H30B 109.5 . .
C31 C30 H30B 109.5 . .
H30A C30 H30B 108.1 . .
O14 C31 C30 108.4(3) . .
O14 C31 H31A 110.0 . .
C30 C31 H31A 110.0 . .
O14 C31 H31B 110.0 . .
C30 C31 H31B 110.0 . .
H31A C31 H31B 108.4 . .
C1 O1 Mn2 156.2(3) . 2_676
C1 O1 Nd1 88.4(2) . .
Mn2 O1 Nd1 102.85(10) 2_676 .
C1 O2 Nd1 100.8(2) . .
C6 O3 Nd1 142.5(3) . .
C11 O5 Mn1 127.3(2) . .
C11 O6 Mn2 131.3(2) . .
C16 O7 Nd1 146.9(3) . 2_676
C16 O8 Mn2 126.9(3) . .
C21 O9 Mn1 126.9(2) . 2_676
C21 O9 Mn2 120.4(2) . 2_676
Mn1 O9 Mn2 99.50(10) 2_676 2_676
C22 O10 Mn1 122.03(19) . .
C22 O10 Mn2 120.08(18) . .
Mn1 O10 Mn2 95.43(9) . .
C22 O10 Mn1 113.28(18) . 2_676
Mn1 O10 Mn1 100.01(9) . 2_676
Mn2 O10 Mn1 102.24(9) . 2_676
C23 O11 Mn1 120.8(2) . .
C23 O11 Nd1 116.83(19) . .
Mn1 O11 Nd1 106.08(10) . .
C27 O12 Mn1 122.4(2) . .
C27 O12 Nd1 121.2(2) . .
Mn1 O12 Nd1 105.79(10) . .
C29 O13 Nd1 110.2(2) . .
C31 O14 Nd1 124.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C26 1.470(6) .
N1 C30 1.469(5) .
N1 C28 1.502(6) .
N1 Nd1 2.718(3) .
Nd1 O7 2.391(3) 2_676
Nd1 O3 2.411(3) .
Nd1 O11 2.444(2) .
Nd1 O2 2.457(3) .
Nd1 O12 2.481(2) .
Nd1 O14 2.496(2) .
Nd1 O13 2.553(2) .
Nd1 O1 2.713(3) .
Nd1 C1 2.962(4) .
Nd1 Mn1 3.5112(6) .
Mn1 O12 1.900(2) .
Mn1 O9 1.905(2) 2_676
Mn1 O11 1.933(2) .
Mn1 O10 1.953(2) .
Mn1 O10 2.249(2) 2_676
Mn1 O5 2.254(2) .
Mn1 Mn2 3.0909(7) .
Mn1 Mn1 3.2243(9) 2_676
Mn2 O8 2.063(3) .
Mn2 O1 2.127(2) 2_676
Mn2 O6 2.130(3) .
Mn2 O9 2.140(2) 2_676
Mn2 O10 2.218(2) .
C1 O2 1.255(5) .
C1 O1 1.263(4) .
C1 C2 1.510(5) .
C2 C4' 1.5292(11) .
C2 C3 1.5292(11) .
C2 C3' 1.5304(11) .
C2 C5 1.5302(11) .
C2 C5' 1.5301(11) .
C2 C4 1.5302(11) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C3' H3'A 0.9600 .
C3' H3'B 0.9600 .
C3' H3'C 0.9600 .
C4' H4'A 0.9600 .
C4' H4'B 0.9600 .
C4' H4'C 0.9600 .
C5' H5'A 0.9600 .
C5' H5'B 0.9600 .
C5' H5'C 0.9600 .
C6 O3 1.252(5) .
C6 O4 1.260(5) .
C6 C7 1.517(5) .
C7 C10 1.5299(11) .
C7 C10' 1.5297(11) .
C7 C8' 1.5301(11) .
C7 C9 1.5299(11) .
C7 C9' 1.5302(11) .
C7 C8 1.5304(11) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C8' H8'A 0.9600 .
C8' H8'B 0.9600 .
C8' H8'C 0.9600 .
C9' H9'A 0.9600 .
C9' H9'B 0.9600 .
C9' H9'C 0.9600 .
C10' H10D 0.9600 .
C10' H10E 0.9600 .
C10' H10F 0.9600 .
C11 O6 1.257(5) .
C11 O5 1.263(4) .
C11 C12 1.527(5) .
C12 C13 1.5291(11) .
C12 C14 1.5300(11) .
C12 C15' 1.5293(11) .
C12 C13' 1.5305(11) .
C12 C14' 1.5301(11) .
C12 C15 1.605(8) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C13' H13D 0.9600 .
C13' H13E 0.9600 .
C13' H13F 0.9600 .
C14' H14D 0.9600 .
C14' H14E 0.9600 .
C14' H14F 0.9600 .
C15' H15D 0.9600 .
C15' H15E 0.9600 .
C15' H15F 0.9600 .
C16 O7 1.251(5) .
C16 O8 1.263(5) .
C16 C17 1.495(5) .
C17 C19' 1.5293(11) .
C17 C18 1.5297(11) .
C17 C20 1.5298(11) .
C17 C20' 1.5298(11) .
C17 C18' 1.5303(11) .
C17 C19 1.5318(11) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C18' H18D 0.9600 .
C18' H18E 0.9600 .
C18' H18F 0.9600 .
C19' H19D 0.9600 .
C19' H19E 0.9600 .
C19' H19F 0.9600 .
C20' H20D 0.9600 .
C20' H20E 0.9600 .
C20' H20F 0.9600 .
C21 O9 1.417(4) .
C21 C24 1.535(5) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O10 1.434(4) .
C22 C24 1.523(5) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 O11 1.432(4) .
C23 C24 1.523(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.529(5) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.520(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 O12 1.417(5) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.491(7) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 O13 1.434(4) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.514(6) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 O14 1.421(4) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
O1 Mn2 2.127(2) 2_676
O7 Nd1 2.391(3) 2_676
O9 Mn1 1.905(2) 2_676
O9 Mn2 2.140(2) 2_676
O10 Mn1 2.249(2) 2_676
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
C26 N1 Nd1 O7 111.7(3) . 2_676
C30 N1 Nd1 O7 -3.9(4) . 2_676
C28 N1 Nd1 O7 -127.1(3) . 2_676
C26 N1 Nd1 O3 -157.8(3) . .
C30 N1 Nd1 O3 86.6(3) . .
C28 N1 Nd1 O3 -36.6(3) . .
C26 N1 Nd1 O11 -53.3(3) . .
C30 N1 Nd1 O11 -169.0(2) . .
C28 N1 Nd1 O11 67.8(3) . .
C26 N1 Nd1 O2 66.5(3) . .
C30 N1 Nd1 O2 -49.2(3) . .
C28 N1 Nd1 O2 -172.4(3) . .
C26 N1 Nd1 O12 -25.6(3) . .
C30 N1 Nd1 O12 -141.3(3) . .
C28 N1 Nd1 O12 95.5(3) . .
C26 N1 Nd1 O14 148.0(3) . .
C30 N1 Nd1 O14 32.3(2) . .
C28 N1 Nd1 O14 -90.9(3) . .
C26 N1 Nd1 O13 -106.5(3) . .
C30 N1 Nd1 O13 137.8(3) . .
C28 N1 Nd1 O13 14.7(2) . .
C26 N1 Nd1 O1 29.3(3) . .
C30 N1 Nd1 O1 -86.4(3) . .
C28 N1 Nd1 O1 150.5(2) . .
C26 N1 Nd1 C1 50.5(3) . .
C30 N1 Nd1 C1 -65.2(3) . .
C28 N1 Nd1 C1 171.7(3) . .
C26 N1 Nd1 Mn1 -41.5(3) . .
C30 N1 Nd1 Mn1 -157.1(2) . .
C28 N1 Nd1 Mn1 79.7(3) . .
O7 Nd1 Mn1 O12 -138.34(13) 2_676 .
O3 Nd1 Mn1 O12 143.72(13) . .
O11 Nd1 Mn1 O12 -170.24(15) . .
O2 Nd1 Mn1 O12 -49.91(13) . .
O14 Nd1 Mn1 O12 49.49(19) . .
O13 Nd1 Mn1 O12 89.53(13) . .
O1 Nd1 Mn1 O12 -83.03(12) . .
N1 Nd1 Mn1 O12 28.67(13) . .
C1 Nd1 Mn1 O12 -68.30(13) . .
O7 Nd1 Mn1 O9 -137.92(14) 2_676 2_676
O3 Nd1 Mn1 O9 144.13(13) . 2_676
O11 Nd1 Mn1 O9 -169.83(16) . 2_676
O2 Nd1 Mn1 O9 -49.50(14) . 2_676
O12 Nd1 Mn1 O9 0.41(15) . 2_676
O14 Nd1 Mn1 O9 49.91(19) . 2_676
O13 Nd1 Mn1 O9 89.95(13) . 2_676
O1 Nd1 Mn1 O9 -82.61(13) . 2_676
N1 Nd1 Mn1 O9 29.09(14) . 2_676
C1 Nd1 Mn1 O9 -67.89(14) . 2_676
O7 Nd1 Mn1 O11 31.90(14) 2_676 .
O3 Nd1 Mn1 O11 -46.04(13) . .
O2 Nd1 Mn1 O11 120.33(13) . .
O12 Nd1 Mn1 O11 170.24(15) . .
O14 Nd1 Mn1 O11 -140.27(19) . .
O13 Nd1 Mn1 O11 -100.23(13) . .
O1 Nd1 Mn1 O11 87.22(12) . .
N1 Nd1 Mn1 O11 -161.09(13) . .
C1 Nd1 Mn1 O11 101.94(13) . .
O7 Nd1 Mn1 O10 38.78(12) 2_676 .
O3 Nd1 Mn1 O10 -39.16(11) . .
O11 Nd1 Mn1 O10 6.88(13) . .
O2 Nd1 Mn1 O10 127.20(12) . .
O12 Nd1 Mn1 O10 177.12(14) . .
O14 Nd1 Mn1 O10 -133.39(17) . .
O13 Nd1 Mn1 O10 -93.35(11) . .
O1 Nd1 Mn1 O10 94.09(11) . .
N1 Nd1 Mn1 O10 -154.21(12) . .
C1 Nd1 Mn1 O10 108.82(12) . .
O7 Nd1 Mn1 O10 -44.49(10) 2_676 2_676
O3 Nd1 Mn1 O10 -122.43(9) . 2_676
O11 Nd1 Mn1 O10 -76.39(12) . 2_676
O2 Nd1 Mn1 O10 43.94(10) . 2_676
O12 Nd1 Mn1 O10 93.85(12) . 2_676
O14 Nd1 Mn1 O10 143.34(16) . 2_676
O13 Nd1 Mn1 O10 -176.62(9) . 2_676
O1 Nd1 Mn1 O10 10.83(8) . 2_676
N1 Nd1 Mn1 O10 122.52(10) . 2_676
C1 Nd1 Mn1 O10 25.55(10) . 2_676
O7 Nd1 Mn1 O5 129.47(11) 2_676 .
O3 Nd1 Mn1 O5 51.52(10) . .
O11 Nd1 Mn1 O5 97.57(12) . .
O2 Nd1 Mn1 O5 -142.11(10) . .
O12 Nd1 Mn1 O5 -92.19(12) . .
O14 Nd1 Mn1 O5 -42.70(17) . .
O13 Nd1 Mn1 O5 -2.66(9) . .
O1 Nd1 Mn1 O5 -175.22(9) . .
N1 Nd1 Mn1 O5 -63.52(10) . .
C1 Nd1 Mn1 O5 -160.49(11) . .
O7 Nd1 Mn1 Mn2 115.00(13) 2_676 .
O3 Nd1 Mn1 Mn2 37.06(13) . .
O11 Nd1 Mn1 Mn2 83.10(15) . .
O2 Nd1 Mn1 Mn2 -156.58(13) . .
O12 Nd1 Mn1 Mn2 -106.66(15) . .
O14 Nd1 Mn1 Mn2 -57.17(19) . .
O13 Nd1 Mn1 Mn2 -17.13(12) . .
O1 Nd1 Mn1 Mn2 170.31(12) . .
N1 Nd1 Mn1 Mn2 -77.99(13) . .
C1 Nd1 Mn1 Mn2 -174.96(13) . .
O7 Nd1 Mn1 Mn1 -13.79(9) 2_676 2_676
O3 Nd1 Mn1 Mn1 -91.73(8) . 2_676
O11 Nd1 Mn1 Mn1 -45.69(10) . 2_676
O2 Nd1 Mn1 Mn1 74.63(8) . 2_676
O12 Nd1 Mn1 Mn1 124.55(11) . 2_676
O14 Nd1 Mn1 Mn1 174.04(15) . 2_676
O13 Nd1 Mn1 Mn1 -145.92(7) . 2_676
O1 Nd1 Mn1 Mn1 41.52(6) . 2_676
N1 Nd1 Mn1 Mn1 153.22(8) . 2_676
C1 Nd1 Mn1 Mn1 56.25(9) . 2_676
O12 Mn1 Mn2 O8 22.99(17) . .
O9 Mn1 Mn2 O8 -0.33(16) 2_676 .
O11 Mn1 Mn2 O8 -169.97(15) . .
O10 Mn1 Mn2 O8 -155.79(16) . .
O10 Mn1 Mn2 O8 -82.35(14) 2_676 .
O5 Mn1 Mn2 O8 103.19(15) . .
Mn1 Mn1 Mn2 O8 -109.17(13) 2_676 .
Nd1 Mn1 Mn2 O8 118.00(16) . .
O12 Mn1 Mn2 O1 174.61(14) . 2_676
O9 Mn1 Mn2 O1 151.29(14) 2_676 2_676
O11 Mn1 Mn2 O1 -18.34(14) . 2_676
O10 Mn1 Mn2 O1 -4.17(12) . 2_676
O10 Mn1 Mn2 O1 69.28(11) 2_676 2_676
O5 Mn1 Mn2 O1 -105.18(11) . 2_676
Mn1 Mn1 Mn2 O1 42.45(9) 2_676 2_676
Nd1 Mn1 Mn2 O1 -90.37(14) . 2_676
O12 Mn1 Mn2 O6 -82.36(14) . .
O9 Mn1 Mn2 O6 -105.68(13) 2_676 .
O11 Mn1 Mn2 O6 84.69(13) . .
O10 Mn1 Mn2 O6 98.86(12) . .
O10 Mn1 Mn2 O6 172.31(10) 2_676 .
O5 Mn1 Mn2 O6 -2.15(11) . .
Mn1 Mn1 Mn2 O6 145.48(8) 2_676 .
Nd1 Mn1 Mn2 O6 12.66(13) . .
O12 Mn1 Mn2 O9 23.32(15) . 2_676
O11 Mn1 Mn2 O9 -169.63(15) . 2_676
O10 Mn1 Mn2 O9 -155.46(14) . 2_676
O10 Mn1 Mn2 O9 -82.01(12) 2_676 2_676
O5 Mn1 Mn2 O9 103.53(12) . 2_676
Mn1 Mn1 Mn2 O9 -108.84(10) 2_676 2_676
Nd1 Mn1 Mn2 O9 118.34(15) . 2_676
O12 Mn1 Mn2 O10 178.78(15) . .
O9 Mn1 Mn2 O10 155.46(14) 2_676 .
O11 Mn1 Mn2 O10 -14.18(13) . .
O10 Mn1 Mn2 O10 73.44(12) 2_676 .
O5 Mn1 Mn2 O10 -101.02(11) . .
Mn1 Mn1 Mn2 O10 46.62(9) 2_676 .
Nd1 Mn1 Mn2 O10 -86.21(14) . .
O7 Nd1 C1 O2 -114.2(3) 2_676 .
O3 Nd1 C1 O2 -96.0(3) . .
O11 Nd1 C1 O2 165.5(3) . .
O12 Nd1 C1 O2 104.6(3) . .
O14 Nd1 C1 O2 -24.2(3) . .
O13 Nd1 C1 O2 87.0(3) . .
O1 Nd1 C1 O2 168.2(5) . .
N1 Nd1 C1 O2 40.3(3) . .
Mn1 Nd1 C1 O2 134.0(3) . .
O7 Nd1 C1 O1 77.6(2) 2_676 .
O3 Nd1 C1 O1 95.8(3) . .
O11 Nd1 C1 O1 -2.8(3) . .
O2 Nd1 C1 O1 -168.2(5) . .
O12 Nd1 C1 O1 -63.7(2) . .
O14 Nd1 C1 O1 167.5(2) . .
O13 Nd1 C1 O1 -81.2(3) . .
N1 Nd1 C1 O1 -128.0(2) . .
Mn1 Nd1 C1 O1 -34.3(2) . .
O7 Nd1 C1 C2 -47.0(14) 2_676 .
O3 Nd1 C1 C2 -28.8(15) . .
O11 Nd1 C1 C2 -127.4(14) . .
O2 Nd1 C1 C2 67.2(13) . .
O12 Nd1 C1 C2 171.7(14) . .
O14 Nd1 C1 C2 42.9(14) . .
O13 Nd1 C1 C2 154.2(13) . .
O1 Nd1 C1 C2 -124.6(15) . .
N1 Nd1 C1 C2 107.4(14) . .
Mn1 Nd1 C1 C2 -158.9(14) . .
O2 C1 C2 C4' 151.7(6) . .
O1 C1 C2 C4' -28.4(6) . .
Nd1 C1 C2 C4' 91.3(14) . .
O2 C1 C2 C3 -5.6(7) . .
O1 C1 C2 C3 174.4(6) . .
Nd1 C1 C2 C3 -66.0(15) . .
O2 C1 C2 C3' 30.5(6) . .
O1 C1 C2 C3' -149.5(5) . .
Nd1 C1 C2 C3' -29.9(15) . .
O2 C1 C2 C5 -128.0(7) . .
O1 C1 C2 C5 51.9(7) . .
Nd1 C1 C2 C5 171.5(14) . .
O2 C1 C2 C5' -87.4(6) . .
O1 C1 C2 C5' 92.5(6) . .
Nd1 C1 C2 C5' -147.9(14) . .
O2 C1 C2 C4 115.2(7) . .
O1 C1 C2 C4 -64.9(7) . .
Nd1 C1 C2 C4 54.7(15) . .
O3 C6 C7 C10 45.2(8) . .
O4 C6 C7 C10 -139.6(8) . .
O3 C6 C7 C10' 28.0(8) . .
O4 C6 C7 C10' -156.8(7) . .
O3 C6 C7 C8' -94.9(7) . .
O4 C6 C7 C8' 80.4(8) . .
O3 C6 C7 C9 167.6(7) . .
O4 C6 C7 C9 -17.2(8) . .
O3 C6 C7 C9' 148.9(6) . .
O4 C6 C7 C9' -35.9(7) . .
O3 C6 C7 C8 -69.5(8) . .
O4 C6 C7 C8 105.7(8) . .
O6 C11 C12 C13 0.4(7) . .
O5 C11 C12 C13 -178.4(6) . .
O6 C11 C12 C14 124.5(6) . .
O5 C11 C12 C14 -54.3(6) . .
O6 C11 C12 C15' -152.7(7) . .
O5 C11 C12 C15' 28.6(8) . .
O6 C11 C12 C13' -28.6(7) . .
O5 C11 C12 C13' 152.7(6) . .
O6 C11 C12 C14' 87.8(6) . .
O5 C11 C12 C14' -90.9(6) . .
O6 C11 C12 C15 -122.0(5) . .
O5 C11 C12 C15 59.3(6) . .
O7 C16 C17 C19' 128.2(8) . .
O8 C16 C17 C19' -47.9(8) . .
O7 C16 C17 C18 -150.2(6) . .
O8 C16 C17 C18 33.8(6) . .
O7 C16 C17 C20 -25.3(6) . .
O8 C16 C17 C20 158.6(5) . .
O7 C16 C17 C20' 0.8(8) . .
O8 C16 C17 C20' -175.2(7) . .
O7 C16 C17 C18' -115.2(7) . .
O8 C16 C17 C18' 68.7(7) . .
O7 C16 C17 C19 92.0(6) . .
O8 C16 C17 C19 -84.1(6) . .
O11 C23 C24 C25 -178.1(3) . .
O11 C23 C24 C22 -60.8(4) . .
O11 C23 C24 C21 64.4(4) . .
O10 C22 C24 C23 59.3(4) . .
O10 C22 C24 C25 176.1(3) . .
O10 C22 C24 C21 -66.1(4) . .
O9 C21 C24 C23 -68.6(4) . .
O9 C21 C24 C25 174.2(3) . .
O9 C21 C24 C22 56.2(4) . .
C30 N1 C26 C27 165.0(4) . .
C28 N1 C26 C27 -69.8(5) . .
Nd1 N1 C26 C27 52.5(4) . .
N1 C26 C27 O12 -57.8(5) . .
C26 N1 C28 C29 127.1(4) . .
C30 N1 C28 C29 -109.3(4) . .
Nd1 N1 C28 C29 9.7(4) . .
N1 C28 C29 O13 -46.9(5) . .
C26 N1 C30 C31 -169.2(3) . .
C28 N1 C30 C31 66.4(4) . .
Nd1 N1 C30 C31 -57.0(4) . .
N1 C30 C31 O14 52.7(5) . .
O2 C1 O1 Mn2 -130.4(6) . 2_676
C2 C1 O1 Mn2 49.7(9) . 2_676
Nd1 C1 O1 Mn2 -119.3(7) . 2_676
O2 C1 O1 Nd1 -11.0(4) . .
C2 C1 O1 Nd1 169.0(4) . .
O7 Nd1 O1 C1 -92.7(3) 2_676 .
O3 Nd1 O1 C1 -113.1(3) . .
O11 Nd1 O1 C1 177.1(3) . .
O2 Nd1 O1 C1 6.4(3) . .
O12 Nd1 O1 C1 110.1(3) . .
O14 Nd1 O1 C1 -14.9(3) . .
O13 Nd1 O1 C1 132.7(3) . .
N1 Nd1 O1 C1 57.3(3) . .
Mn1 Nd1 O1 C1 143.4(3) . .
O7 Nd1 O1 Mn2 66.13(12) 2_676 2_676
O3 Nd1 O1 Mn2 45.75(17) . 2_676
O11 Nd1 O1 Mn2 -24.04(10) . 2_676
O2 Nd1 O1 Mn2 165.26(18) . 2_676
O12 Nd1 O1 Mn2 -91.04(11) . 2_676
O14 Nd1 O1 Mn2 143.94(10) . 2_676
O13 Nd1 O1 Mn2 -68.47(17) . 2_676
N1 Nd1 O1 Mn2 -143.81(11) . 2_676
C1 Nd1 O1 Mn2 158.9(3) . 2_676
Mn1 Nd1 O1 Mn2 -57.71(8) . 2_676
O1 C1 O2 Nd1 12.4(5) . .
C2 C1 O2 Nd1 -167.6(4) . .
O7 Nd1 O2 C1 60.5(3) 2_676 .
O3 Nd1 O2 C1 112.3(3) . .
O11 Nd1 O2 C1 -16.9(3) . .
O12 Nd1 O2 C1 -72.7(3) . .
O14 Nd1 O2 C1 155.5(3) . .
O13 Nd1 O2 C1 -128.7(3) . .
O1 Nd1 O2 C1 -6.6(3) . .
N1 Nd1 O2 C1 -139.0(3) . .
Mn1 Nd1 O2 C1 -49.2(3) . .
O4 C6 O3 Nd1 -9.9(8) . .
C7 C6 O3 Nd1 165.2(3) . .
O7 Nd1 O3 C6 110.8(5) 2_676 .
O11 Nd1 O3 C6 -166.0(5) . .
O2 Nd1 O3 C6 55.5(5) . .
O12 Nd1 O3 C6 -117.3(4) . .
O14 Nd1 O3 C6 10.5(4) . .
O13 Nd1 O3 C6 -88.9(5) . .
O1 Nd1 O3 C6 130.6(4) . .
N1 Nd1 O3 C6 -39.8(5) . .
C1 Nd1 O3 C6 92.6(5) . .
Mn1 Nd1 O3 C6 -143.6(4) . .
O6 C11 O5 Mn1 -6.7(6) . .
C12 C11 O5 Mn1 172.0(2) . .
O12 Mn1 O5 C11 145.0(3) . .
O9 Mn1 O5 C11 46.8(3) 2_676 .
O11 Mn1 O5 C11 -130.2(3) . .
O10 Mn1 O5 C11 -39.3(3) . .
O10 Mn1 O5 C11 -24.2(7) 2_676 .
Mn2 Mn1 O5 C11 5.2(3) . .
Mn1 Mn1 O5 C11 -36.5(3) 2_676 .
Nd1 Mn1 O5 C11 -172.1(3) . .
O5 C11 O6 Mn2 3.1(6) . .
C12 C11 O6 Mn2 -175.6(2) . .
O8 Mn2 O6 C11 -133.9(3) . .
O1 Mn2 O6 C11 124.3(3) 2_676 .
O9 Mn2 O6 C11 -35.1(3) 2_676 .
O10 Mn2 O6 C11 39.1(3) . .
Mn1 Mn2 O6 C11 0.7(3) . .
O8 C16 O7 Nd1 -20.5(8) . 2_676
C17 C16 O7 Nd1 163.7(4) . 2_676
O7 C16 O8 Mn2 -10.4(6) . .
C17 C16 O8 Mn2 165.5(3) . .
O1 Mn2 O8 C16 -24.7(4) 2_676 .
O6 Mn2 O8 C16 -134.3(3) . .
O9 Mn2 O8 C16 132.0(4) 2_676 .
O10 Mn2 O8 C16 70.3(5) . .
Mn1 Mn2 O8 C16 132.2(3) . .
C24 C21 O9 Mn1 -55.8(4) . 2_676
C24 C21 O9 Mn2 77.1(3) . 2_676
C24 C22 O10 Mn1 -55.4(3) . .
C24 C22 O10 Mn2 -174.9(2) . .
C24 C22 O10 Mn1 64.1(3) . 2_676
O12 Mn1 O10 C22 58.7(13) . .
O9 Mn1 O10 C22 -147.3(2) 2_676 .
O11 Mn1 O10 C22 39.3(2) . .
O10 Mn1 O10 C22 125.7(2) 2_676 .
O5 Mn1 O10 C22 -57.3(2) . .
Mn2 Mn1 O10 C22 -130.8(2) . .
Mn1 Mn1 O10 C22 125.7(2) 2_676 .
Nd1 Mn1 O10 C22 34.8(2) . .
O12 Mn1 O10 Mn2 -170.5(12) . .
O9 Mn1 O10 Mn2 -16.52(9) 2_676 .
O11 Mn1 O10 Mn2 170.15(9) . .
O10 Mn1 O10 Mn2 -103.47(11) 2_676 .
O5 Mn1 O10 Mn2 73.54(9) . .
Mn1 Mn1 O10 Mn2 -103.47(11) 2_676 .
Nd1 Mn1 O10 Mn2 165.56(3) . .
O12 Mn1 O10 Mn1 -67.0(12) . 2_676
O9 Mn1 O10 Mn1 86.95(10) 2_676 2_676
O11 Mn1 O10 Mn1 -86.37(10) . 2_676
O10 Mn1 O10 Mn1 0.0 2_676 2_676
O5 Mn1 O10 Mn1 177.01(10) . 2_676
Mn2 Mn1 O10 Mn1 103.47(11) . 2_676
Nd1 Mn1 O10 Mn1 -90.97(10) . 2_676
O8 Mn2 O10 C22 -147.7(3) . .
O1 Mn2 O10 C22 -51.3(2) 2_676 .
O6 Mn2 O10 C22 55.6(2) . .
O9 Mn2 O10 C22 147.3(2) 2_676 .
Mn1 Mn2 O10 C22 132.1(2) . .
O8 Mn2 O10 Mn1 80.2(3) . .
O1 Mn2 O10 Mn1 176.58(10) 2_676 .
O6 Mn2 O10 Mn1 -76.55(10) . .
O9 Mn2 O10 Mn1 15.20(9) 2_676 .
O8 Mn2 O10 Mn1 -21.3(4) . 2_676
O1 Mn2 O10 Mn1 75.09(10) 2_676 2_676
O6 Mn2 O10 Mn1 -178.04(10) . 2_676
O9 Mn2 O10 Mn1 -86.29(9) 2_676 2_676
Mn1 Mn2 O10 Mn1 -101.49(11) . 2_676
C24 C23 O11 Mn1 56.6(4) . .
C24 C23 O11 Nd1 -171.9(2) . .
O12 Mn1 O11 C23 142.6(2) . .
O9 Mn1 O11 C23 -105.7(8) 2_676 .
O10 Mn1 O11 C23 -39.1(2) . .
O10 Mn1 O11 C23 -119.0(2) 2_676 .
O5 Mn1 O11 C23 50.1(2) . .
Mn2 Mn1 O11 C23 -29.0(3) . .
Mn1 Mn1 O11 C23 -82.3(2) 2_676 .
Nd1 Mn1 O11 C23 135.9(3) . .
O12 Mn1 O11 Nd1 6.65(10) . .
O9 Mn1 O11 Nd1 118.4(8) 2_676 .
O10 Mn1 O11 Nd1 -174.96(10) . .
O10 Mn1 O11 Nd1 105.13(10) 2_676 .
O5 Mn1 O11 Nd1 -85.78(10) . .
Mn2 Mn1 O11 Nd1 -164.88(3) . .
Mn1 Mn1 O11 Nd1 141.75(8) 2_676 .
O7 Nd1 O11 C23 71.8(2) 2_676 .
O3 Nd1 O11 C23 0.5(2) . .
O2 Nd1 O11 C23 148.5(2) . .
O12 Nd1 O11 C23 -143.6(2) . .
O14 Nd1 O11 C23 -9.3(4) . .
O13 Nd1 O11 C23 -67.5(2) . .
O1 Nd1 O11 C23 140.2(2) . .
N1 Nd1 O11 C23 -115.1(2) . .
C1 Nd1 O11 C23 141.4(2) . .
Mn1 Nd1 O11 C23 -137.9(3) . .
O7 Nd1 O11 Mn1 -150.25(12) 2_676 .
O3 Nd1 O11 Mn1 138.47(11) . .
O2 Nd1 O11 Mn1 -73.60(14) . .
O12 Nd1 O11 Mn1 -5.68(9) . .
O14 Nd1 O11 Mn1 128.7(2) . .
O13 Nd1 O11 Mn1 70.40(11) . .
O1 Nd1 O11 Mn1 -81.88(11) . .
N1 Nd1 O11 Mn1 22.82(15) . .
C1 Nd1 O11 Mn1 -80.63(13) . .
C26 C27 O12 Mn1 170.6(3) . .
C26 C27 O12 Nd1 31.0(5) . .
O9 Mn1 O12 C27 35.4(3) 2_676 .
O11 Mn1 O12 C27 -151.4(3) . .
O10 Mn1 O12 C27 -170.8(11) . .
O10 Mn1 O12 C27 122.9(3) 2_676 .
O5 Mn1 O12 C27 -55.0(3) . .
Mn2 Mn1 O12 C27 19.6(4) . .
Mn1 Mn1 O12 C27 126.6(3) 2_676 .
Nd1 Mn1 O12 C27 -144.8(3) . .
O9 Mn1 O12 Nd1 -179.74(9) 2_676 .
O11 Mn1 O12 Nd1 -6.54(10) . .
O10 Mn1 O12 Nd1 -26.0(13) . .
O10 Mn1 O12 Nd1 -92.30(10) 2_676 .
O5 Mn1 O12 Nd1 89.83(10) . .
Mn2 Mn1 O12 Nd1 164.41(4) . .
Mn1 Mn1 O12 Nd1 -88.54(12) 2_676 .
O7 Nd1 O12 C27 -158.0(3) 2_676 .
O3 Nd1 O12 C27 93.7(3) . .
O11 Nd1 O12 C27 151.1(3) . .
O2 Nd1 O12 C27 -81.4(3) . .
O14 Nd1 O12 C27 -10.6(3) . .
O13 Nd1 O12 C27 66.1(3) . .
O1 Nd1 O12 C27 -129.1(3) . .
N1 Nd1 O12 C27 -3.1(3) . .
C1 Nd1 O12 C27 -105.1(3) . .
Mn1 Nd1 O12 C27 145.3(3) . .
O7 Nd1 O12 Mn1 56.69(17) 2_676 .
O3 Nd1 O12 Mn1 -51.65(16) . .
O11 Nd1 O12 Mn1 5.77(9) . .
O2 Nd1 O12 Mn1 133.32(11) . .
O14 Nd1 O12 Mn1 -155.90(10) . .
O13 Nd1 O12 Mn1 -79.27(11) . .
O1 Nd1 O12 Mn1 85.55(10) . .
N1 Nd1 O12 Mn1 -148.44(14) . .
C1 Nd1 O12 Mn1 109.53(12) . .
C28 C29 O13 Nd1 62.2(4) . .
O7 Nd1 O13 C29 117.1(3) 2_676 .
O3 Nd1 O13 C29 90.0(3) . .
O11 Nd1 O13 C29 -175.6(3) . .
O2 Nd1 O13 C29 -49.9(3) . .
O12 Nd1 O13 C29 -110.2(3) . .
O14 Nd1 O13 C29 21.2(3) . .
O1 Nd1 O13 C29 -132.5(3) . .
N1 Nd1 O13 C29 -38.7(3) . .
C1 Nd1 O13 C29 -92.1(3) . .
Mn1 Nd1 O13 C29 -143.4(3) . .
C30 C31 O14 Nd1 -19.6(4) . .
O7 Nd1 O14 C31 157.1(3) 2_676 .
O3 Nd1 O14 C31 -133.8(3) . .
O11 Nd1 O14 C31 -123.4(3) . .
O2 Nd1 O14 C31 76.0(3) . .
O12 Nd1 O14 C31 0.7(3) . .
O13 Nd1 O14 C31 -67.2(3) . .
O1 Nd1 O14 C31 92.4(3) . .
N1 Nd1 O14 C31 -6.9(3) . .
C1 Nd1 O14 C31 86.0(3) . .
Mn1 Nd1 O14 C31 -30.2(4) . .
