#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:16:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178776 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/30/4103053.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_4103053
loop_
_publ_author_name
'Georgios Karotsis'
'Stuart Kennedy'
'Simon J. Teat'
'Christine M. Beavers'
'Drew A. Fowler'
'Juan J. Morales'
'Marco Evangelisti'
'Scott J. Dalgarno'
'Euan K. Brechin'
_publ_section_title
;
 [MnIII4LnIII4] Calix[4]arene Clusters as Enhanced Magnetic Coolers and
 Molecular Magnets
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12983
_journal_page_last               12990
_journal_paper_doi               10.1021/ja104848m
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C135 H155 Mn4 N9 O43 Tb4'
_chemical_formula_weight         3447.12
_chemical_name_common            Tb4Mn4
_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
_cell_angle_alpha                102.46(4)
_cell_angle_beta                 104.83(4)
_cell_angle_gamma                96.28(4)
_cell_formula_units_Z            2
_cell_length_a                   17.87(5)
_cell_length_b                   19.62(5)
_cell_length_c                   23.80(7)
_cell_measurement_reflns_used    8133
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.25
_cell_measurement_theta_min      2.45
_cell_volume                     7756(4)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'Apex II'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'XSeed (Barbour, 2001)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker Nonius X8 Apex II CCD Diffractometer'
_diffrn_measurement_method       'φ and 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  0.0857
_diffrn_reflns_av_sigmaI/netI    0.0746
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            143013
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    2.190
_exptl_absorpt_correction_T_max  0.5792
_exptl_absorpt_correction_T_min  0.4746
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker-SADABS
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.255
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1841
_refine_ls_number_reflns         21725
_refine_ls_number_restraints     214
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0866P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1290
_refine_ls_wR_factor_ref         0.1413
_reflns_number_gt                14442
_reflns_number_total             21725
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja104848m_si_001.cif
_cod_data_source_block           Tb4Mn4
_cod_original_cell_volume        7754(37)
_cod_database_code               4103053
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 0.65583(2) 0.51974(2) 0.489853(17) 0.02804(12) Uani 1 1 d . . .
Mn1 Mn 0.75635(7) 0.52901(7) 0.64168(5) 0.0306(3) Uani 1 1 d . B .
O1 O 0.9317(4) 1.0388(3) 0.8174(2) 0.0459(16) Uani 1 1 d . . .
N1 N 0.9593(5) 0.9692(4) 0.6037(3) 0.059(2) Uani 1 1 d . . .
C1 C 1.0113(6) 1.1172(5) 0.7838(4) 0.047(3) Uani 1 1 d . . .
Tb2 Tb 1.08379(2) 0.94329(2) 0.917994(18) 0.03600(13) Uani 1 1 d . . .
Mn2 Mn 1.16097(7) 0.81591(7) 0.99294(6) 0.0375(3) Uani 1 1 d . . .
O2 O 0.8276(3) 0.9180(3) 0.7535(2) 0.0429(15) Uani 1 1 d . . .
N2 N 1.3948(5) 0.7414(5) 1.0210(2) 0.088(3) Uani 1 1 d DU . .
C2 C 1.0151(7) 1.1569(5) 0.7423(4) 0.058(3) Uani 1 1 d . . .
H2 H 1.0648 1.1801 0.7426 0.069 Uiso 1 1 calc R . .
Tb3 Tb 0.55162(2) 0.45441(2) 0.600556(17) 0.02935(12) Uani 1 1 d . . .
Mn3 Mn 0.62956(7) 0.64156(7) 0.39634(5) 0.0319(3) Uani 1 1 d . . .
O3 O 0.9467(3) 0.8411(3) 0.7538(2) 0.0384(14) Uani 1 1 d . . .
N3 N 1.3044(6) 1.0861(6) 0.9148(4) 0.101(3) Uani 1 1 d DU . .
C3 C 0.9478(7) 1.1633(5) 0.7003(5) 0.057(3) Uani 1 1 d . . .
H3 H 0.9521 1.1914 0.6730 0.069 Uiso 1 1 calc R . .
Tb4 Tb 0.90918(2) 1.05035(2) 0.913435(18) 0.03582(13) Uani 1 1 d . . .
Mn4 Mn 0.93980(8) 0.93875(7) 0.78185(6) 0.0397(3) Uani 1 1 d . . .
O4 O 1.0545(3) 0.9596(3) 0.8175(2) 0.0421(15) Uani 1 1 d . . .
N4 N 1.0954(5) 1.0724(6) 1.0059(4) 0.067(3) Uani 1 1 d . . .
C4 C 0.8750(7) 1.1295(5) 0.6977(4) 0.056(3) Uani 1 1 d . . .
H4 H 0.8293 1.1331 0.6682 0.068 Uiso 1 1 calc R . .
O5 O 1.1973(3) 0.8894(3) 1.0700(2) 0.0397(15) Uani 1 1 d . . .
N5 N 0.9714(4) 0.4456(4) 0.7267(3) 0.0452(17) Uani 1 1 d DU . .
C5 C 0.8689(6) 1.0887(5) 0.7400(4) 0.049(3) Uani 1 1 d . . .
O6 O 1.1917(3) 0.8845(3) 0.9499(2) 0.0406(15) Uani 1 1 d . . .
N6 N 0.7241(5) 0.6622(4) 0.2401(3) 0.059(2) Uani 1 1 d D . .
C6 C 0.9368(6) 1.0826(5) 0.7813(4) 0.041(2) Uani 1 1 d . . .
O7 O 1.1166(3) 0.7462(3) 0.9172(3) 0.0437(15) Uani 1 1 d . . .
N7 N 0.7155(4) 0.3245(4) 0.3747(3) 0.046(2) Uani 1 1 d . . .
C7 C 0.7874(6) 1.0506(5) 0.7343(4) 0.051(3) Uani 1 1 d . . .
H7A H 0.7872 1.0411 0.7734 0.061 Uiso 1 1 calc R . .
H7B H 0.7492 1.0824 0.7253 0.061 Uiso 1 1 calc R . .
O8 O 1.1241(3) 0.7511(3) 1.0345(2) 0.0372(14) Uani 1 1 d . . .
N8 N 0.5209(4) 0.4101(5) 0.4501(4) 0.057(2) Uani 1 1 d . B .
C8 C 0.7603(6) 0.9812(5) 0.6863(4) 0.050(3) Uani 1 1 d . . .
O9 O 0.9546(4) 0.9660(3) 0.6977(3) 0.0523(17) Uani 1 1 d . . .
C9 C 0.7131(7) 0.9783(6) 0.6293(4) 0.066(3) Uani 1 1 d . . .
H9 H 0.6949 1.0200 0.6214 0.079 Uiso 1 1 calc R . .
O10 O 1.2809(4) 0.7865(4) 1.0084(2) 0.0597(18) Uani 1 1 d DU . .
C10 C 0.6920(7) 0.9171(6) 0.5842(4) 0.073(4) Uani 1 1 d . . .
H10 H 0.6593 0.9168 0.5457 0.087 Uiso 1 1 calc R . .
O11 O 1.1939(4) 1.0208(4) 0.9204(3) 0.0554(17) Uani 1 1 d U . .
C11 C 0.7173(6) 0.8568(6) 0.5941(4) 0.057(3) Uani 1 1 d . . .
H11 H 0.7024 0.8149 0.5622 0.069 Uiso 1 1 calc R . .
O12 O 0.9471(3) 0.9389(3) 0.8774(2) 0.0351(14) Uani 1 1 d . . .
N12 N 1.0277(5) 0.3600(5) 0.8889(4) 0.070(2) Uani 1 1 d DU . .
C12 C 0.7651(5) 0.8553(5) 0.6505(4) 0.044(2) Uani 1 1 d . . .
O13 O 0.7895(3) 0.9732(3) 0.8503(2) 0.0429(15) Uani 1 1 d . . .
C13 C 0.7840(5) 0.9186(5) 0.6975(4) 0.043(2) Uani 1 1 d . . .
O14 O 0.9543(3) 1.1681(3) 0.9074(3) 0.0428(15) Uani 1 1 d . . .
C14 C 0.8016(5) 0.7908(5) 0.6611(4) 0.044(2) Uani 1 1 d . . .
H14A H 0.7659 0.7472 0.6344 0.053 Uiso 1 1 calc R . .
H14B H 0.8076 0.7886 0.7032 0.053 Uiso 1 1 calc R . .
O15 O 1.0317(3) 0.8256(3) 0.8593(3) 0.0425(15) Uani 1 1 d . . .
C15 C 0.8822(6) 0.7934(5) 0.6492(4) 0.045(2) Uani 1 1 d . . .
O16 O 1.0478(3) 1.0588(3) 0.9504(2) 0.0371(14) Uani 1 1 d . . .
C16 C 0.8884(6) 0.7750(5) 0.5906(4) 0.042(2) Uani 1 1 d . . .
H16 H 0.8418 0.7589 0.5579 0.050 Uiso 1 1 calc R . .
O17 O 1.1194(3) 1.0171(3) 1.0198(2) 0.0345(14) Uani 1 1 d . . .
C17 C 0.9616(6) 0.7796(5) 0.5789(4) 0.045(2) Uani 1 1 d . . .
H17 H 0.9648 0.7666 0.5388 0.054 Uiso 1 1 calc R . .
O18 O 1.1169(4) 1.1347(3) 1.0397(3) 0.0434(16) Uani 1 1 d . . .
C18 C 1.0285(6) 0.8032(5) 0.6263(4) 0.048(3) Uani 1 1 d . . .
H18 H 1.0782 0.8062 0.6186 0.058 Uiso 1 1 calc R . .
O19 O 1.0604(3) 0.8757(3) 0.9853(2) 0.0396(15) Uani 1 1 d . . .
C19 C 1.0256(5) 0.8231(4) 0.6863(4) 0.040(2) Uani 1 1 d . . .
O20 O 0.7438(3) 0.5704(3) 0.7186(2) 0.0316(13) Uani 1 1 d . . .
C20 C 0.9514(5) 0.8194(5) 0.6968(4) 0.040(2) Uani 1 1 d . . .
O21 O 0.8178(3) 0.6163(3) 0.6423(2) 0.0340(14) Uani 1 1 d . . .
C21 C 1.1004(5) 0.8501(5) 0.7368(4) 0.044(2) Uani 1 1 d . . .
H21A H 1.1414 0.8234 0.7272 0.053 Uiso 1 1 calc R . .
H21B H 1.0913 0.8404 0.7738 0.053 Uiso 1 1 calc R . .
O22 O 0.7608(3) 0.4889(3) 0.5601(2) 0.0299(13) Uani 1 1 d . . .
C22 C 1.1310(6) 0.9286(5) 0.7490(4) 0.049(3) Uani 1 1 d . . .
O23 O 0.6853(3) 0.4421(3) 0.6372(2) 0.0350(14) Uani 1 1 d . . .
C23 C 1.1892(6) 0.9523(6) 0.7248(4) 0.057(3) Uani 1 1 d . . .
H23 H 1.2097 0.9186 0.7005 0.068 Uiso 1 1 calc R . .
O24 O 0.5759(3) 0.7204(3) 0.3890(2) 0.0361(14) Uani 1 1 d . . .
C24 C 1.2176(7) 1.0232(6) 0.7352(5) 0.073(4) Uani 1 1 d . . .
H24 H 1.2597 1.0377 0.7203 0.088 Uiso 1 1 calc R . .
O25 O 0.5333(3) 0.5778(3) 0.3425(2) 0.0365(14) Uani 1 1 d . . .
C25 C 1.1853(6) 1.0736(6) 0.7671(5) 0.065(3) Uani 1 1 d . . .
H25 H 1.2022 1.1226 0.7719 0.078 Uiso 1 1 calc R . .
O26 O 0.6822(3) 0.5606(3) 0.4080(2) 0.0299(13) Uani 1 1 d . . .
C26 C 1.1274(6) 1.0512(5) 0.7924(4) 0.049(3) Uani 1 1 d . . .
O27 O 0.7201(3) 0.7041(3) 0.4541(2) 0.0313(13) Uani 1 1 d . . .
C27 C 1.1045(5) 0.9790(5) 0.7863(4) 0.047(3) Uani 1 1 d . . .
O28 O 0.8625(3) 0.4837(3) 0.6807(2) 0.0404(14) Uani 1 1 d U . .
C28 C 1.0871(6) 1.1073(5) 0.8238(4) 0.050(3) Uani 1 1 d . . .
H28A H 1.0765 1.0932 0.8590 0.060 Uiso 1 1 calc R . .
H28B H 1.1237 1.1532 0.8390 0.060 Uiso 1 1 calc R . .
O29 O 0.6763(3) 0.6514(3) 0.3183(2) 0.0443(14) Uani 1 1 d U . .
C29 C 1.2941(6) 0.8581(6) 1.1458(4) 0.058(3) Uani 1 1 d . . .
O30 O 0.6888(3) 0.4206(3) 0.4323(2) 0.0326(13) Uani 1 1 d . . .
C30 C 1.3726(7) 0.8723(7) 1.1813(6) 0.095(5) Uani 1 1 d . . .
H30 H 1.3882 0.8463 1.2104 0.114 Uiso 1 1 calc R . .
O31 O 0.6418(3) 0.5468(3) 0.5876(2) 0.0321(13) Uani 1 1 d . . .
C31 C 1.4293(8) 0.9245(8) 1.1751(8) 0.127(7) Uani 1 1 d . . .
H31 H 1.4816 0.9350 1.2009 0.152 Uiso 1 1 calc R . .
O32 O 0.5916(3) 0.5455(3) 0.6949(2) 0.0401(15) Uani 1 1 d . . .
C32 C 1.4084(6) 0.9581(8) 1.1329(6) 0.097(5) Uani 1 1 d . . .
H32 H 1.4479 0.9910 1.1279 0.116 Uiso 1 1 calc R . .
O33 O 0.5537(3) 0.3293(3) 0.5880(2) 0.0357(14) Uani 1 1 d . . .
C33 C 1.3314(6) 0.9486(5) 1.0944(5) 0.056(3) Uani 1 1 d . . .
O34 O 0.7336(3) 0.6330(3) 0.5395(2) 0.0325(13) Uani 1 1 d . . .
C34 C 1.2735(5) 0.9003(5) 1.1052(4) 0.050(3) Uani 1 1 d . . .
O35 O 0.5282(3) 0.4598(3) 0.4220(2) 0.0246(12) Uani 1 1 d . . .
C35 C 1.3139(5) 0.9862(6) 1.0450(4) 0.053(3) Uani 1 1 d . . .
H35A H 1.3489 1.0329 1.0578 0.063 Uiso 1 1 calc R . .
H35B H 1.2589 0.9943 1.0368 0.063 Uiso 1 1 calc R . .
O36 O 0.5705(3) 0.4224(3) 0.5031(2) 0.0331(13) Uani 1 1 d . . .
C36 C 1.3265(6) 0.9409(6) 0.9870(5) 0.060(3) Uani 1 1 d . . .
O37 O 0.4721(3) 0.3523(3) 0.4255(2) 0.0379(14) Uani 1 1 d . . .
C37 C 1.4006(7) 0.9510(8) 0.9795(7) 0.108(6) Uani 1 1 d . . .
H37 H 1.4406 0.9866 1.0083 0.130 Uiso 1 1 calc R . .
O38 O 0.5768(3) 0.6043(3) 0.4627(2) 0.0317(13) Uani 1 1 d . . .
C38 C 1.4175(8) 0.9108(10) 0.9315(8) 0.148(8) Uani 1 1 d . . .
H38 H 1.4690 0.9183 0.9272 0.177 Uiso 1 1 calc R . .
C39 C 1.3586(8) 0.8583(8) 0.8883(6) 0.109(6) Uani 1 1 d . . .
H39 H 1.3706 0.8293 0.8554 0.130 Uiso 1 1 calc R . .
C40 C 1.2797(6) 0.8485(6) 0.8938(5) 0.066(3) Uani 1 1 d . . .
C41 C 1.2662(5) 0.8917(6) 0.9435(5) 0.054(3) Uani 1 1 d . . .
C42 C 1.2197(5) 0.7890(5) 0.8496(5) 0.055(3) Uani 1 1 d . . .
H42A H 1.2317 0.7816 0.8105 0.066 Uiso 1 1 calc R . .
H42B H 1.1676 0.8039 0.8436 0.066 Uiso 1 1 calc R . .
C43 C 1.2134(5) 0.7188(5) 0.8659(4) 0.042(2) Uani 1 1 d . . .
C44 C 1.2627(6) 0.6709(6) 0.8483(5) 0.062(3) Uani 1 1 d . . .
H44 H 1.2983 0.6834 0.8271 0.075 Uiso 1 1 calc R . .
C45 C 1.2582(7) 0.6057(7) 0.8627(5) 0.072(4) Uani 1 1 d . . .
H45 H 1.2913 0.5738 0.8516 0.087 Uiso 1 1 calc R . .
C46 C 1.2045(6) 0.5867(6) 0.8936(4) 0.057(3) Uani 1 1 d . . .
H46 H 1.1994 0.5409 0.9010 0.068 Uiso 1 1 calc R . .
C47 C 1.1590(5) 0.6347(5) 0.9132(4) 0.045(2) Uani 1 1 d . . .
C48 C 1.1623(5) 0.6989(5) 0.8977(4) 0.040(2) Uani 1 1 d . . .
C49 C 1.1131(5) 0.6161(5) 0.9547(4) 0.046(2) Uani 1 1 d . . .
H49A H 1.0672 0.6406 0.9514 0.055 Uiso 1 1 calc R . .
H49B H 1.0938 0.5644 0.9435 0.055 Uiso 1 1 calc R . .
C50 C 1.1663(5) 0.6389(5) 1.0179(4) 0.039(2) Uani 1 1 d . . .
C51 C 1.2171(6) 0.5954(6) 1.0402(4) 0.048(3) Uani 1 1 d . . .
H51 H 1.2127 0.5486 1.0167 0.058 Uiso 1 1 calc R . .
O52 O 0.7333(5) 0.8504(4) 0.8792(4) 0.056(2) Uani 0.75 1 d PU A 1
C52 C 1.2733(6) 0.6184(6) 1.0951(5) 0.054(3) Uani 1 1 d . . .
H52 H 1.3087 0.5887 1.1088 0.065 Uiso 1 1 calc R . .
O53 O 0.8908(4) 0.7725(3) 1.0324(3) 0.0591(19) Uani 1 1 d U . .
H53 H 0.8977 0.8084 1.0193 0.071 Uiso 1 1 calc R . .
C53 C 1.2772(6) 0.6877(6) 1.1310(4) 0.051(3) Uani 1 1 d . . .
H13 H 1.3158 0.7036 1.1690 0.061 Uiso 1 1 calc R . .
O54 O 0.4380(4) 0.3169(5) 0.2983(4) 0.095(3) Uani 1 1 d U . .
H54 H 0.4745 0.2940 0.3071 0.113 Uiso 1 1 calc R . .
C54 C 1.2280(5) 0.7316(5) 1.1128(4) 0.038(2) Uani 1 1 d . . .
O55 O 0.5325(5) 0.2451(4) 0.4735(3) 0.076(2) Uani 1 1 d . . .
C55 C 1.1722(5) 0.7081(5) 1.0555(4) 0.041(2) Uani 1 1 d . . .
C56 C 1.2344(5) 0.8049(5) 1.1532(4) 0.051(3) Uani 1 1 d . . .
H56A H 1.1826 0.8203 1.1437 0.061 Uiso 1 1 calc R . .
H56B H 1.2484 0.8024 1.1956 0.061 Uiso 1 1 calc R . .
C57 C 0.9287(8) 0.9544(6) 0.6435(5) 0.072(3) Uani 1 1 d . . .
H57 H 0.8760 0.9298 0.6278 0.086 Uiso 1 1 calc R . .
O58 O 1.1596(7) 0.4041(7) 0.9218(5) 0.147(4) Uani 1 1 d DU . .
C58 C 0.9213(9) 0.9434(7) 0.5382(5) 0.104(5) Uani 1 1 d . . .
H58A H 0.8651 0.9262 0.5308 0.156 Uiso 1 1 calc R . .
H58B H 0.9457 0.9047 0.5214 0.156 Uiso 1 1 calc R . .
H58C H 0.9277 0.9823 0.5190 0.156 Uiso 1 1 calc R . .
C59 C 1.0432(8) 1.0000(7) 0.6200(7) 0.107(5) Uani 1 1 d . . .
H59A H 1.0651 1.0129 0.6638 0.161 Uiso 1 1 calc R . .
H59B H 1.0490 1.0424 0.6049 0.161 Uiso 1 1 calc R . .
H59C H 1.0713 0.9652 0.6021 0.161 Uiso 1 1 calc R . .
C60 C 1.3206(6) 0.7443(7) 1.0085(3) 0.078(3) Uani 1 1 d DU . .
H60 H 1.2900 0.6980 0.9956 0.094 Uiso 1 1 calc R . .
C61 C 1.4468(10) 0.8041(9) 1.0406(8) 0.189(8) Uani 1 1 d DU . .
H61A H 1.4658 0.8134 1.0073 0.283 Uiso 1 1 calc R . .
H61B H 1.4914 0.8011 1.0734 0.283 Uiso 1 1 calc R . .
H61C H 1.4205 0.8427 1.0549 0.283 Uiso 1 1 calc R . .
C62 C 1.4307(9) 0.6790(8) 1.0170(6) 0.149(6) Uani 1 1 d DU . .
H62A H 1.3915 0.6378 1.0127 0.224 Uiso 1 1 calc R . .
H62B H 1.4741 0.6852 1.0535 0.224 Uiso 1 1 calc R . .
H62C H 1.4510 0.6717 0.9820 0.224 Uiso 1 1 calc R . .
C63 C 1.2490(7) 1.0283(7) 0.8999(5) 0.079(3) Uani 1 1 d U . .
H63 H 1.2532 0.9891 0.8703 0.095 Uiso 1 1 calc R . .
C64 C 1.3013(10) 1.1470(8) 0.9617(7) 0.148(6) Uani 1 1 d DU . .
H64A H 1.3052 1.1900 0.9472 0.222 Uiso 1 1 calc R . .
H64B H 1.3452 1.1523 0.9977 0.222 Uiso 1 1 calc R . .
H64C H 1.2515 1.1394 0.9714 0.222 Uiso 1 1 calc R . .
C65 C 1.3681(8) 1.0844(10) 0.8860(7) 0.145(6) Uani 1 1 d DU . .
H65A H 1.4181 1.0868 0.9160 0.218 Uiso 1 1 calc R . .
H65B H 1.3716 1.1250 0.8683 0.218 Uiso 1 1 calc R . .
H65C H 1.3571 1.0403 0.8543 0.218 Uiso 1 1 calc R . .
C66 C 0.7838(5) 0.5087(5) 0.7946(4) 0.042(2) Uani 1 1 d . . .
C67 C 0.8357(5) 0.5091(6) 0.8494(5) 0.059(3) Uani 1 1 d . . .
H67 H 0.8278 0.4707 0.8668 0.071 Uiso 1 1 calc R . .
C68 C 0.8974(6) 0.5631(6) 0.8789(4) 0.065(3) Uani 1 1 d . . .
H68 H 0.9320 0.5622 0.9163 0.078 Uiso 1 1 calc R . .
C69 C 0.9093(5) 0.6197(5) 0.8536(4) 0.045(2) Uani 1 1 d . . .
H69 H 0.9527 0.6570 0.8739 0.054 Uiso 1 1 calc R . .
C70 C 0.8594(5) 0.6226(5) 0.7999(4) 0.043(2) Uani 1 1 d . . .
C71 C 0.7942(4) 0.5669(5) 0.7705(3) 0.032(2) Uani 1 1 d . . .
C72 C 0.8749(5) 0.6810(5) 0.7693(4) 0.038(2) Uani 1 1 d . . .
H72A H 0.8997 0.7260 0.8000 0.046 Uiso 1 1 calc R . .
H72B H 0.8246 0.6882 0.7439 0.046 Uiso 1 1 calc R . .
C73 C 0.9299(4) 0.6605(4) 0.7299(3) 0.031(2) Uani 1 1 d . . .
C74 C 1.0098(5) 0.6697(5) 0.7540(4) 0.038(2) Uani 1 1 d . . .
H74 H 1.0326 0.6916 0.7956 0.046 Uiso 1 1 calc R . .
C75 C 1.0578(5) 0.6478(5) 0.7189(4) 0.041(2) Uani 1 1 d . . .
H75 H 1.1132 0.6565 0.7363 0.049 Uiso 1 1 calc R . .
C76 C 1.0263(5) 0.6138(5) 0.6596(4) 0.038(2) Uani 1 1 d . . .
H76 H 1.0601 0.5975 0.6366 0.045 Uiso 1 1 calc R . .
C77 C 0.9452(4) 0.6026(4) 0.6319(3) 0.0285(19) Uani 1 1 d . . .
C78 C 0.8980(4) 0.6262(5) 0.6682(4) 0.034(2) Uani 1 1 d . . .
C79 C 0.9105(4) 0.5638(4) 0.5662(3) 0.030(2) Uani 1 1 d . . .
H79A H 0.9479 0.5769 0.5444 0.037 Uiso 1 1 calc R . .
H79B H 0.8617 0.5817 0.5504 0.037 Uiso 1 1 calc R . .
C80 C 0.8907(5) 0.4830(5) 0.5504(4) 0.034(2) Uani 1 1 d . . .
C81 C 0.9465(5) 0.4415(5) 0.5379(4) 0.040(2) Uani 1 1 d . . .
H81 H 0.9972 0.4635 0.5393 0.048 Uiso 1 1 calc R . .
C82 C 0.9273(5) 0.3678(5) 0.5237(4) 0.043(2) Uani 1 1 d . . .
H82 H 0.9635 0.3399 0.5118 0.051 Uiso 1 1 calc R . .
C83 C 0.8560(5) 0.3345(5) 0.5264(4) 0.046(2) Uani 1 1 d . . .
H83 H 0.8449 0.2842 0.5179 0.055 Uiso 1 1 calc R . .
C84 C 0.8008(5) 0.3745(5) 0.5415(4) 0.034(2) Uani 1 1 d . . .
C85 C 0.8174(4) 0.4494(5) 0.5508(3) 0.032(2) Uani 1 1 d . . .
C86 C 0.7266(5) 0.3390(5) 0.5504(4) 0.041(2) Uani 1 1 d . . .
H86A H 0.6832 0.3648 0.5377 0.049 Uiso 1 1 calc R . .
H86B H 0.7116 0.2899 0.5248 0.049 Uiso 1 1 calc R . .
C87 C 0.7378(5) 0.3379(5) 0.6147(4) 0.035(2) Uani 1 1 d . . .
C88 C 0.7728(6) 0.2831(6) 0.6358(5) 0.058(3) Uani 1 1 d . . .
H88 H 0.7845 0.2461 0.6081 0.070 Uiso 1 1 calc R . .
C89 C 0.7902(6) 0.2820(6) 0.6961(5) 0.069(3) Uani 1 1 d . . .
H89 H 0.8150 0.2457 0.7097 0.083 Uiso 1 1 calc R . .
C90 C 0.7703(6) 0.3360(6) 0.7366(5) 0.060(3) Uani 1 1 d . . .
H90 H 0.7817 0.3354 0.7778 0.072 Uiso 1 1 calc R . .
C91 C 0.7344(5) 0.3898(5) 0.7180(4) 0.043(2) Uani 1 1 d . . .
C92 C 0.7190(5) 0.3872(5) 0.6554(4) 0.034(2) Uani 1 1 d . . .
C93 C 0.7168(5) 0.4470(5) 0.7630(4) 0.042(2) Uani 1 1 d . . .
H93A H 0.7019 0.4259 0.7937 0.051 Uiso 1 1 calc R . .
H93B H 0.6707 0.4653 0.7424 0.051 Uiso 1 1 calc R . .
C94 C 0.6374(6) 0.8191(5) 0.3653(5) 0.050(3) Uani 1 1 d . . .
C95 C 0.6370(6) 0.8606(6) 0.3252(5) 0.061(3) Uani 1 1 d . . .
H95 H 0.6737 0.9035 0.3367 0.073 Uiso 1 1 calc R . .
C96 C 0.5836(7) 0.8401(7) 0.2685(6) 0.083(4) Uani 1 1 d . . .
H96 H 0.5840 0.8689 0.2412 0.100 Uiso 1 1 calc R . .
C97 C 0.5293(6) 0.7773(7) 0.2513(5) 0.070(3) Uani 1 1 d . . .
H97 H 0.4948 0.7624 0.2116 0.084 Uiso 1 1 calc R . .
C98 C 0.5249(5) 0.7366(6) 0.2914(5) 0.055(3) Uani 1 1 d . . .
C99 C 0.5790(5) 0.7581(5) 0.3483(4) 0.046(3) Uani 1 1 d . . .
C100 C 0.4645(5) 0.6679(6) 0.2709(4) 0.055(3) Uani 1 1 d . . .
H10A H 0.4460 0.6611 0.3054 0.066 Uiso 1 1 calc R . .
H10B H 0.4186 0.6734 0.2395 0.066 Uiso 1 1 calc R . .
C101 C 0.4943(5) 0.6023(6) 0.2463(4) 0.048(3) Uani 1 1 d . . .
C102 C 0.4905(6) 0.5807(7) 0.1849(4) 0.063(3) Uani 1 1 d . . .
H102 H 0.4685 0.6086 0.1590 0.076 Uiso 1 1 calc R . .
C103 C 0.5172(7) 0.5212(8) 0.1606(5) 0.077(4) Uani 1 1 d . . .
H103 H 0.5131 0.5084 0.1190 0.093 Uiso 1 1 calc R . .
C104 C 0.5500(6) 0.4804(7) 0.1981(4) 0.066(3) Uani 1 1 d . . .
H104 H 0.5683 0.4391 0.1818 0.079 Uiso 1 1 calc R . .
C105 C 0.5564(5) 0.4990(5) 0.2585(4) 0.043(2) Uani 1 1 d . . .
C106 C 0.5262(5) 0.5584(6) 0.2806(4) 0.048(3) Uani 1 1 d . . .
C107 C 0.5970(5) 0.4554(5) 0.2986(4) 0.046(2) Uani 1 1 d . . .
H10C H 0.5844 0.4048 0.2766 0.055 Uiso 1 1 calc R . .
H10D H 0.5776 0.4604 0.3345 0.055 Uiso 1 1 calc R . .
C108 C 0.6871(5) 0.4804(5) 0.3186(4) 0.039(2) Uani 1 1 d . . .
C109 C 0.7317(6) 0.4500(5) 0.2838(4) 0.047(3) Uani 1 1 d . . .
H109 H 0.7071 0.4113 0.2499 0.057 Uiso 1 1 calc R . .
C110 C 0.8124(5) 0.4751(5) 0.2973(4) 0.047(3) Uani 1 1 d . . .
H110 H 0.8428 0.4537 0.2733 0.056 Uiso 1 1 calc R . .
C111 C 0.8460(5) 0.5311(5) 0.3460(4) 0.040(2) Uani 1 1 d . . .
H111 H 0.9004 0.5491 0.3549 0.047 Uiso 1 1 calc R . .
C112 C 0.8044(5) 0.5632(5) 0.3831(4) 0.039(2) Uani 1 1 d . . .
C113 C 0.7229(5) 0.5336(5) 0.3703(4) 0.034(2) Uani 1 1 d . . .
C114 C 0.8438(5) 0.6286(5) 0.4366(4) 0.040(2) Uani 1 1 d . . .
H11A H 0.8199 0.6259 0.4695 0.048 Uiso 1 1 calc R . .
H11B H 0.9002 0.6260 0.4517 0.048 Uiso 1 1 calc R . .
C115 C 0.8375(5) 0.6984(5) 0.4228(4) 0.037(2) Uani 1 1 d . . .
C116 C 0.8941(5) 0.7319(5) 0.4015(4) 0.042(2) Uani 1 1 d . . .
H116 H 0.9363 0.7087 0.3952 0.051 Uiso 1 1 calc R . .
C117 C 0.8903(6) 0.7966(6) 0.3895(4) 0.053(3) Uani 1 1 d . . .
H117 H 0.9297 0.8178 0.3753 0.064 Uiso 1 1 calc R . .
C118 C 0.8285(6) 0.8317(6) 0.3981(4) 0.053(3) Uani 1 1 d . . .
H118 H 0.8261 0.8766 0.3894 0.063 Uiso 1 1 calc R . .
C119 C 0.7694(5) 0.8009(5) 0.4196(4) 0.039(2) Uani 1 1 d . . .
C120 C 0.7746(5) 0.7346(5) 0.4316(4) 0.040(2) Uani 1 1 d . . .
C121 C 0.7012(5) 0.8372(5) 0.4254(4) 0.046(2) Uani 1 1 d . . .
H12A H 0.7194 0.8891 0.4392 0.056 Uiso 1 1 calc R . .
H12B H 0.6793 0.8220 0.4559 0.056 Uiso 1 1 calc R . .
C122 C 0.9204(9) 0.4925(11) 0.7193(8) 0.035(3) Uani 0.50 1 d PU B 2
H122 H 0.9336 0.5365 0.7487 0.042 Uiso 0.50 1 calc PR B 2
C123 C 1.0404(9) 0.4679(11) 0.7805(7) 0.040(4) Uani 0.50 1 d PDU B 2
H12C H 1.0884 0.4630 0.7684 0.061 Uiso 0.50 1 calc PR B 2
H12D H 1.0358 0.4379 0.8079 0.061 Uiso 0.50 1 calc PR B 2
H12E H 1.0428 0.5175 0.8008 0.061 Uiso 0.50 1 calc PR B 2
C124 C 0.9578(11) 0.3782(9) 0.6853(8) 0.046(4) Uani 0.50 1 d PDU B 2
H12F H 0.9324 0.3821 0.6447 0.068 Uiso 0.50 1 calc PR B 2
H12G H 0.9235 0.3441 0.6963 0.068 Uiso 0.50 1 calc PR B 2
H12H H 1.0080 0.3621 0.6864 0.068 Uiso 0.50 1 calc PR B 2
C125 C 0.9079(10) 0.4459(11) 0.6816(9) 0.044(3) Uani 0.50 1 d PU B 1
H125 H 0.8992 0.4100 0.6455 0.053 Uiso 0.50 1 calc PR B 1
C126 C 0.9989(15) 0.4937(11) 0.7846(8) 0.070(6) Uani 0.50 1 d PDU B 1
H12I H 0.9982 0.5423 0.7806 0.105 Uiso 0.50 1 calc PR B 1
H12J H 1.0528 0.4889 0.8040 0.105 Uiso 0.50 1 calc PR B 1
H12K H 0.9648 0.4830 0.8090 0.105 Uiso 0.50 1 calc PR B 1
C127 C 1.0049(14) 0.3824(10) 0.7146(11) 0.067(5) Uani 0.50 1 d PDU B 1
H12L H 0.9959 0.3532 0.7416 0.101 Uiso 0.50 1 calc PR B 1
H12M H 1.0616 0.3955 0.7211 0.101 Uiso 0.50 1 calc PR B 1
H12N H 0.9801 0.3555 0.6728 0.101 Uiso 0.50 1 calc PR B 1
C128 C 0.7001(10) 0.6244(12) 0.2778(8) 0.042(3) Uani 0.50 1 d PU C 2
H128 H 0.7028 0.5754 0.2709 0.051 Uiso 0.50 1 calc PR C 2
C129 C 0.757(2) 0.6240(15) 0.1959(13) 0.123(10) Uani 0.50 1 d PDU C 2
H12O H 0.7495 0.5735 0.1950 0.185 Uiso 0.50 1 calc PR C 2
H12P H 0.8136 0.6425 0.2065 0.185 Uiso 0.50 1 calc PR C 2
H12Q H 0.7311 0.6301 0.1562 0.185 Uiso 0.50 1 calc PR C 2
C130 C 0.7162(18) 0.7331(10) 0.2438(12) 0.094(7) Uani 0.50 1 d PDU C 2
H13A H 0.7684 0.7631 0.2590 0.141 Uiso 0.50 1 calc PR C 2
H13B H 0.6849 0.7476 0.2712 0.141 Uiso 0.50 1 calc PR C 2
H13C H 0.6898 0.7383 0.2038 0.141 Uiso 0.50 1 calc PR C 2
C131 C 0.6928(13) 0.6788(15) 0.2835(9) 0.065(4) Uani 0.50 1 d PU C 1
H131 H 0.6801 0.7251 0.2879 0.078 Uiso 0.50 1 calc PR C 1
C132 C 0.7252(19) 0.7132(13) 0.2048(12) 0.106(8) Uani 0.50 1 d PDU C 1
H13D H 0.7763 0.7449 0.2196 0.159 Uiso 0.50 1 calc PR C 1
H13E H 0.6834 0.7411 0.2080 0.159 Uiso 0.50 1 calc PR C 1
H13F H 0.7165 0.6883 0.1626 0.159 Uiso 0.50 1 calc PR C 1
C133 C 0.730(2) 0.5927(11) 0.2153(15) 0.130(10) Uani 0.50 1 d PDU C 1
H13G H 0.6927 0.5599 0.2248 0.194 Uiso 0.50 1 calc PR C 1
H13H H 0.7838 0.5848 0.2320 0.194 Uiso 0.50 1 calc PR C 1
H13I H 0.7185 0.5843 0.1716 0.194 Uiso 0.50 1 calc PR C 1
C134 C 0.7340(5) 0.3888(5) 0.4096(4) 0.039(2) Uani 1 1 d . . .
H134 H 0.7862 0.4129 0.4181 0.047 Uiso 1 1 calc R . .
C135 C 0.7710(6) 0.2901(6) 0.3482(5) 0.064(3) Uani 1 1 d . . .
H1 H 0.8243 0.3172 0.3680 0.096 Uiso 1 1 calc R . .
H5 H 0.7571 0.2882 0.3052 0.096 Uiso 1 1 calc R . .
H6 H 0.7691 0.2419 0.3535 0.096 Uiso 1 1 calc R . .
C136 C 0.6363(7) 0.2838(7) 0.3596(7) 0.095(4) Uani 1 1 d . . .
H7 H 0.6017 0.3149 0.3733 0.142 Uiso 1 1 calc R . .
H8 H 0.6380 0.2449 0.3794 0.142 Uiso 1 1 calc R . .
H12 H 0.6162 0.2645 0.3160 0.142 Uiso 1 1 calc R . .
C203 C 1.1005(7) 0.3600(9) 0.8877(7) 0.107(4) Uani 1 1 d DU . .
H203 H 1.1095 0.3231 0.8583 0.128 Uiso 1 1 calc R . .
C204 C 0.9588(7) 0.3107(7) 0.8454(5) 0.085(4) Uani 1 1 d U . .
H20A H 0.9288 0.3360 0.8186 0.128 Uiso 1 1 calc R . .
H20B H 0.9253 0.2914 0.8671 0.128 Uiso 1 1 calc R . .
H20C H 0.9766 0.2718 0.8216 0.128 Uiso 1 1 calc R . .
C205 C 1.0113(9) 0.4149(8) 0.9349(6) 0.103(4) Uani 1 1 d U . .
H20D H 1.0606 0.4457 0.9602 0.155 Uiso 1 1 calc R . .
H20E H 0.9860 0.3923 0.9598 0.155 Uiso 1 1 calc R . .
H20F H 0.9762 0.4433 0.9152 0.155 Uiso 1 1 calc R . .
C54A C 0.3632(11) 0.2721(10) 0.2873(8) 0.170(7) Uani 1 1 d U . .
H54A H 0.3711 0.2338 0.3076 0.255 Uiso 1 1 calc R . .
H54B H 0.3403 0.2517 0.2440 0.255 Uiso 1 1 calc R . .
H54C H 0.3275 0.3003 0.3029 0.255 Uiso 1 1 calc R . .
C53A C 0.8920(9) 0.7125(7) 0.9899(6) 0.100(4) Uani 1 1 d U . .
H53A H 0.9454 0.7131 0.9860 0.150 Uiso 1 1 calc R . .
H53B H 0.8556 0.7118 0.9511 0.150 Uiso 1 1 calc R . .
H53C H 0.8761 0.6702 1.0025 0.150 Uiso 1 1 calc R . .
O52A O 0.7537(19) 0.7927(15) 0.8378(13) 0.076(6) Uani 0.25 1 d PU D 2
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'
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
O30 Tb1 O31 132.8(2) . .
O30 Tb1 O34 129.0(2) . .
O31 Tb1 O34 73.82(16) . .
O30 Tb1 O38 132.26(19) . .
O31 Tb1 O38 90.98(17) . .
O34 Tb1 O38 73.5(3) . .
O30 Tb1 O26 76.5(3) . .
O31 Tb1 O26 148.6(2) . .
O34 Tb1 O26 77.9(2) . .
O38 Tb1 O26 67.87(16) . .
O30 Tb1 O22 76.0(2) . .
O31 Tb1 O22 68.5(2) . .
O34 Tb1 O22 79.3(2) . .
O38 Tb1 O22 149.68(14) . .
O26 Tb1 O22 119.2(2) . .
O30 Tb1 O35 78.2(2) . .
O31 Tb1 O35 107.05(19) . .
O34 Tb1 O35 143.38(17) . .
O38 Tb1 O35 69.8(2) . .
O26 Tb1 O35 87.8(2) . .
O22 Tb1 O35 136.21(19) . .
O30 Tb1 O36 78.2(2) . .
O31 Tb1 O36 69.75(16) . .
O34 Tb1 O36 143.6(2) . .
O38 Tb1 O36 107.6(3) . .
O26 Tb1 O36 137.37(14) . .
O22 Tb1 O36 86.6(2) . .
O35 Tb1 O36 53.6(2) . .
O30 Tb1 N8 73.1(3) . .
O31 Tb1 N8 90.8(2) . .
O34 Tb1 N8 157.85(15) . .
O38 Tb1 N8 91.3(3) . .
O26 Tb1 N8 111.7(2) . .
O22 Tb1 N8 110.3(3) . .
O35 Tb1 N8 27.17(17) . .
O36 Tb1 N8 26.91(18) . .
O30 Tb1 Tb3 107.51(18) . 2_666
O31 Tb1 Tb3 99.41(19) . 2_666
O34 Tb1 Tb3 108.49(19) . 2_666
O38 Tb1 Tb3 34.98(14) . 2_666
O26 Tb1 Tb3 76.79(19) . 2_666
O22 Tb1 Tb3 163.77(12) . 2_666
O35 Tb1 Tb3 34.93(17) . 2_666
O36 Tb1 Tb3 78.8(2) . 2_666
N8 Tb1 Tb3 57.5(2) . 2_666
O30 Tb1 Tb3 107.9(2) . .
O31 Tb1 Tb3 34.91(16) . .
O34 Tb1 Tb3 108.7(2) . .
O38 Tb1 Tb3 99.44(19) . .
O26 Tb1 Tb3 163.95(12) . .
O22 Tb1 Tb3 76.7(2) . .
O35 Tb1 Tb3 78.3(2) . .
O36 Tb1 Tb3 34.92(13) . .
N8 Tb1 Tb3 57.0(2) . .
Tb3 Tb1 Tb3 87.19(19) 2_666 .
O20 Mn1 O21 91.3(3) . .
O20 Mn1 O22 175.2(2) . .
O21 Mn1 O22 89.1(2) . .
O20 Mn1 O23 89.1(3) . .
O21 Mn1 O23 175.1(2) . .
O22 Mn1 O23 90.1(2) . .
O20 Mn1 O31 96.0(3) . .
O21 Mn1 O31 96.4(3) . .
O22 Mn1 O31 79.2(2) . .
O23 Mn1 O31 78.7(3) . .
O20 Mn1 O28 93.8(3) . .
O21 Mn1 O28 93.8(3) . .
O22 Mn1 O28 90.9(2) . .
O23 Mn1 O28 91.1(3) . .
O31 Mn1 O28 165.7(2) . .
C6 O1 Mn4 113.9(6) . .
C6 O1 Tb4 135.4(6) . .
Mn4 O1 Tb4 110.7(3) . .
C57 N1 C59 120.5(8) . .
C57 N1 C58 124.0(9) . .
C59 N1 C58 114.2(8) . .
C2 C1 C6 117.7(10) . .
C2 C1 C28 118.3(9) . .
C6 C1 C28 123.7(9) . .
O11 Tb2 O12 132.4(3) . .
O11 Tb2 O15 130.2(2) . .
O12 Tb2 O15 73.6(2) . .
O11 Tb2 O19 131.9(2) . .
O12 Tb2 O19 91.3(2) . .
O15 Tb2 O19 73.4(3) . .
O11 Tb2 O6 75.9(3) . .
O12 Tb2 O6 149.8(2) . .
O15 Tb2 O6 79.0(3) . .
O19 Tb2 O6 68.6(2) . .
O11 Tb2 O4 76.3(2) . .
O12 Tb2 O4 69.07(19) . .
O15 Tb2 O4 78.5(2) . .
O19 Tb2 O4 149.5(2) . .
O6 Tb2 O4 117.8(2) . .
O11 Tb2 O17 78.4(2) . .
O12 Tb2 O17 106.3(2) . .
O15 Tb2 O17 142.6(2) . .
O19 Tb2 O17 69.2(3) . .
O6 Tb2 O17 87.8(2) . .
O4 Tb2 O17 137.5(3) . .
O11 Tb2 O16 78.0(3) . .
O12 Tb2 O16 69.4(2) . .
O15 Tb2 O16 143.0(2) . .
O19 Tb2 O16 107.2(2) . .
O6 Tb2 O16 136.8(2) . .
O4 Tb2 O16 88.1(2) . .
O17 Tb2 O16 53.3(2) . .
O11 Tb2 N4 72.4(3) . .
O12 Tb2 N4 91.2(2) . .
O15 Tb2 N4 157.4(2) . .
O19 Tb2 N4 90.7(3) . .
O6 Tb2 N4 110.5(3) . .
O4 Tb2 N4 112.0(3) . .
O17 Tb2 N4 26.5(2) . .
O16 Tb2 N4 27.5(2) . .
O11 Tb2 Tb4 107.6(3) . .
O12 Tb2 Tb4 34.73(16) . .
O15 Tb2 Tb4 108.3(2) . .
O19 Tb2 Tb4 99.27(19) . .
O6 Tb2 Tb4 163.91(14) . .
O4 Tb2 Tb4 78.08(15) . .
O17 Tb2 Tb4 77.71(18) . .
O16 Tb2 Tb4 34.72(14) . .
N4 Tb2 Tb4 57.6(2) . .
O11 Tb2 Tb4 107.15(16) . 2_777
O12 Tb2 Tb4 99.34(15) . 2_777
O15 Tb2 Tb4 108.17(18) . 2_777
O19 Tb2 Tb4 34.79(16) . 2_777
O6 Tb2 Tb4 77.13(15) . 2_777
O4 Tb2 Tb4 164.90(15) . 2_777
O17 Tb2 Tb4 34.45(18) . 2_777
O16 Tb2 Tb4 78.51(15) . 2_777
N4 Tb2 Tb4 57.0(2) . 2_777
Tb4 Tb2 Tb4 86.91(5) . 2_777
O7 Mn2 O8 90.5(3) . .
O7 Mn2 O6 89.5(3) . .
O8 Mn2 O6 176.1(2) . .
O7 Mn2 O5 175.1(2) . .
O8 Mn2 O5 88.7(3) . .
O6 Mn2 O5 91.0(3) . .
O7 Mn2 O10 94.7(3) . .
O8 Mn2 O10 94.2(3) . .
O6 Mn2 O10 89.8(3) . .
O5 Mn2 O10 90.2(2) . .
O7 Mn2 O19 96.4(3) . .
O8 Mn2 O19 97.0(3) . .
O6 Mn2 O19 79.0(3) . .
O5 Mn2 O19 78.8(3) . .
O10 Mn2 O19 164.1(2) . .
O7 Mn2 Tb4 136.1(2) . 2_777
O8 Mn2 Tb4 86.3(3) . 2_777
O6 Mn2 Tb4 90.9(3) . 2_777
O5 Mn2 Tb4 38.9(2) . 2_777
O10 Mn2 Tb4 129.16(17) . 2_777
O19 Mn2 Tb4 41.03(17) . 2_777
C13 O2 Mn4 124.9(5) . .
C60 N2 C61 117.8(10) . .
C60 N2 C62 127.5(9) . .
C61 N2 C62 114.6(11) . .
C3 C2 C1 121.5(11) . .
O23 Tb3 O35 141.74(15) . 2_666
O23 Tb3 O36 85.49(17) . .
O35 Tb3 O36 94.9(2) 2_666 .
O23 Tb3 O25 115.6(2) . 2_666
O35 Tb3 O25 87.2(2) 2_666 2_666
O36 Tb3 O25 141.60(16) . 2_666
O23 Tb3 O38 145.32(18) . 2_666
O35 Tb3 O38 70.3(3) 2_666 2_666
O36 Tb3 O38 76.7(2) . 2_666
O25 Tb3 O38 67.9(2) 2_666 2_666
O23 Tb3 O33 72.96(19) . .
O35 Tb3 O33 144.69(16) 2_666 .
O36 Tb3 O33 78.79(15) . .
O25 Tb3 O33 77.7(2) 2_666 .
O38 Tb3 O33 74.49(16) 2_666 .
O23 Tb3 O31 67.7(2) . .
O35 Tb3 O31 76.6(2) 2_666 .
O36 Tb3 O31 69.61(16) . .
O25 Tb3 O31 146.8(2) 2_666 .
O38 Tb3 O31 129.78(18) 2_666 .
O33 Tb3 O31 130.6(2) . .
O23 Tb3 O32 79.7(2) . .
O35 Tb3 O32 77.6(2) 2_666 .
O36 Tb3 O32 143.65(16) . .
O25 Tb3 O32 74.2(3) 2_666 .
O38 Tb3 O32 130.72(15) 2_666 .
O33 Tb3 O32 126.7(2) . .
O31 Tb3 O32 74.1(2) . .
O23 Tb3 Mn3 132.5(2) . 2_666
O35 Tb3 Mn3 83.0(2) 2_666 2_666
O36 Tb3 Mn3 111.14(14) . 2_666
O25 Tb3 Mn3 30.99(15) 2_666 2_666
O38 Tb3 Mn3 37.80(18) 2_666 2_666
O33 Tb3 Mn3 67.69(17) . 2_666
O31 Tb3 Mn3 159.47(13) . 2_666
O32 Tb3 Mn3 103.26(17) . 2_666
O23 Tb3 Tb1 167.88(13) . 2_666
O35 Tb3 Tb1 35.68(14) 2_666 2_666
O36 Tb3 Tb1 83.29(19) . 2_666
O25 Tb3 Tb1 76.3(2) 2_666 2_666
O38 Tb3 Tb1 34.65(18) 2_666 2_666
O33 Tb3 Tb1 109.13(14) . 2_666
O31 Tb3 Tb1 103.8(2) . 2_666
O32 Tb3 Tb1 106.92(17) . 2_666
Mn3 Tb3 Tb1 56.86(16) 2_666 2_666
O23 Tb3 Tb1 75.3(2) . .
O35 Tb3 Tb1 82.81(18) 2_666 .
O36 Tb3 Tb1 35.77(17) . .
O25 Tb3 Tb1 169.01(13) 2_666 .
O38 Tb3 Tb1 104.1(2) 2_666 .
O33 Tb3 Tb1 108.03(15) . .
O31 Tb3 Tb1 33.92(14) . .
O32 Tb3 Tb1 108.0(2) . .
Mn3 Tb3 Tb1 141.84(7) 2_666 .
Tb1 Tb3 Tb1 92.81(19) 2_666 .
O24 Mn3 O27 90.7(3) . .
O24 Mn3 O26 176.5(2) . .
O27 Mn3 O26 89.1(3) . .
O24 Mn3 O25 88.7(3) . .
O27 Mn3 O25 175.5(2) . .
O26 Mn3 O25 91.3(3) . .
O24 Mn3 O38 98.4(2) . .
O27 Mn3 O38 96.9(3) . .
O26 Mn3 O38 78.25(19) . .
O25 Mn3 O38 78.8(2) . .
O24 Mn3 O29 91.2(2) . .
O27 Mn3 O29 92.6(3) . .
O26 Mn3 O29 92.3(2) . .
O25 Mn3 O29 91.8(3) . .
O38 Mn3 O29 166.41(18) . .
O24 Mn3 Tb3 87.4(3) . 2_666
O27 Mn3 Tb3 136.7(2) . 2_666
O26 Mn3 Tb3 90.4(2) . 2_666
O25 Mn3 Tb3 38.8(2) . 2_666
O38 Mn3 Tb3 41.04(14) . 2_666
O29 Mn3 Tb3 130.66(17) . 2_666
C20 O3 Mn4 117.1(5) . .
C63 N3 C64 118.3(8) . .
C63 N3 C65 118.8(9) . .
C64 N3 C65 122.8(9) . .
C4 C3 C2 120.9(10) . .
O16 Tb4 O1 85.1(2) . .
O16 Tb4 O17 94.2(2) . 2_777
O1 Tb4 O17 142.5(2) . 2_777
O16 Tb4 O13 144.2(2) . .
O1 Tb4 O13 79.8(3) . .
O17 Tb4 O13 79.2(3) 2_777 .
O16 Tb4 O12 69.8(2) . .
O1 Tb4 O12 67.4(2) . .
O17 Tb4 O12 77.2(3) 2_777 .
O13 Tb4 O12 74.4(3) . .
O16 Tb4 O14 79.0(2) . .
O1 Tb4 O14 73.2(2) . .
O17 Tb4 O14 143.55(19) 2_777 .
O13 Tb4 O14 125.9(2) . .
O12 Tb4 O14 131.0(2) . .
O16 Tb4 O5 141.6(2) . 2_777
O1 Tb4 O5 116.6(2) . 2_777
O17 Tb4 O5 86.5(2) 2_777 2_777
O13 Tb4 O5 73.6(3) . 2_777
O12 Tb4 O5 146.25(19) . 2_777
O14 Tb4 O5 78.0(3) . 2_777
O16 Tb4 O19 77.07(19) . 2_777
O1 Tb4 O19 145.5(2) . 2_777
O17 Tb4 O19 69.0(3) 2_777 2_777
O13 Tb4 O19 130.3(2) . 2_777
O12 Tb4 O19 130.0(2) . 2_777
O14 Tb4 O19 74.6(2) . 2_777
O5 Tb4 O19 67.4(2) 2_777 2_777
O16 Tb4 Mn2 111.17(18) . 2_777
O1 Tb4 Mn2 133.10(18) . 2_777
O17 Tb4 Mn2 82.0(2) 2_777 2_777
O13 Tb4 Mn2 102.7(2) . 2_777
O12 Tb4 Mn2 159.09(13) . 2_777
O14 Tb4 Mn2 67.8(2) . 2_777
O5 Tb4 Mn2 30.91(14) 2_777 2_777
O19 Tb4 Mn2 37.42(16) 2_777 2_777
O16 Tb4 Tb2 35.76(17) . .
O1 Tb4 Tb2 75.01(17) . .
O17 Tb4 Tb2 82.7(2) 2_777 .
O13 Tb4 Tb2 108.6(2) . .
O12 Tb4 Tb2 34.14(14) . .
O14 Tb4 Tb2 108.3(2) . .
O5 Tb4 Tb2 168.33(14) 2_777 .
O19 Tb4 Tb2 104.26(17) 2_777 .
Mn2 Tb4 Tb2 141.67(9) 2_777 .
O16 Tb4 Tb2 83.39(15) . 2_777
O1 Tb4 Tb2 167.72(16) . 2_777
O17 Tb4 Tb2 34.99(15) 2_777 2_777
O13 Tb4 Tb2 107.37(18) . 2_777
O12 Tb4 Tb2 104.38(15) . 2_777
O14 Tb4 Tb2 108.64(14) . 2_777
O5 Tb4 Tb2 75.44(14) 2_777 2_777
O19 Tb4 Tb2 34.04(18) 2_777 2_777
Mn2 Tb4 Tb2 56.08(11) 2_777 2_777
Tb2 Tb4 Tb2 93.09(5) . 2_777
O2 Mn4 O3 91.4(3) . .
O2 Mn4 O4 175.4(2) . .
O3 Mn4 O4 89.1(3) . .
O2 Mn4 O1 88.3(3) . .
O3 Mn4 O1 175.3(2) . .
O4 Mn4 O1 90.8(3) . .
O2 Mn4 O12 95.4(2) . .
O3 Mn4 O12 97.9(2) . .
O4 Mn4 O12 80.0(2) . .
O1 Mn4 O12 77.5(2) . .
O2 Mn4 O9 94.6(3) . .
O3 Mn4 O9 93.3(3) . .
O4 Mn4 O9 89.9(3) . .
O1 Mn4 O9 91.4(3) . .
O12 Mn4 O9 164.8(2) . .
C27 O4 Mn4 121.9(5) . .
C27 O4 Tb2 129.7(5) . .
Mn4 O4 Tb2 108.4(2) . .
O18 N4 O17 124.7(8) . .
O18 N4 O16 121.9(10) . .
O17 N4 O16 113.3(9) . .
O18 N4 Tb2 163.8(6) . .
O17 N4 Tb2 57.2(5) . .
O16 N4 Tb2 58.2(5) . .
C3 C4 C5 119.0(10) . .
C34 O5 Mn2 120.5(4) . .
C34 O5 Tb4 129.3(4) . 2_777
Mn2 O5 Tb4 110.2(3) . 2_777
C125 N5 C122 47.2(10) . .
C125 N5 C126 127.3(14) . .
C122 N5 C126 80.3(13) . .
C125 N5 C124 74.8(12) . .
C122 N5 C124 121.6(11) . .
C126 N5 C124 154.5(13) . .
C125 N5 C127 112.3(14) . .
C122 N5 C127 159.5(13) . .
C126 N5 C127 119.7(14) . .
C124 N5 C127 37.8(10) . .
C125 N5 C123 163.1(12) . .
C122 N5 C123 116.8(12) . .
C126 N5 C123 38.4(10) . .
C124 N5 C123 121.6(11) . .
C127 N5 C123 83.8(13) . .
C6 C5 C4 119.2(10) . .
C6 C5 C7 123.5(9) . .
C4 C5 C7 117.1(10) . .
C41 O6 Mn2 119.2(5) . .
C41 O6 Tb2 131.4(5) . .
Mn2 O6 Tb2 109.4(3) . .
C131 N6 C133 122.6(17) . .
C131 N6 C128 46.8(12) . .
C133 N6 C128 76.3(15) . .
C131 N6 C130 75.7(15) . .
C133 N6 C130 159.3(17) . .
C128 N6 C130 122.6(13) . .
C131 N6 C132 114.8(17) . .
C133 N6 C132 118.9(18) . .
C128 N6 C132 159.1(15) . .
C130 N6 C132 40.7(13) . .
C131 N6 C129 163.3(17) . .
C133 N6 C129 41.1(13) . .
C128 N6 C129 116.5(14) . .
C130 N6 C129 120.9(15) . .
C132 N6 C129 81.5(15) . .
O1 C6 C5 119.0(9) . .
O1 C6 C1 119.2(8) . .
C5 C6 C1 121.6(9) . .
C48 O7 Mn2 118.8(4) . .
C134 N7 C135 122.6(6) . .
C134 N7 C136 120.8(6) . .
C135 N7 C136 116.6(7) . .
C8 C7 C5 114.6(8) . .
C55 O8 Mn2 118.5(4) . .
O37 N8 O36 122.9(7) . .
O37 N8 O35 122.2(7) . .
O36 N8 O35 114.8(7) . .
O37 N8 Tb1 164.9(5) . .
O36 N8 Tb1 58.3(3) . .
O35 N8 Tb1 57.9(3) . .
C9 C8 C13 118.0(9) . .
C9 C8 C7 120.9(9) . .
C13 C8 C7 121.0(9) . .
C57 O9 Mn4 146.3(6) . .
C10 C9 C8 121.8(10) . .
C60 O10 Mn2 150.3(6) . .
C11 C10 C9 120.5(10) . .
C63 O11 Tb2 145.3(6) . .
C10 C11 C12 121.2(9) . .
Mn4 O12 Tb2 101.0(2) . .
Mn4 O12 Tb4 102.1(2) . .
Tb2 O12 Tb4 111.1(2) . .
C203 N12 C205 118.8(9) . .
C203 N12 C204 124.8(9) . .
C205 N12 C204 116.3(8) . .
C11 C12 C13 117.7(9) . .
C11 C12 C14 122.3(8) . .
C13 C12 C14 119.8(8) . .
O2 C13 C8 120.3(8) . .
O2 C13 C12 119.1(9) . .
C8 C13 C12 120.6(8) . .
C12 C14 C15 111.8(8) . .
C16 C15 C20 118.5(9) . .
C16 C15 C14 121.0(8) . .
C20 C15 C14 120.3(8) . .
N4 O16 Tb4 131.6(5) . .
N4 O16 Tb2 94.3(6) . .
Tb4 O16 Tb2 109.5(2) . .
C15 C16 C17 121.6(9) . .
N4 O17 Tb4 132.5(5) . 2_777
N4 O17 Tb2 96.3(5) . .
Tb4 O17 Tb2 110.6(3) 2_777 .
C18 C17 C16 118.8(9) . .
C17 C18 C19 121.9(9) . .
Mn2 O19 Tb2 101.3(2) . .
Mn2 O19 Tb4 101.6(2) . 2_777
Tb2 O19 Tb4 111.2(3) . 2_777
C20 C19 C18 118.3(8) . .
C20 C19 C21 121.6(8) . .
C18 C19 C21 120.0(9) . .
C71 O20 Mn1 122.3(4) . .
O3 C20 C15 119.6(8) . .
O3 C20 C19 119.6(8) . .
C15 C20 C19 120.8(9) . .
C78 O21 Mn1 117.2(4) . .
C19 C21 C22 114.4(8) . .
C85 O22 Mn1 120.4(3) . .
C85 O22 Tb1 130.7(3) . .
Mn1 O22 Tb1 108.9(3) . .
C27 C22 C23 117.8(9) . .
C27 C22 C21 121.5(8) . .
C23 C22 C21 120.7(9) . .
C92 O23 Mn1 117.8(4) . .
C92 O23 Tb3 131.8(3) . .
Mn1 O23 Tb3 110.3(3) . .
C24 C23 C22 121.7(10) . .
C99 O24 Mn3 123.8(4) . .
C23 C24 C25 120.3(10) . .
C106 O25 Mn3 118.0(4) . .
C106 O25 Tb3 131.9(4) . 2_666
Mn3 O25 Tb3 110.2(3) . 2_666
C24 C25 C26 119.0(10) . .
C113 O26 Mn3 120.4(4) . .
C113 O26 Tb1 128.9(4) . .
Mn3 O26 Tb1 110.6(2) . .
C27 C26 C25 119.9(9) . .
C27 C26 C28 121.4(8) . .
C25 C26 C28 118.7(9) . .
C120 O27 Mn3 116.6(4) . .
O4 C27 C22 121.3(9) . .
O4 C27 C26 118.1(9) . .
C22 C27 C26 120.6(8) . .
C125 O28 C122 56.1(12) . .
C125 O28 Mn1 157.1(10) . .
C122 O28 Mn1 146.3(10) . .
C1 C28 C26 113.7(8) . .
C131 O29 C128 54.2(13) . .
C131 O29 Mn3 156.5(14) . .
C128 O29 Mn3 149.2(10) . .
C30 C29 C34 116.6(9) . .
C30 C29 C56 121.9(9) . .
C34 C29 C56 121.3(7) . .
C134 O30 Tb1 153.6(4) . .
C29 C30 C31 121.8(11) . .
Mn1 O31 Tb1 101.6(2) . .
Mn1 O31 Tb3 101.0(3) . .
Tb1 O31 Tb3 111.2(2) . .
C32 C31 C30 118.9(12) . .
C31 C32 C33 124.5(11) . .
C32 C33 C34 115.5(8) . .
C32 C33 C35 120.8(8) . .
C34 C33 C35 123.7(8) . .
O5 C34 C29 119.0(7) . .
O5 C34 C33 118.6(8) . .
C29 C34 C33 122.0(8) . .
N8 O35 Tb3 131.6(3) . 2_666
N8 O35 Tb1 94.9(4) . .
Tb3 O35 Tb1 109.4(3) 2_666 .
C33 C35 C36 110.0(9) . .
N8 O36 Tb3 130.6(4) . .
N8 O36 Tb1 94.8(4) . .
Tb3 O36 Tb1 109.3(2) . .
C37 C36 C41 120.0(11) . .
C37 C36 C35 117.7(10) . .
C41 C36 C35 122.3(9) . .
C38 C37 C36 121.3(11) . .
Mn3 O38 Tb1 101.9(2) . .
Mn3 O38 Tb3 101.2(3) . 2_666
Tb1 O38 Tb3 110.4(3) . 2_666
C37 C38 C39 119.8(12) . .
C38 C39 C40 120.1(12) . .
C41 C40 C39 117.2(10) . .
C41 C40 C42 123.8(9) . .
C39 C40 C42 118.8(10) . .
O6 C41 C40 118.9(8) . .
O6 C41 C36 119.6(8) . .
C40 C41 C36 121.5(9) . .
C40 C42 C43 116.3(9) . .
C48 C43 C44 118.8(9) . .
C48 C43 C42 123.3(8) . .
C44 C43 C42 117.9(9) . .
C45 C44 C43 119.2(10) . .
C44 C45 C46 120.4(10) . .
C47 C46 C45 120.2(11) . .
C48 C47 C46 119.1(9) . .
C48 C47 C49 123.2(8) . .
C46 C47 C49 117.5(9) . .
O7 C48 C47 118.6(8) . .
O7 C48 C43 119.2(8) . .
C47 C48 C43 122.1(8) . .
C50 C49 C47 108.6(8) . .
C51 C50 C55 117.7(8) . .
C51 C50 C49 120.7(8) . .
C55 C50 C49 121.4(8) . .
C52 C51 C50 121.9(10) . .
C51 C52 C53 118.6(9) . .
C54 C53 C52 122.4(9) . .
C53 C54 C55 118.4(9) . .
C53 C54 C56 120.2(9) . .
C55 C54 C56 121.4(8) . .
O8 C55 C54 120.5(8) . .
O8 C55 C50 118.5(7) . .
C54 C55 C50 121.0(8) . .
C29 C56 C54 112.3(7) . .
O9 C57 N1 131.8(11) . .
O10 C60 N2 138.4(12) . .
O11 C63 N3 126.8(11) . .
C67 C66 C71 118.5(9) . .
C67 C66 C93 120.0(9) . .
C71 C66 C93 121.4(8) . .
C68 C67 C66 122.0(10) . .
C67 C68 C69 119.3(9) . .
C70 C69 C68 121.3(9) . .
C69 C70 C71 118.7(9) . .
C69 C70 C72 122.0(8) . .
C71 C70 C72 119.2(8) . .
O20 C71 C66 120.9(7) . .
O20 C71 C70 119.0(8) . .
C66 C71 C70 120.1(8) . .
C70 C72 C73 109.8(7) . .
C74 C73 C78 117.7(7) . .
C74 C73 C72 121.9(7) . .
C78 C73 C72 120.2(7) . .
C73 C74 C75 121.3(8) . .
C76 C75 C74 120.5(9) . .
C75 C76 C77 121.3(8) . .
C76 C77 C78 116.9(7) . .
C76 C77 C79 121.1(7) . .
C78 C77 C79 122.0(7) . .
O21 C78 C77 118.4(7) . .
O21 C78 C73 119.4(6) . .
C77 C78 C73 122.2(7) . .
C77 C79 C80 117.8(7) . .
C85 C80 C81 119.1(9) . .
C85 C80 C79 120.2(7) . .
C81 C80 C79 120.7(8) . .
C82 C81 C80 119.8(8) . .
C83 C82 C81 121.2(8) . .
C82 C83 C84 120.3(9) . .
C83 C84 C85 118.6(8) . .
C83 C84 C86 120.4(8) . .
C85 C84 C86 120.9(7) . .
O22 C85 C80 119.9(8) . .
O22 C85 C84 119.4(7) . .
C80 C85 C84 120.8(7) . .
C87 C86 C84 111.3(7) . .
C92 C87 C88 116.7(9) . .
C92 C87 C86 124.2(8) . .
C88 C87 C86 119.0(8) . .
C89 C88 C87 121.8(10) . .
C88 C89 C90 118.7(9) . .
C91 C90 C89 121.8(9) . .
C90 C91 C92 116.0(9) . .
C90 C91 C93 119.7(8) . .
C92 C91 C93 124.3(8) . .
C87 C92 O23 119.0(7) . .
C87 C92 C91 125.0(8) . .
O23 C92 C91 115.9(7) . .
C91 C93 C66 114.8(8) . .
C95 C94 C99 118.3(10) . .
C95 C94 C121 120.9(9) . .
C99 C94 C121 120.8(8) . .
C94 C95 C96 120.5(11) . .
C95 C96 C97 120.2(10) . .
C98 C97 C96 120.9(10) . .
C97 C98 C99 118.0(10) . .
C97 C98 C100 119.4(9) . .
C99 C98 C100 122.5(8) . .
O24 C99 C98 119.8(8) . .
O24 C99 C94 118.3(8) . .
C98 C99 C94 121.9(8) . .
C101 C100 C98 114.9(8) . .
C106 C101 C102 114.8(10) . .
C106 C101 C100 123.7(9) . .
C102 C101 C100 121.4(9) . .
C103 C102 C101 123.3(10) . .
C102 C103 C104 118.8(10) . .
C105 C104 C103 120.8(11) . .
C104 C105 C106 118.2(10) . .
C104 C105 C107 119.2(10) . .
C106 C105 C107 122.5(8) . .
C101 C106 C105 123.9(9) . .
C101 C106 O25 117.7(9) . .
C105 C106 O25 118.2(8) . .
C105 C107 C108 110.5(7) . .
C109 C108 C113 120.0(8) . .
C109 C108 C107 119.5(9) . .
C113 C108 C107 120.6(7) . .
C108 C109 C110 121.5(9) . .
C111 C110 C109 118.0(8) . .
C110 C111 C112 123.1(9) . .
C111 C112 C113 117.6(9) . .
C111 C112 C114 121.6(8) . .
C113 C112 C114 120.7(7) . .
O26 C113 C108 121.5(7) . .
O26 C113 C112 119.0(8) . .
C108 C113 C112 119.4(8) . .
C115 C114 C112 115.2(7) . .
C116 C115 C120 117.5(9) . .
C116 C115 C114 121.0(8) . .
C120 C115 C114 121.5(7) . .
C117 C116 C115 122.1(9) . .
C116 C117 C118 120.2(9) . .
C117 C118 C119 120.6(10) . .
C120 C119 C118 118.1(9) . .
C120 C119 C121 121.7(8) . .
C118 C119 C121 120.1(9) . .
O27 C120 C119 120.0(8) . .
O27 C120 C115 118.5(8) . .
C119 C120 C115 121.5(8) . .
C119 C121 C94 110.6(8) . .
O28 C122 N5 126.6(17) . .
O28 C125 N5 129.0(19) . .
O29 C128 N6 122.6(18) . .
O29 C131 N6 136(2) . .
O30 C134 N7 125.0(7) . .
O58 C203 N12 126.1(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O30 2.351(7) .
Tb1 O31 2.356(8) .
Tb1 O34 2.370(7) .
Tb1 O38 2.382(7) .
Tb1 O26 2.391(7) .
Tb1 O22 2.400(7) .
Tb1 O35 2.428(7) .
Tb1 O36 2.438(7) .
Tb1 N8 2.856(10) .
Tb1 Tb3 3.927(9) 2_666
Tb1 Tb3 3.936(7) .
Mn1 O20 1.916(7) .
Mn1 O21 1.926(7) .
Mn1 O22 1.956(7) .
Mn1 O23 1.977(7) .
Mn1 O31 2.230(7) .
Mn1 O28 2.253(7) .
O1 C6 1.351(11) .
O1 Mn4 2.001(8) .
O1 Tb4 2.388(8) .
N1 C57 1.278(11) .
N1 C59 1.471(14) .
N1 C58 1.479(12) .
C1 C2 1.394(13) .
C1 C6 1.407(13) .
C1 C28 1.502(14) .
Tb2 O11 2.332(8) .
Tb2 O12 2.370(8) .
Tb2 O15 2.371(8) .
Tb2 O19 2.374(7) .
Tb2 O6 2.396(7) .
Tb2 O4 2.413(8) .
Tb2 O17 2.423(8) .
Tb2 O16 2.443(8) .
Tb2 N4 2.865(13) .
Tb2 Tb4 3.939(8) .
Tb2 Tb4 3.955(11) 2_777
Mn2 O7 1.927(7) .
Mn2 O8 1.931(6) .
Mn2 O6 1.969(7) .
Mn2 O5 1.977(7) .
Mn2 O10 2.240(8) .
Mn2 O19 2.240(8) .
Mn2 Tb4 3.612(6) 2_777
O2 C13 1.363(10) .
O2 Mn4 1.911(8) .
N2 C60 1.293(11) .
N2 C61 1.369(14) .
N2 C62 1.439(13) .
C2 C3 1.390(15) .
Tb3 O23 2.382(8) .
Tb3 O35 2.384(7) 2_666
Tb3 O36 2.388(8) .
Tb3 O25 2.398(7) 2_666
Tb3 O38 2.402(7) 2_666
Tb3 O33 2.413(9) .
Tb3 O31 2.416(7) .
Tb3 O32 2.431(8) .
Tb3 Mn3 3.589(8) 2_666
Tb3 Tb1 3.927(9) 2_666
Mn3 O24 1.923(7) .
Mn3 O27 1.926(6) .
Mn3 O26 1.967(7) .
Mn3 O25 1.969(7) .
Mn3 O38 2.242(7) .
Mn3 O29 2.257(7) .
Mn3 Tb3 3.589(8) 2_666
O3 C20 1.358(11) .
O3 Mn4 1.917(8) .
N3 C63 1.339(11) .
N3 C64 1.464(14) .
N3 C65 1.473(13) .
C3 C4 1.374(14) .
Tb4 O16 2.380(9) .
Tb4 O17 2.390(7) 2_777
Tb4 O13 2.405(7) .
Tb4 O12 2.406(8) .
Tb4 O14 2.408(8) .
Tb4 O5 2.418(8) 2_777
Tb4 O19 2.420(8) 2_777
Tb4 Mn2 3.612(6) 2_777
Tb4 Tb2 3.955(11) 2_777
Mn4 O4 1.965(8) .
Mn4 O12 2.242(8) .
Mn4 O9 2.251(8) .
O4 C27 1.371(10) .
N4 O18 1.267(11) .
N4 O17 1.286(11) .
N4 O16 1.327(10) .
C4 C5 1.432(13) .
O5 C34 1.371(9) .
O5 Tb4 2.418(8) 2_777
N5 C125 1.350(17) .
N5 C122 1.371(17) .
N5 C126 1.420(16) .
N5 C124 1.422(15) .
N5 C127 1.442(16) .
N5 C123 1.477(14) .
C5 C6 1.387(13) .
C5 C7 1.521(14) .
O6 C41 1.374(10) .
N6 C131 1.29(2) .
N6 C133 1.394(18) .
N6 C128 1.396(18) .
N6 C130 1.400(17) .
N6 C132 1.441(17) .
N6 C129 1.449(17) .
O7 C48 1.384(9) .
N7 C134 1.306(9) .
N7 C135 1.457(9) .
N7 C136 1.462(12) .
C7 C8 1.514(13) .
O8 C55 1.348(9) .
N8 O37 1.275(9) .
N8 O36 1.297(9) .
N8 O35 1.309(9) .
C8 C9 1.387(14) .
C8 C13 1.399(13) .
O9 C57 1.214(12) .
C9 C10 1.369(14) .
O10 C60 1.149(13) .
C10 C11 1.356(14) .
O11 C63 1.214(11) .
C11 C12 1.402(13) .
N12 C203 1.308(13) .
N12 C205 1.473(14) .
N12 C204 1.476(12) .
C12 C13 1.423(13) .
C12 C14 1.526(13) .
C14 C15 1.536(13) .
C15 C16 1.399(13) .
C15 C20 1.402(13) .
C16 C17 1.403(13) .
O17 Tb4 2.390(7) 2_777
C17 C18 1.371(13) .
C18 C19 1.411(13) .
O19 Tb4 2.420(8) 2_777
C19 C20 1.409(13) .
C19 C21 1.503(13) .
O20 C71 1.349(8) .
O21 C78 1.381(8) .
C21 C22 1.514(13) .
O22 C85 1.372(8) .
C22 C27 1.390(13) .
C22 C23 1.396(13) .
O23 C92 1.385(9) .
C23 C24 1.373(15) .
O24 C99 1.348(9) .
C24 C25 1.384(15) .
O25 C106 1.406(9) .
O25 Tb3 2.398(7) 2_666
C25 C26 1.400(13) .
O26 C113 1.352(8) .
C26 C27 1.395(13) .
C26 C28 1.544(13) .
O27 C120 1.368(9) .
O28 C125 1.156(19) .
O28 C122 1.161(17) .
O29 C131 1.16(2) .
O29 C128 1.197(19) .
C29 C30 1.402(15) .
C29 C34 1.408(11) .
C29 C56 1.480(11) .
O30 C134 1.233(9) .
C30 C31 1.419(17) .
C31 C32 1.315(17) .
C32 C33 1.411(12) .
C33 C34 1.436(14) .
C33 C35 1.502(14) .
O35 Tb3 2.384(7) 2_666
C35 C36 1.555(14) .
C36 C37 1.379(15) .
C36 C41 1.392(14) .
C37 C38 1.363(18) .
O38 Tb3 2.402(7) 2_666
C38 C39 1.406(18) .
C39 C40 1.444(15) .
C40 C41 1.391(14) .
C40 C42 1.497(14) .
C42 C43 1.510(14) .
C43 C48 1.400(13) .
C43 C44 1.427(14) .
C44 C45 1.394(15) .
C45 C46 1.415(15) .
C46 C47 1.393(13) .
C47 C48 1.386(13) .
C47 C49 1.512(13) .
C49 C50 1.500(13) .
C50 C51 1.396(13) .
C50 C55 1.432(13) .
C51 C52 1.378(14) .
C52 C53 1.424(14) .
O53 C53A 1.383(14) .
C53 C54 1.355(13) .
O54 C54A 1.446(19) .
C54 C55 1.415(12) .
C54 C56 1.522(13) .
O58 C203 1.258(13) .
C66 C67 1.391(13) .
C66 C71 1.398(12) .
C66 C93 1.515(13) .
C67 C68 1.363(14) .
C68 C69 1.392(14) .
C69 C70 1.376(13) .
C70 C71 1.420(12) .
C70 C72 1.522(13) .
C72 C73 1.550(12) .
C73 C74 1.371(12) .
C73 C78 1.411(12) .
C74 C75 1.381(12) .
C75 C76 1.364(12) .
C76 C77 1.401(12) .
C77 C78 1.401(11) .
C77 C79 1.514(11) .
C79 C80 1.525(13) .
C80 C85 1.404(12) .
C80 C81 1.405(12) .
C81 C82 1.394(13) .
C82 C83 1.390(13) .
C83 C84 1.397(12) .
C84 C85 1.423(13) .
C84 C86 1.514(12) .
C86 C87 1.497(12) .
C87 C92 1.350(12) .
C87 C88 1.421(13) .
C88 C89 1.393(15) .
C89 C90 1.413(15) .
C90 C91 1.388(13) .
C91 C92 1.433(12) .
C91 C93 1.496(13) .
C94 C95 1.380(13) .
C94 C99 1.409(14) .
C94 C121 1.527(14) .
C95 C96 1.385(15) .
C96 C97 1.395(16) .
C97 C98 1.380(13) .
C98 C99 1.394(14) .
C98 C100 1.532(14) .
C100 C101 1.507(15) .
C101 C106 1.381(14) .
C101 C102 1.412(14) .
C102 C103 1.375(16) .
C103 C104 1.387(16) .
C104 C105 1.377(13) .
C105 C106 1.395(14) .
C105 C107 1.517(13) .
C107 C108 1.547(12) .
C108 C109 1.380(12) .
C108 C113 1.382(13) .
C109 C110 1.402(13) .
C110 C111 1.364(13) .
C111 C112 1.389(12) .
C112 C113 1.435(12) .
C112 C114 1.550(13) .
C114 C115 1.486(13) .
C115 C116 1.404(12) .
C115 C120 1.430(13) .
C116 C117 1.364(13) .
C117 C118 1.399(14) .
C118 C119 1.420(12) .
C119 C120 1.398(13) .
C119 C121 1.497(13) .
