#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/35/7033556.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_7033556
loop_
_publ_author_name
'Li, Xiao-Lei'
'Min, Fan-Yong'
'Wang, Chao'
'Lin, Shuang-Yan'
'Liu, Zhiliang'
'Tang, Jinkui'
_publ_section_title
;
 [Ln(III)-Mn(II)-Ln(III)] heterometallic compounds: rare linear SMMs with
 divalent manganese ions.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3430
_journal_page_last               3438
_journal_paper_doi               10.1039/c4dt03713h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C28 H20 Mn0.5 O8 Tb'
_chemical_formula_weight         670.84
_chemical_name_systematic
; 
 ? 
;
_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
_audit_update_record
;
2014-08-16 deposited with the CCDC.
2015-01-07 downloaded from the CCDC.
;
_cell_angle_alpha                95.703(3)
_cell_angle_beta                 113.502(2)
_cell_angle_gamma                93.670(3)
_cell_formula_units_Z            2
_cell_length_a                   10.0559(16)
_cell_length_b                   11.0995(18)
_cell_length_c                   12.0981(19)
_cell_measurement_reflns_used    3730
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      2.44
_cell_volume                     1224.2(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6847
_diffrn_reflns_theta_full        26.14
_diffrn_reflns_theta_max         26.14
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    3.186
_exptl_absorpt_correction_T_max  0.7846
_exptl_absorpt_correction_T_min  0.5682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             659
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.629
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0333
_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)+(0.0281P)²+0.3985P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                4042
_reflns_number_total             4801
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03713h2.cif
_cod_data_source_block           mfy130122_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi_scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033555--7033559.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C28 H20 Mn0.50 O8 Tb'
_cod_database_code               7033556
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
C1 C 0.6124(5) 0.2367(4) 0.5363(4) 0.0357(10) Uani 1 1 d .
C2 C 0.6626(5) 0.2644(5) 0.6632(4) 0.0453(12) Uani 1 1 d .
H2 H 0.6495 0.3398 0.6960 0.054 Uiso 1 1 calc R
C3 C 0.7300(6) 0.1837(5) 0.7393(5) 0.0581(14) Uani 1 1 d .
H3 H 0.7619 0.2047 0.8229 0.070 Uiso 1 1 calc R
C4 C 0.7519(6) 0.0695(6) 0.6934(5) 0.0674(17) Uani 1 1 d .
H4 H 0.8010 0.0159 0.7460 0.081 Uiso 1 1 calc R
C5 C 0.7009(6) 0.0382(5) 0.5718(5) 0.0651(16) Uani 1 1 d .
H5 H 0.7124 -0.0388 0.5412 0.078 Uiso 1 1 calc R
C6 C 0.6304(5) 0.1197(4) 0.4895(4) 0.0445(12) Uani 1 1 d .
C7 C 0.5675(6) 0.0737(5) 0.3625(5) 0.0570(14) Uani 1 1 d .
H7 H 0.5784 -0.0070 0.3421 0.068 Uiso 1 1 calc R
C8 C 0.6643(5) 0.1913(4) 0.1109(4) 0.0422(11) Uani 1 1 d .
C9 C 0.6414(6) 0.1082(5) 0.0073(4) 0.0514(13) Uani 1 1 d .
H9 H 0.5528 0.1016 -0.0602 0.062 Uiso 1 1 calc R
C10 C 0.7459(7) 0.0374(5) 0.0035(5) 0.0604(15) Uani 1 1 d .
H10 H 0.7257 -0.0185 -0.0653 0.073 Uiso 1 1 calc R
C11 C 0.8802(6) 0.0468(5) 0.0990(5) 0.0598(15) Uani 1 1 d .
H11 H 0.9507 -0.0011 0.0939 0.072 Uiso 1 1 calc R
C12 C 0.9101(6) 0.1269(5) 0.2015(5) 0.0586(15) Uani 1 1 d .
H12 H 1.0018 0.1347 0.2655 0.070 Uiso 1 1 calc R
C13 C 0.8021(5) 0.1984(4) 0.2111(4) 0.0433(11) Uani 1 1 d .
C14 C 0.8376(6) 0.2774(5) 0.3211(4) 0.0504(13) Uani 1 1 d .
H14 H 0.9344 0.2852 0.3771 0.061 Uiso 1 1 calc R
C15 C 0.6548(5) 0.6278(4) 0.3478(4) 0.0339(10) Uani 1 1 d .
C16 C 0.7618(5) 0.7088(4) 0.4424(4) 0.0450(12) Uani 1 1 d .
H16 H 0.7847 0.6970 0.5227 0.054 Uiso 1 1 calc R
C17 C 0.8333(6) 0.8056(5) 0.4181(5) 0.0583(14) Uani 1 1 d .
H17 H 0.9057 0.8565 0.4826 0.070 Uiso 1 1 calc R
C18 C 0.8012(7) 0.8296(5) 0.3013(6) 0.0646(16) Uani 1 1 d .
H18 H 0.8522 0.8947 0.2868 0.078 Uiso 1 1 calc R
C19 C 0.6929(6) 0.7561(5) 0.2075(5) 0.0562(14) Uani 1 1 d .
H19 H 0.6673 0.7734 0.1284 0.067 Uiso 1 1 calc R
C20 C 0.6195(5) 0.6546(4) 0.2278(4) 0.0407(11) Uani 1 1 d .
C21 C 0.5038(6) 0.5853(5) 0.1238(4) 0.0488(13) Uani 1 1 d .
H21 H 0.4761 0.6182 0.0512 0.059 Uiso 1 1 calc R
C22 C 0.1821(5) 0.4353(4) 0.2691(4) 0.0371(10) Uani 1 1 d .
C23 C 0.1170(5) 0.5087(4) 0.3308(4) 0.0417(11) Uani 1 1 d .
H23 H 0.1699 0.5398 0.4123 0.050 Uiso 1 1 calc R
C24 C -0.0222(5) 0.5346(5) 0.2724(5) 0.0526(13) Uani 1 1 d .
H24 H -0.0622 0.5833 0.3155 0.063 Uiso 1 1 calc R
C25 C -0.1070(6) 0.4912(5) 0.1508(5) 0.0572(14) Uani 1 1 d .
H25 H -0.2000 0.5142 0.1114 0.069 Uiso 1 1 calc R
C26 C -0.0502(5) 0.4143(5) 0.0912(5) 0.0519(13) Uani 1 1 d .
H26 H -0.1079 0.3803 0.0113 0.062 Uiso 1 1 calc R
C27 C 0.0941(5) 0.3844(4) 0.1472(4) 0.0410(11) Uani 1 1 d .
C28 C 0.1416(5) 0.3002(5) 0.0777(4) 0.0514(13) Uani 1 1 d .
H28 H 0.0739 0.2715 -0.0009 0.062 Uiso 1 1 calc R
Mn Mn 0.5000 0.5000 0.5000 0.0322(2) Uani 1 2 d S
O1 O 0.5527(3) 0.3173(3) 0.4649(2) 0.0375(7) Uani 1 1 d .
O2 O 0.5012(4) 0.1284(3) 0.2778(3) 0.0527(9) Uani 1 1 d .
O3 O 0.5641(3) 0.2587(3) 0.1124(3) 0.0469(9) Uani 1 1 d .
O4 O 0.7555(3) 0.3364(3) 0.3507(3) 0.0494(9) Uani 1 1 d .
O5 O 0.5918(3) 0.5319(3) 0.3702(2) 0.0343(7) Uani 1 1 d .
O6 O 0.4370(4) 0.4871(3) 0.1200(3) 0.0501(9) Uani 1 1 d .
O7 O 0.3193(3) 0.4164(3) 0.3233(2) 0.0386(7) Uani 1 1 d .
O8 O 0.2597(4) 0.2609(3) 0.1083(3) 0.0575(10) Uani 1 1 d .
Tb Tb 0.49609(2) 0.33753(2) 0.258203(18) 0.03521(8) 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'
Mn Mn 0.3368 0.7283 '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'
Tb Tb -0.1723 4.1537 '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
O1 C1 C2 120.7(4) . .
O1 C1 C6 121.7(4) . .
C2 C1 C6 117.6(4) . .
C3 C2 C1 121.6(5) . .
C3 C2 H2 119.2 . .
C1 C2 H2 119.2 . .
C2 C3 C4 120.9(5) . .
C2 C3 H3 119.6 . .
C4 C3 H3 119.6 . .
C5 C4 C3 119.1(5) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C4 C5 C6 121.7(5) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C1 C6 C5 119.1(4) . .
C1 C6 C7 123.3(4) . .
C5 C6 C7 117.3(5) . .
O2 C7 C6 127.4(5) . .
O2 C7 H7 116.3 . .
C6 C7 H7 116.3 . .
O3 C8 C9 120.7(4) . .
O3 C8 C13 122.5(4) . .
C9 C8 C13 116.8(4) . .
C10 C9 C8 121.6(5) . .
C10 C9 H9 119.2 . .
C8 C9 H9 119.2 . .
C9 C10 C11 121.5(5) . .
C9 C10 H10 119.3 . .
C11 C10 H10 119.3 . .
C12 C11 C10 119.8(5) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C11 C12 C13 120.5(5) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C12 C13 C14 118.1(5) . .
C12 C13 C8 119.8(4) . .
C14 C13 C8 122.1(4) . .
O4 C14 C13 127.4(5) . .
O4 C14 H14 116.3 . .
C13 C14 H14 116.3 . .
O5 C15 C16 121.1(4) . .
O5 C15 C20 122.1(4) . .
C16 C15 C20 116.8(4) . .
C17 C16 C15 120.9(5) . .
C17 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C16 C17 C18 122.1(5) . .
C16 C17 H17 118.9 . .
C18 C17 H17 118.9 . .
C19 C18 C17 118.5(5) . .
C19 C18 H18 120.7 . .
C17 C18 H18 120.7 . .
C18 C19 C20 121.2(5) . .
C18 C19 H19 119.4 . .
C20 C19 H19 119.4 . .
C19 C20 C15 120.4(5) . .
C19 C20 C21 117.1(5) . .
C15 C20 C21 122.4(5) . .
O6 C21 C20 127.2(5) . .
O6 C21 H21 116.4 . .
C20 C21 H21 116.4 . .
O7 C22 C23 120.6(4) . .
O7 C22 C27 121.9(4) . .
C23 C22 C27 117.4(4) . .
C24 C23 C22 120.7(5) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C23 C24 C25 122.5(5) . .
C23 C24 H24 118.7 . .
C25 C24 H24 118.7 . .
C26 C25 C24 118.0(5) . .
C26 C25 H25 121.0 . .
C24 C25 H25 121.0 . .
C25 C26 C27 121.8(5) . .
C25 C26 H26 119.1 . .
C27 C26 H26 119.1 . .
C26 C27 C22 119.3(4) . .
C26 C27 C28 117.3(4) . .
C22 C27 C28 123.3(4) . .
O8 C28 C27 128.2(5) . .
O8 C28 H28 115.9 . .
C27 C28 H28 115.9 . .
O5 Mn O5 180.0 2_666 .
O5 Mn O1 98.99(11) 2_666 .
O5 Mn O1 81.01(11) . .
O5 Mn O1 81.01(11) 2_666 2_666
O5 Mn O1 98.99(11) . 2_666
O1 Mn O1 180.000(1) . 2_666
O5 Mn O7 102.24(11) 2_666 .
O5 Mn O7 77.76(11) . .
O1 Mn O7 74.58(10) . .
O1 Mn O7 105.42(10) 2_666 .
O5 Mn O7 77.76(11) 2_666 2_666
O5 Mn O7 102.24(11) . 2_666
O1 Mn O7 105.42(10) . 2_666
O1 Mn O7 74.58(10) 2_666 2_666
O7 Mn O7 180.0 . 2_666
O5 Mn Tb 46.01(8) 2_666 2_666
O5 Mn Tb 133.99(8) . 2_666
O1 Mn Tb 133.49(7) . 2_666
O1 Mn Tb 46.51(7) 2_666 2_666
O7 Mn Tb 132.87(7) . 2_666
O7 Mn Tb 47.13(7) 2_666 2_666
C1 O1 Mn 132.7(3) . .
C1 O1 Tb 134.9(3) . .
Mn O1 Tb 91.81(10) . .
C7 O2 Tb 132.7(3) . .
C8 O3 Tb 134.4(3) . .
C14 O4 Tb 131.7(3) . .
C15 O5 Mn 134.5(3) . .
C15 O5 Tb 132.0(2) . .
Mn O5 Tb 92.59(11) . .
C21 O6 Tb 130.8(3) . .
C22 O7 Mn 132.6(3) . .
C22 O7 Tb 135.3(3) . .
Mn O7 Tb 89.52(10) . .
C28 O8 Tb 132.6(3) . .
O3 Tb O5 122.61(11) . .
O3 Tb O2 75.42(12) . .
O5 Tb O2 141.81(11) . .
O3 Tb O1 136.70(10) . .
O5 Tb O1 73.18(10) . .
O2 Tb O1 72.24(10) . .
O3 Tb O8 82.08(11) . .
O5 Tb O8 131.61(10) . .
O2 Tb O8 80.42(12) . .
O1 Tb O8 119.18(12) . .
O3 Tb O7 151.80(11) . .
O5 Tb O7 71.27(10) . .
O2 Tb O7 109.59(11) . .
O1 Tb O7 68.32(10) . .
O8 Tb O7 71.83(10) . .
O3 Tb O4 72.85(11) . .
O5 Tb O4 73.89(10) . .
O2 Tb O4 81.79(12) . .
O1 Tb O4 74.70(11) . .
O8 Tb O4 152.20(11) . .
O7 Tb O4 134.79(10) . .
O3 Tb O6 77.57(11) . .
O5 Tb O6 71.19(10) . .
O2 Tb O6 146.08(11) . .
O1 Tb O6 141.07(10) . .
O8 Tb O6 75.88(13) . .
O7 Tb O6 85.68(11) . .
O4 Tb O6 109.28(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.310(5) .
C1 C2 1.405(6) .
C1 C6 1.416(6) .
C2 C3 1.362(6) .
C2 H2 0.9300 .
C3 C4 1.398(7) .
C3 H3 0.9300 .
C4 C5 1.350(7) .
C4 H4 0.9300 .
C5 C6 1.418(7) .
C5 H5 0.9300 .
C6 C7 1.432(7) .
C7 O2 1.222(6) .
C7 H7 0.9300 .
C8 O3 1.297(5) .
C8 C9 1.410(6) .
C8 C13 1.422(6) .
C9 C10 1.365(7) .
C9 H9 0.9300 .
C10 C11 1.372(7) .
C10 H10 0.9300 .
C11 C12 1.367(7) .
C11 H11 0.9300 .
C12 C13 1.419(6) .
C12 H12 0.9300 .
C13 C14 1.421(6) .
C14 O4 1.224(5) .
C14 H14 0.9300 .
C15 O5 1.309(5) .
C15 C16 1.403(6) .
C15 C20 1.417(6) .
C16 C17 1.375(7) .
C16 H16 0.9300 .
C17 C18 1.376(7) .
C17 H17 0.9300 .
C18 C19 1.363(8) .
C18 H18 0.9300 .
C19 C20 1.403(7) .
C19 H19 0.9300 .
C20 C21 1.434(7) .
C21 O6 1.229(6) .
C21 H21 0.9300 .
C22 O7 1.311(5) .
C22 C23 1.410(6) .
C22 C27 1.417(6) .
C23 C24 1.358(6) .
C23 H23 0.9300 .
C24 C25 1.389(7) .
C24 H24 0.9300 .
C25 C26 1.359(7) .
C25 H25 0.9300 .
C26 C27 1.413(6) .
C26 H26 0.9300 .
C27 C28 1.425(6) .
C28 O8 1.218(5) .
C28 H28 0.9300 .
Mn O5 2.161(3) 2_666
Mn O5 2.161(3) .
Mn O1 2.172(3) .
Mn O1 2.172(3) 2_666
Mn O7 2.242(3) .
Mn O7 2.242(3) 2_666
Mn Tb 3.2652(5) 2_666
O1 Tb 2.370(3) .
O2 Tb 2.358(3) .
O3 Tb 2.253(3) .
O4 Tb 2.395(3) .
O5 Tb 2.352(3) .
O6 Tb 2.406(3) .
O7 Tb 2.393(3) .
O8 Tb 2.379(3) .
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
O1 C1 C2 C3 -177.4(5) .
C6 C1 C2 C3 1.9(7) .
C1 C2 C3 C4 0.1(8) .
C2 C3 C4 C5 -2.2(9) .
C3 C4 C5 C6 2.3(10) .
O1 C1 C6 C5 177.5(5) .
C2 C1 C6 C5 -1.8(7) .
O1 C1 C6 C7 -9.2(8) .
C2 C1 C6 C7 171.5(5) .
C4 C5 C6 C1 -0.3(9) .
C4 C5 C6 C7 -174.0(6) .
C1 C6 C7 O2 5.8(9) .
C5 C6 C7 O2 179.2(6) .
O3 C8 C9 C10 179.3(5) .
C13 C8 C9 C10 0.5(8) .
C8 C9 C10 C11 -2.3(9) .
C9 C10 C11 C12 1.3(9) .
C10 C11 C12 C13 1.5(9) .
C11 C12 C13 C14 178.1(5) .
C11 C12 C13 C8 -3.3(8) .
O3 C8 C13 C12 -176.6(5) .
C9 C8 C13 C12 2.2(7) .
O3 C8 C13 C14 2.0(8) .
C9 C8 C13 C14 -179.2(5) .
C12 C13 C14 O4 -172.3(5) .
C8 C13 C14 O4 9.2(9) .
O5 C15 C16 C17 176.4(4) .
C20 C15 C16 C17 -3.3(6) .
C15 C16 C17 C18 1.9(8) .
C16 C17 C18 C19 1.3(8) .
C17 C18 C19 C20 -2.8(8) .
C18 C19 C20 C15 1.2(7) .
C18 C19 C20 C21 177.8(5) .
O5 C15 C20 C19 -177.9(4) .
C16 C15 C20 C19 1.8(6) .
O5 C15 C20 C21 5.7(6) .
C16 C15 C20 C21 -174.6(4) .
C19 C20 C21 O6 171.7(5) .
C15 C20 C21 O6 -11.8(7) .
O7 C22 C23 C24 175.8(4) .
C27 C22 C23 C24 -3.6(7) .
C22 C23 C24 C25 0.0(8) .
C23 C24 C25 C26 3.9(9) .
C24 C25 C26 C27 -4.1(9) .
C25 C26 C27 C22 0.4(8) .
C25 C26 C27 C28 178.3(5) .
O7 C22 C27 C26 -176.0(4) .
C23 C22 C27 C26 3.4(7) .
O7 C22 C27 C28 6.3(8) .
C23 C22 C27 C28 -174.3(5) .
C26 C27 C28 O8 -179.0(5) .
C22 C27 C28 O8 -1.3(9) .
C2 C1 O1 Mn -3.2(6) .
C6 C1 O1 Mn 177.5(3) .
C2 C1 O1 Tb 164.9(3) .
C6 C1 O1 Tb -14.5(7) .
O5 Mn O1 C1 -43.4(4) 2_666
O5 Mn O1 C1 136.6(4) .
O1 Mn O1 C1 -160(100) 2_666
O7 Mn O1 C1 -143.7(4) .
O7 Mn O1 C1 36.3(4) 2_666
Tb Mn O1 C1 -8.4(4) 2_666
O5 Mn O1 Tb 144.99(10) 2_666
O5 Mn O1 Tb -35.01(10) .
O1 Mn O1 Tb 29(100) 2_666
O7 Mn O1 Tb 44.68(10) .
O7 Mn O1 Tb -135.32(10) 2_666
Tb Mn O1 Tb 180.0 2_666
C6 C7 O2 Tb 21.4(9) .
C9 C8 O3 Tb 148.4(4) .
C13 C8 O3 Tb -32.8(7) .
C13 C14 O4 Tb 7.7(9) .
C16 C15 O5 Mn 45.0(6) .
C20 C15 O5 Mn -135.3(3) .
C16 C15 O5 Tb -148.9(3) .
C20 C15 O5 Tb 30.8(6) .
O5 Mn O5 C15 22(100) 2_666
O1 Mn O5 C15 -154.9(4) .
O1 Mn O5 C15 25.1(4) 2_666
O7 Mn O5 C15 129.0(4) .
O7 Mn O5 C15 -51.0(4) 2_666
Tb Mn O5 C15 -10.3(4) 2_666
O5 Mn O5 Tb -148(100) 2_666
O1 Mn O5 Tb 35.35(10) .
O1 Mn O5 Tb -144.65(10) 2_666
O7 Mn O5 Tb -40.69(10) .
O7 Mn O5 Tb 139.31(10) 2_666
Tb Mn O5 Tb 180.0 2_666
C20 C21 O6 Tb -17.6(7) .
C23 C22 O7 Mn -9.8(7) .
C27 C22 O7 Mn 169.5(3) .
C23 C22 O7 Tb -165.7(3) .
C27 C22 O7 Tb 13.6(7) .
O5 Mn O7 C22 56.5(4) 2_666
O5 Mn O7 C22 -123.5(4) .
O1 Mn O7 C22 152.6(4) .
O1 Mn O7 C22 -27.4(4) 2_666
O7 Mn O7 C22 -142(100) 2_666
Tb Mn O7 C22 16.7(4) 2_666
O5 Mn O7 Tb -140.20(10) 2_666
O5 Mn O7 Tb 39.80(10) .
O1 Mn O7 Tb -44.11(10) .
O1 Mn O7 Tb 135.89(10) 2_666
O7 Mn O7 Tb 22(100) 2_666
Tb Mn O7 Tb 180.0 2_666
C27 C28 O8 Tb -23.6(9) .
C8 O3 Tb O5 91.4(5) .
C8 O3 Tb O2 -51.5(4) .
C8 O3 Tb O1 -8.9(5) .
C8 O3 Tb O8 -133.6(5) .
C8 O3 Tb O7 -155.9(4) .
C8 O3 Tb O4 34.2(4) .
C8 O3 Tb O6 149.2(5) .
C15 O5 Tb O3 21.5(4) .
Mn O5 Tb O3 -168.34(10) .
C15 O5 Tb O2 130.8(3) .
Mn O5 Tb O2 -59.1(2) .
C15 O5 Tb O1 156.7(4) .
Mn O5 Tb O1 -33.17(10) .
C15 O5 Tb O8 -88.9(4) .
Mn O5 Tb O8 81.21(16) .
C15 O5 Tb O7 -131.1(4) .
Mn O5 Tb O7 39.07(10) .
C15 O5 Tb O4 78.2(3) .
Mn O5 Tb O4 -111.65(12) .
C15 O5 Tb O6 -39.3(3) .
Mn O5 Tb O6 130.87(13) .
C7 O2 Tb O3 122.6(5) .
C7 O2 Tb O5 -2.2(6) .
C7 O2 Tb O1 -28.2(5) .
C7 O2 Tb O8 -153.2(5) .
C7 O2 Tb O7 -86.5(5) .
C7 O2 Tb O4 48.3(5) .
C7 O2 Tb O6 160.8(4) .
C1 O1 Tb O3 -18.3(5) .
Mn O1 Tb O3 152.97(14) .
C1 O1 Tb O5 -138.3(4) .
Mn O1 Tb O5 32.96(10) .
C1 O1 Tb O2 25.2(4) .
Mn O1 Tb O2 -163.51(14) .
C1 O1 Tb O8 93.0(4) .
Mn O1 Tb O8 -95.78(13) .
C1 O1 Tb O7 145.7(4) .
Mn O1 Tb O7 -43.10(10) .
C1 O1 Tb O4 -60.9(4) .
Mn O1 Tb O4 110.38(13) .
C1 O1 Tb O6 -162.8(4) .
Mn O1 Tb O6 8.5(2) .
C28 O8 Tb O3 -141.8(5) .
C28 O8 Tb O5 -14.6(6) .
C28 O8 Tb O2 141.7(5) .
C28 O8 Tb O1 78.4(5) .
C28 O8 Tb O7 27.3(5) .
C28 O8 Tb O4 -167.3(4) .
C28 O8 Tb O6 -62.7(5) .
C22 O7 Tb O3 0.2(5) .
Mn O7 Tb O3 -162.3(2) .
C22 O7 Tb O5 125.1(4) .
Mn O7 Tb O5 -37.38(9) .
C22 O7 Tb O2 -95.4(4) .
Mn O7 Tb O2 102.11(12) .
C22 O7 Tb O1 -156.1(4) .
Mn O7 Tb O1 41.44(10) .
C22 O7 Tb O8 -23.0(4) .
Mn O7 Tb O8 174.49(14) .
C22 O7 Tb O4 166.6(4) .
Mn O7 Tb O4 4.1(2) .
C22 O7 Tb O6 53.5(4) .
Mn O7 Tb O6 -108.97(12) .
C14 O4 Tb O3 -21.1(5) .
C14 O4 Tb O5 -153.7(5) .
C14 O4 Tb O2 56.1(5) .
C14 O4 Tb O1 129.8(5) .
C14 O4 Tb O8 5.4(6) .
C14 O4 Tb O7 165.6(4) .
C14 O4 Tb O6 -90.8(5) .
C21 O6 Tb O3 -99.0(4) .
C21 O6 Tb O5 32.1(4) .
C21 O6 Tb O2 -136.8(4) .
C21 O6 Tb O1 56.9(5) .
C21 O6 Tb O8 176.2(4) .
C21 O6 Tb O7 103.8(4) .
C21 O6 Tb O4 -32.4(4) .
