#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:54:53 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179459 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/56/4335684.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_4335684
loop_
_publ_author_name
'Guilherme P. Guedes'
'Stéphane Soriano'
'Luiza A. Mercante'
'Nivaldo L. Speziali'
'Miguel A. Novak'
'Marius Andruh'
'Maria G. F. Vaz'
_publ_contact_author_address
;
Universidade Federal Fluminense
Instituto de Quimica
Niteroi - RJ
CEP 24020-150
Brazil
;
_publ_contact_author_email       mariavaz@vm.uff.br
_publ_contact_author_fax         55(21)26292129
_publ_contact_author_name        'Maria G F Vaz'
_publ_contact_author_phone       55(21)26292354
_publ_section_title
;
 New Synthetic Route toward Heterometallic 3d-3d' and 3d-4f
 Single-Molecule Magnets. The First CoII-MnIII Heterometallic Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8309
_journal_page_last               8311
_journal_paper_doi               10.1021/ic401479d
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C74 H140 Mn2 O20 Tb2'
_chemical_formula_weight         1777.58
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2013-03-20T12:53:03-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2013-03-20 # Formatted by publCIF
;
_cell_angle_alpha                103.114(4)
_cell_angle_beta                 105.674(4)
_cell_angle_gamma                95.293(4)
_cell_formula_units_Z            1
_cell_length_a                   10.6115(5)
_cell_length_b                   14.4419(7)
_cell_length_c                   14.9207(7)
_cell_measurement_reflns_used    3676
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.52
_cell_measurement_theta_min      1.78
_cell_volume                     2115.22(19)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics
;
Ortep-3 for Windows: L. J. Farrugia, J. Appl. Cryst (1997), 30, 565
;
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Mo K\a'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0673
_diffrn_reflns_av_unetI/netI     0.1166
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15131
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.006
_exptl_absorpt_correction_T_max  0.9610
_exptl_absorpt_correction_T_min  0.9300
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_description       Plate
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.999
_refine_diff_density_min         -1.514
_refine_diff_density_rms         0.259
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         7486
_refine_ls_number_restraints     192
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.1173
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1044P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1737
_refine_ls_wR_factor_ref         0.2137
_reflns_number_gt                5007
_reflns_number_total             7486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401479d_si_003.cif
_cod_data_source_block           mntba
_cod_original_cell_volume        2115.21(17)
_cod_database_code               4335684
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
Tb1 Tb 0.12472(5) 0.69726(4) 0.14920(3) 0.0442(2) Uani 1 1 d U . .
Mn1 Mn -0.05247(13) 0.45871(10) 0.07918(9) 0.0322(3) Uani 1 1 d U . .
O5 O 0.2425(8) 0.8487(6) 0.1872(6) 0.0649(19) Uani 1 1 d U . .
O10 O -0.2243(6) 0.4005(5) 0.1099(5) 0.0432(15) Uani 1 1 d U . .
O7 O 0.3159(6) 0.6747(5) 0.2519(5) 0.0483(16) Uani 1 1 d U . .
O9 O 0.0498(6) 0.4482(5) 0.2036(4) 0.0361(14) Uani 1 1 d U . .
O4 O -0.0292(7) 0.8027(5) 0.1362(5) 0.0472(16) Uani 1 1 d U . .
O3 O 0.0342(6) 0.6673(5) -0.0179(4) 0.0392(14) Uani 1 1 d U . .
O2 O -0.0616(6) 0.5890(5) 0.1316(4) 0.0397(13) Uani 1 1 d U . .
O1 O 0.1320(5) 0.5346(5) 0.0540(4) 0.0350(13) Uani 1 1 d U . .
O6 O 0.1091(6) 0.7446(5) 0.3060(5) 0.0482(16) Uani 1 1 d U . .
C36 C -0.4694(11) 0.3846(11) 0.1317(12) 0.094(5) Uani 1 1 d U . .
H36A H -0.463 0.3732 0.0673 0.141 Uiso 1 1 calc R . .
H36B H -0.4553 0.4527 0.1605 0.141 Uiso 1 1 calc R . .
H36C H -0.556 0.3564 0.1298 0.141 Uiso 1 1 calc R . .
C35 C -0.3856(12) 0.2303(9) 0.1481(11) 0.080(4) Uani 1 1 d U . .
H35A H -0.3191 0.2038 0.1878 0.12 Uiso 1 1 calc R . .
H35B H -0.3778 0.2169 0.084 0.12 Uiso 1 1 calc R . .
H35C H -0.472 0.2017 0.1461 0.12 Uiso 1 1 calc R . .
O8 O 0.3231(8) 0.7126(8) 0.0715(8) 0.105(3) Uani 1 1 d DU . .
H8 H 0.2977 0.6683 0.0114 0.126 Uiso 1 1 calc R A 5
C2 C -0.1583(10) 0.6145(8) 0.1829(7) 0.049(2) Uani 1 1 d U . .
H2A H -0.1489 0.6833 0.2043 0.074 Uiso 1 1 calc R . .
H2B H -0.143 0.588 0.2376 0.074 Uiso 1 1 calc R . .
H2C H -0.2463 0.5888 0.1404 0.074 Uiso 1 1 calc R . .
C32 C -0.2293(9) 0.3797(7) 0.1867(8) 0.045(2) Uani 1 1 d U . .
C27 C 0.0939(13) 0.3811(12) 0.4342(10) 0.085(4) Uani 1 1 d U . .
H27A H 0.0629 0.3134 0.405 0.128 Uiso 1 1 calc R . .
H27B H 0.0254 0.4101 0.4551 0.128 Uiso 1 1 calc R . .
H27C H 0.171 0.3898 0.4887 0.128 Uiso 1 1 calc R . .
C14 C 0.3173(17) 1.1159(12) 0.2552(15) 0.126(3) Uani 1 1 d U . .
H14A H 0.2625 1.1247 0.196 0.189 Uiso 1 1 calc R . .
H14B H 0.3996 1.1598 0.2764 0.189 Uiso 1 1 calc R . .
H14C H 0.2724 1.1282 0.3035 0.189 Uiso 1 1 calc R . .
C33 C -0.3660(10) 0.3399(9) 0.1906(9) 0.061(3) Uani 1 1 d U . .
C11 C 0.3442(18) 1.0160(13) 0.2392(17) 0.126(3) Uani 1 1 d U . .
C30 C 0.0151(10) 0.4205(7) 0.2702(7) 0.042(2) Uani 1 1 d U . .
C21 C 0.3824(10) 0.7186(9) 0.3382(8) 0.055(3) Uani 1 1 d U B .
C34 C -0.3806(13) 0.3573(12) 0.2913(11) 0.089(4) Uani 1 1 d U . .
H34A H -0.3144 0.3301 0.3304 0.134 Uiso 1 1 calc R . .
H34B H -0.4673 0.3275 0.2876 0.134 Uiso 1 1 calc R . .
H34C H -0.3694 0.4254 0.3197 0.134 Uiso 1 1 calc R . .
C20 C 0.3311(10) 0.7724(9) 0.4040(7) 0.059(3) Uani 1 1 d U . .
H20 H 0.3896 0.8067 0.4635 0.071 Uiso 1 1 calc R . .
C3 C 0.0113(11) 0.7418(8) -0.0656(8) 0.052(3) Uani 1 1 d U . .
H3A H 0.0051 0.7991 -0.0207 0.078 Uiso 1 1 calc R . .
H3B H -0.07 0.7217 -0.1177 0.078 Uiso 1 1 calc R . .
H3C H 0.0835 0.7548 -0.0907 0.078 Uiso 1 1 calc R . .
C31 C -0.1186(10) 0.3894(8) 0.2648(8) 0.048(2) Uani 1 1 d U . .
H31 H -0.1329 0.3742 0.319 0.058 Uiso 1 1 calc R . .
C1 C 0.2425(8) 0.4843(7) 0.0738(7) 0.040(2) Uani 1 1 d U . .
H1A H 0.271 0.4871 0.1413 0.06 Uiso 1 1 calc R . .
H1B H 0.3141 0.5139 0.0566 0.06 Uiso 1 1 calc R . .
H1C H 0.2163 0.4183 0.0368 0.06 Uiso 1 1 calc R . .
C26 C 0.1295(10) 0.4285(9) 0.3606(8) 0.052(3) Uani 1 1 d U . .
C10 C 0.2196(14) 0.9344(9) 0.1997(9) 0.066(3) Uani 1 1 d U B .
C22 C 0.5306(13) 0.7089(14) 0.3691(11) 0.107(3) Uani 1 1 d U . .
C13 C 0.4220(17) 0.9945(12) 0.1598(14) 0.126(3) Uani 1 1 d U . .
H13A H 0.3689 1.0034 0.1001 0.189 Uiso 1 1 calc R . .
H13B H 0.4387 0.9293 0.1499 0.189 Uiso 1 1 calc R . .
H13C H 0.5047 1.0379 0.1819 0.189 Uiso 1 1 calc R . .
C29 C 0.1805(13) 0.5370(10) 0.4081(9) 0.079(4) Uani 1 1 d U . .
H29A H 0.2525 0.5451 0.4658 0.118 Uiso 1 1 calc R . .
H29B H 0.1099 0.5675 0.4241 0.118 Uiso 1 1 calc R . .
H29C H 0.2106 0.5658 0.3641 0.118 Uiso 1 1 calc R . .
C19 C 0.1960(10) 0.7788(8) 0.3872(7) 0.048(2) Uani 1 1 d U . .
C4 C -0.1596(14) 0.9259(12) 0.1374(13) 0.099(3) Uani 1 1 d U . .
C9 C 0.0931(12) 0.9596(8) 0.1861(8) 0.060(3) Uani 1 1 d U . .
H9 H 0.0869 1.0248 0.1992 0.072 Uiso 1 1 calc R B .
C12 C 0.4325(17) 1.0009(12) 0.3305(15) 0.126(3) Uani 1 1 d U . .
H12A H 0.4502 0.936 0.3187 0.189 Uiso 1 1 calc R . .
H12B H 0.3892 1.0122 0.3799 0.189 Uiso 1 1 calc R . .
H12C H 0.5146 1.045 0.3512 0.189 Uiso 1 1 calc R . .
C8 C -0.0243(12) 0.8936(8) 0.1543(8) 0.055(2) Uani 1 1 d U B .
C18 C 0.2117(14) 0.8159(10) 0.5610(8) 0.072(4) Uani 1 1 d U . .
H18A H 0.3058 0.8263 0.5714 0.109 Uiso 1 1 calc R . .
H18B H 0.1832 0.7512 0.562 0.109 Uiso 1 1 calc R . .
H18C H 0.1907 0.8606 0.6111 0.109 Uiso 1 1 calc R . .
C15 C 0.1441(12) 0.8307(10) 0.4680(8) 0.066(3) Uani 1 1 d U . .
C28 C 0.2370(12) 0.3771(12) 0.3275(9) 0.088(5) Uani 1 1 d U . .
H28A H 0.2027 0.3098 0.2992 0.132 Uiso 1 1 calc R . .
H28B H 0.3137 0.3847 0.3821 0.132 Uiso 1 1 calc R . .
H28C H 0.2614 0.4049 0.2807 0.132 Uiso 1 1 calc R . .
C16 C 0.0017(14) 0.8178(13) 0.4469(10) 0.096(5) Uani 1 1 d U . .
H16A H -0.0372 0.83 0.3856 0.144 Uiso 1 1 calc R . .
H16B H -0.0213 0.862 0.4963 0.144 Uiso 1 1 calc R . .
H16C H -0.031 0.7529 0.4449 0.144 Uiso 1 1 calc R . .
C17 C 0.1911(19) 0.9467(11) 0.4848(13) 0.115(5) Uani 1 1 d U . .
H17A H 0.2858 0.9602 0.4994 0.172 Uiso 1 1 calc R . .
H17B H 0.1649 0.9824 0.5375 0.172 Uiso 1 1 calc R . .
H17C H 0.15 0.9652 0.4273 0.172 Uiso 1 1 calc R . .
C5A C -0.1730(5) 0.9599(5) 0.2418(5) 0.099(3) Uani 0.5 1 d PU B 1
H5A1 H -0.0956 1.005 0.2826 0.148 Uiso 0.5 1 calc PR B 1
H5A2 H -0.1812 0.9051 0.2674 0.148 Uiso 0.5 1 calc PR B 1
H5A3 H -0.2503 0.9901 0.239 0.148 Uiso 0.5 1 calc PR B 1
C6A C -0.2635(5) 0.8601(5) 0.0687(5) 0.099(3) Uani 0.5 1 d PRU B 1
H6A1 H -0.2459 0.8471 0.0076 0.148 Uiso 0.5 1 calc PR B 1
H6A2 H -0.3443 0.8863 0.063 0.148 Uiso 0.5 1 calc PR B 1
H6A3 H -0.2721 0.8013 0.088 0.148 Uiso 0.5 1 calc PR B 1
C7A C -0.1560(5) 1.0257(5) 0.1215(5) 0.099(3) Uani 0.5 1 d PRU B 1
H7A1 H -0.0818 1.0684 0.1697 0.148 Uiso 0.5 1 calc PR B 1
H7A2 H -0.2367 1.0487 0.1259 0.148 Uiso 0.5 1 calc PR B 1
H7A3 H -0.1471 1.0232 0.0587 0.148 Uiso 0.5 1 calc PR B 1
C5B C -0.2181(5) 0.9129(5) 0.2226(5) 0.099(3) Uani 0.5 1 d PRU B 2
H5B1 H -0.2174 0.848 0.2282 0.148 Uiso 0.5 1 calc PR B 2
H5B2 H -0.3074 0.9259 0.2087 0.148 Uiso 0.5 1 calc PR B 2
H5B3 H -0.1644 0.957 0.2822 0.148 Uiso 0.5 1 calc PR B 2
C6B C -0.2619(5) 0.8536(5) 0.0351(5) 0.099(3) Uani 0.5 1 d PRU B 2
H6B1 H -0.2681 0.7882 0.0399 0.148 Uiso 0.5 1 calc PR B 2
H6B2 H -0.2283 0.8587 -0.0175 0.148 Uiso 0.5 1 calc PR B 2
H6B3 H -0.3482 0.8721 0.0241 0.148 Uiso 0.5 1 calc PR B 2
C7B C -0.1560(5) 1.0257(5) 0.1215(5) 0.099(3) Uani 0.5 1 d PRU B 2
H7B1 H -0.2431 1.0427 0.111 0.148 Uiso 0.5 1 calc PR B 2
H7B2 H -0.1268 1.0265 0.066 0.148 Uiso 0.5 1 calc PR B 2
H7B3 H -0.0956 1.0712 0.1773 0.148 Uiso 0.5 1 calc PR B 2
C23A C 0.5851(5) 0.7107(5) 0.2939(5) 0.107(3) Uani 0.5 1 d PRU B 3
H23A H 0.5277 0.6696 0.2339 0.161 Uiso 0.5 1 d PR B 3
H23B H 0.6698 0.6898 0.3083 0.161 Uiso 0.5 1 d PR B 3
H23C H 0.5964 0.7758 0.2887 0.161 Uiso 0.5 1 d PR B 3
C24A C 0.6050(5) 0.7636(5) 0.4570(5) 0.107(3) Uani 0.5 1 d PRU B 3
H24A H 0.5605 0.757 0.5039 0.161 Uiso 0.5 1 calc PR B 3
H24B H 0.6179 0.8299 0.4556 0.161 Uiso 0.5 1 calc PR B 3
H24C H 0.6896 0.7427 0.474 0.161 Uiso 0.5 1 calc PR B 3
C25A C 0.5334(5) 0.6015(5) 0.3495(5) 0.107(3) Uani 0.5 1 d PRU B 3
H25A H 0.4974 0.576 0.3932 0.161 Uiso 0.5 1 calc PR B 3
H25B H 0.6233 0.5904 0.3588 0.161 Uiso 0.5 1 calc PR B 3
H25C H 0.4813 0.57 0.2843 0.161 Uiso 0.5 1 calc PR B 3
C23B C 0.5851(5) 0.7107(5) 0.2939(5) 0.107(3) Uani 0.5 1 d PRU B 4
H23D H 0.5262 0.6692 0.2347 0.161 Uiso 0.5 1 calc PR B 4
H23E H 0.6692 0.6889 0.3077 0.161 Uiso 0.5 1 calc PR B 4
H23F H 0.5972 0.7754 0.2875 0.161 Uiso 0.5 1 calc PR B 4
C24B C 0.6050(5) 0.7636(5) 0.4570(5) 0.107(3) Uani 0.5 1 d PRU B 4
H24D H 0.5605 0.757 0.5039 0.161 Uiso 0.5 1 calc PR B 4
H24E H 0.6179 0.8299 0.4556 0.161 Uiso 0.5 1 calc PR B 4
H24F H 0.6896 0.7427 0.474 0.161 Uiso 0.5 1 calc PR B 4
C25B C 0.5358(5) 0.6100(5) 0.3809(5) 0.107(3) Uani 0.5 1 d PRU B 4
H25D H 0.4976 0.602 0.4307 0.161 Uiso 0.5 1 calc PR B 4
H25E H 0.6265 0.5999 0.3985 0.161 Uiso 0.5 1 calc PR B 4
H25F H 0.4868 0.564 0.3213 0.161 Uiso 0.5 1 calc PR B 4
C37A C 0.4715(5) 0.7697(5) 0.0889(5) 0.105(3) Uani 0.5 1 d PRDU B 5
H37A H 0.5019 0.7469 0.034 0.157 Uiso 0.5 1 d PR B 5
H37B H 0.5309 0.7585 0.1451 0.157 Uiso 0.5 1 d PR B 5
H37C H 0.4691 0.8375 0.0988 0.157 Uiso 0.5 1 d PR B 5
C37B C 0.4531(5) 0.6920(5) 0.1277(5) 0.105(3) Uani 0.5 1 d PRDU B 6
H37D H 0.5177 0.6991 0.0943 0.157 Uiso 0.5 1 calc PR B 6
H37E H 0.4416 0.6273 0.1339 0.157 Uiso 0.5 1 calc PR B 6
H37F H 0.4831 0.7364 0.1906 0.157 Uiso 0.5 1 calc PR B 6
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 0 '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 0.006 '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
O5 Tb1 O7 81.5(3) . .
O5 Tb1 O2 153.3(3) . .
O7 Tb1 O2 114.3(2) . .
O5 Tb1 O4 73.1(3) . .
O7 Tb1 O4 141.9(3) . .
O2 Tb1 O4 82.1(2) . .
O5 Tb1 O3 101.2(3) . .
O7 Tb1 O3 135.9(2) . .
O2 Tb1 O3 82.5(2) . .
O4 Tb1 O3 77.8(2) . .
O5 Tb1 O6 84.0(3) . .
O7 Tb1 O6 72.5(2) . .
O2 Tb1 O6 81.0(2) . .
O4 Tb1 O6 77.0(2) . .
O3 Tb1 O6 151.4(2) . .
O5 Tb1 O1 136.8(2) . .
O7 Tb1 O1 83.4(2) . .
O2 Tb1 O1 68.8(2) . .
O4 Tb1 O1 134.2(2) . .
O3 Tb1 O1 64.46(19) . .
O6 Tb1 O1 128.8(2) . .
O5 Tb1 O8 64.6(3) . .
O7 Tb1 O8 70.5(3) . .
O2 Tb1 O8 139.5(3) . .
O4 Tb1 O8 120.0(3) . .
O3 Tb1 O8 71.3(3) . .
O6 Tb1 O8 134.1(3) . .
O1 Tb1 O8 72.2(3) . .
O5 Tb1 Mn1 121.6(2) . 2_565
O7 Tb1 Mn1 111.61(18) . 2_565
O2 Tb1 Mn1 74.20(16) . 2_565
O4 Tb1 Mn1 105.85(17) . 2_565
O3 Tb1 Mn1 30.89(15) . 2_565
O6 Tb1 Mn1 154.21(18) . 2_565
O1 Tb1 Mn1 33.59(12) . 2_565
O8 Tb1 Mn1 67.5(2) . 2_565
O5 Tb1 Mn1 177.0(2) . .
O7 Tb1 Mn1 98.73(18) . .
O2 Tb1 Mn1 28.92(15) . .
O4 Tb1 Mn1 108.12(17) . .
O3 Tb1 Mn1 76.53(16) . .
O6 Tb1 Mn1 98.93(18) . .
O1 Tb1 Mn1 40.48(14) . .
O8 Tb1 Mn1 112.6(3) . .
Mn1 Tb1 Mn1 55.51(4) 2_565 .
O2 Mn1 O3 173.9(3) . 2_565
O2 Mn1 O9 91.2(3) . .
O3 Mn1 O9 91.9(3) 2_565 .
O2 Mn1 O1 92.9(3) . 2_565
O3 Mn1 O1 83.4(3) 2_565 2_565
O9 Mn1 O1 171.0(3) . 2_565
O2 Mn1 O10 95.5(3) . .
O3 Mn1 O10 89.9(3) 2_565 .
O9 Mn1 O10 87.1(3) . .
O1 Mn1 O10 100.5(2) 2_565 .
O2 Mn1 O1 79.6(3) . .
O3 Mn1 O1 95.1(3) 2_565 .
O9 Mn1 O1 92.2(2) . .
O1 Mn1 O1 80.7(2) 2_565 .
O10 Mn1 O1 175.0(3) . .
O2 Mn1 Tb1 136.89(19) . 2_565
O3 Mn1 Tb1 39.31(18) 2_565 2_565
O9 Mn1 Tb1 130.95(19) . 2_565
O1 Mn1 Tb1 44.09(19) 2_565 2_565
O10 Mn1 Tb1 95.47(19) . 2_565
O1 Mn1 Tb1 88.77(16) . 2_565
O2 Mn1 Tb1 36.4(2) . .
O3 Mn1 Tb1 138.6(2) 2_565 .
O9 Mn1 Tb1 86.02(19) . .
O1 Mn1 Tb1 92.49(19) 2_565 .
O10 Mn1 Tb1 131.10(19) . .
O1 Mn1 Tb1 43.89(16) . .
Tb1 Mn1 Tb1 124.49(4) 2_565 .
C10 O5 Tb1 137.7(8) . .
C32 O10 Mn1 127.4(6) . .
C21 O7 Tb1 132.8(7) . .
C30 O9 Mn1 131.6(6) . .
C8 O4 Tb1 136.1(7) . .
C3 O3 Mn1 124.0(6) . 2_565
C3 O3 Tb1 123.1(6) . .
Mn1 O3 Tb1 109.8(2) 2_565 .
C2 O2 Mn1 120.8(6) . .
C2 O2 Tb1 122.0(6) . .
Mn1 O2 Tb1 114.6(3) . .
C1 O1 Mn1 118.6(5) . 2_565
C1 O1 Mn1 111.7(5) . .
Mn1 O1 Mn1 99.3(2) 2_565 .
C1 O1 Tb1 124.4(5) . .
Mn1 O1 Tb1 102.3(2) 2_565 .
Mn1 O1 Tb1 95.6(2) . .
C19 O6 Tb1 132.2(6) . .
C37B O8 C37A 52.6(3) . .
C37B O8 Tb1 115.5(6) . .
C37A O8 Tb1 144.4(7) . .
O10 C32 C31 123.4(9) . .
O10 C32 C33 117.0(9) . .
C31 C32 C33 119.6(9) . .
C36 C33 C34 108.2(11) . .
C36 C33 C32 109.0(9) . .
C34 C33 C32 114.8(11) . .
C36 C33 C35 111.5(11) . .
C34 C33 C35 107.5(10) . .
C32 C33 C35 105.9(9) . .
C14 C11 C12 110.5(18) . .
C14 C11 C10 116.2(15) . .
C12 C11 C10 108.3(13) . .
C14 C11 C13 110.3(16) . .
C12 C11 C13 106.7(16) . .
C10 C11 C13 104.3(16) . .
O9 C30 C31 124.2(8) . .
O9 C30 C26 114.2(8) . .
C31 C30 C26 121.5(8) . .
O7 C21 C20 124.5(10) . .
O7 C21 C22 116.4(11) . .
C20 C21 C22 119.1(11) . .
C21 C20 C19 124.1(10) . .
C32 C31 C30 126.2(9) . .
C30 C26 C27 114.9(9) . .
C30 C26 C29 106.9(8) . .
C27 C26 C29 109.3(11) . .
C30 C26 C28 107.0(9) . .
C27 C26 C28 107.2(10) . .
C29 C26 C28 111.5(11) . .
O5 C10 C9 124.2(12) . .
O5 C10 C11 116.3(13) . .
C9 C10 C11 119.3(12) . .
C24B C22 C24A 0.0(5) . .
C24B C22 C23B 115.5(13) . .
C24A C22 C23B 115.5(13) . .
C24B C22 C23A 115.5(13) . .
C24A C22 C23A 115.5(13) . .
C23B C22 C23A 0.0(2) . .
C24B C22 C25B 102.0(11) . .
C24A C22 C25B 102.0(11) . .
C23B C22 C25B 104.1(11) . .
C23A C22 C25B 104.1(11) . .
C24B C22 C25A 116.3(12) . .
C24A C22 C25A 116.3(12) . .
C23B C22 C25A 88.7(10) . .
C23A C22 C25A 88.7(10) . .
C25B C22 C25A 17.2(2) . .
C24B C22 C21 116.7(12) . .
C24A C22 C21 116.7(12) . .
C23B C22 C21 110.6(11) . .
C23A C22 C21 110.6(11) . .
C25B C22 C21 106.4(12) . .
C25A C22 C21 105.5(12) . .
O6 C19 C20 123.8(10) . .
O6 C19 C15 115.2(9) . .
C20 C19 C15 121.0(9) . .
C6A C4 C7B 112.3(10) . .
C6A C4 C7A 112.3(10) . .
C7B C4 C7A 0.0(7) . .
C6A C4 C8 115.2(12) . .
C7B C4 C8 112.6(12) . .
C7A C4 C8 112.6(12) . .
C6A C4 C5A 117.1(12) . .
C7B C4 C5A 93.9(10) . .
C7A C4 C5A 93.9(10) . .
C8 C4 C5A 103.7(10) . .
C6A C4 C5B 92.0(10) . .
C7B C4 C5B 114.3(11) . .
C7A C4 C5B 114.3(11) . .
C8 C4 C5B 108.9(10) . .
C5A C4 C5B 27.0(3) . .
C6A C4 C6B 15.5(2) . .
C7B C4 C6B 104.9(9) . .
C7A C4 C6B 104.9(9) . .
C8 C4 C6B 108.4(11) . .
C5A C4 C6B 132.3(11) . .
C5B C4 C6B 107.4(10) . .
C8 C9 C10 124.5(11) . .
O4 C8 C9 123.9(11) . .
O4 C8 C4 114.3(11) . .
C9 C8 C4 121.8(11) . .
C16 C15 C18 113.2(11) . .
C16 C15 C19 115.7(11) . .
C18 C15 C19 112.6(10) . .
C16 C15 C17 105.3(13) . .
C18 C15 C17 102.1(11) . .
C19 C15 C17 106.3(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O5 2.284(8) .
Tb1 O7 2.289(6) .
Tb1 O2 2.320(7) .
Tb1 O4 2.333(6) .
Tb1 O3 2.338(6) .
Tb1 O6 2.339(7) .
Tb1 O1 2.473(6) .
Tb1 O8 2.678(9) .
Tb1 Mn1 3.4729(15) 2_565
Tb1 Mn1 3.5505(15) .
Mn1 O2 1.889(6) .
Mn1 O3 1.895(6) 2_565
Mn1 O9 1.928(5) .
Mn1 O1 1.967(5) 2_565
Mn1 O10 2.142(7) .
Mn1 O1 2.316(6) .
Mn1 Tb1 3.4728(15) 2_565
O5 C10 1.266(14) .
O10 C32 1.260(12) .
O7 C21 1.271(12) .
O9 C30 1.278(10) .
O4 C8 1.273(12) .
O3 C3 1.423(10) .
O3 Mn1 1.895(6) 2_565
O2 C2 1.463(12) .
O1 C1 1.434(10) .
O1 Mn1 1.967(5) 2_565
O6 C19 1.266(11) .
C36 C33 1.503(14) .
C35 C33 1.537(17) .
O8 C37B 1.503(10) .
O8 C37A 1.634(10) .
C32 C31 1.384(14) .
C32 C33 1.532(14) .
C27 C26 1.529(14) .
C14 C11 1.47(2) .
C33 C34 1.520(18) .
C11 C12 1.50(2) .
C11 C10 1.57(2) .
C11 C13 1.61(3) .
C30 C31 1.423(14) .
C30 C26 1.525(13) .
C21 C20 1.373(15) .
C21 C22 1.544(16) .
C20 C19 1.403(14) .
C26 C29 1.543(18) .
C26 C28 1.546(15) .
C10 C9 1.397(17) .
C22 C24B 1.350(17) .
C22 C24A 1.350(17) .
C22 C23B 1.398(18) .
C22 C23A 1.398(18) .
C22 C25B 1.48(2) .
C22 C25A 1.52(2) .
C19 C15 1.530(16) .
C4 C6A 1.386(18) .
C4 C7B 1.511(17) .
C4 C7A 1.511(17) .
C4 C8 1.524(17) .
C4 C5A 1.573(19) .
C4 C5B 1.597(19) .
C4 C6B 1.664(18) .
C9 C8 1.394(16) .
C18 C15 1.453(14) .
C15 C16 1.443(18) .
C15 C17 1.65(2) .
