# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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#######################################################################

data_mon012_sq
_database_code_depnum_ccdc_archive 'CCDC 1062401'
_audit_update_record             
;
2015-04-29 deposited with the CCDC.
2015-10-13 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_CHEMW03_mon012_sq           
;
PROBLEM: ALERT: The ratio of given/expected molecular weight as
RESPONSE: 13 MeCN solvent molecules and 5 hydrogen molecules were 
not included to calculations, but were included to final formula.
All the detailes can be found below in the "refinement" and 
SQUEEZE paragraphs
;
_vrf_PLAT973_mon012_sq           
;
PROBLEM: Check Calcd Positive Residual Density on     Tb1       5.14 eA-3  
RESPONSE: SQUID analysis has proven the existance of Tb atom. 
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C146 H144 Mn11 N2 O64 S18 Tb4  x 13 (C2 H3 N)'
_chemical_formula_sum            'C172 H188 Mn11 N15 O64 S18 Tb4'
_chemical_formula_weight         5306.46

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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.7970(4)
_cell_length_b                   18.4077(6)
_cell_length_c                   18.4319(5)
_cell_angle_alpha                61.520(3)
_cell_angle_beta                 66.702(3)
_cell_angle_gamma                78.020(2)
_cell_volume                     4873.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    153(10)
_cell_measurement_reflns_used    9591
_cell_measurement_theta_min      2.9600
_cell_measurement_theta_max      25.2860

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_F_000             2660
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2905
_exptl_crystal_size_mid          0.1191
_exptl_crystal_size_min          0.0332
_exptl_absorpt_coefficient_mu    2.398
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.68703
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
; 
A X-ray quality crystal was selected under ambient conditions
and covered with PARATONE oil
The crystal was mounted and centered in the X-ray beam by
using a video camera.
The initial cell constants were obtained from three series of
OMEGA scans at different starting angles. Each series consisted
of 30 frames collected at intervals of 0.3 in a 10 range about
OMEGA with the exposure time of 30 seconds per frame.
The data were collected using the full sphere routine.
This dataset was corrected for 
Lorentz and polarization effects.
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64195
_diffrn_reflns_av_unetI/netI     0.1260
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.964
_diffrn_reflns_theta_max         28.598
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.899
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.899
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             22423
_reflns_number_gt                11171
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;

The positions of all metal atoms were found by the direct methods.
The remaining atoms were located in an alternating series of least-squares
cycles and difference Fourier maps.

A half of the centrosymmetrical dimer was found ia asymmetric unit of 
triclinic cell.
   
All non-hydrogen atoms were refined in full-matrix anisotropic approximation.
The majority of hydrogen atoms were placed in the structure factor calculation
 at idealized positions and were allowed to ride on the neighboring atoms with
relative isotropic displacement coefficients. H atoms of 6 water ligands were
 placed and fixed at calculated positions.To be neutral the cluster should have 
five out of eigth μ -3 oxyhens protonated. It was not possible to assign
the positions of those hydrogens objectively, therefore they were not included 
to calculations, but were inclded to final formula
 SAME restraint were use to keep similar geometry for chemically identical ligands.
SIMU, DELU and EAPD restraints were applied to obtain reasonable geometrical 
parameters and thermal displacement coefficients. 

As typical for this family of clusters,
the crystal structures have huge voids accessible for  solvents but not all
of them were objectively located on a difference Fourier map and refined. 
The SQUEEZE [A.L.Spek,J.Appl.Cryst. 2003, 36, 7-13] was applied to treat
 electron density of disordered and diffused solvents and observed electron
density was assigned to 13 CH₃CN solvent molecules per cell. They were
included to the final moiety and brutto-formula.

Crystal was twinned and difracted very poor, however. the results are 
sifficient to obtain reasonable geometry of the cluster   
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1678P)²+31.6174P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         22423
_refine_ls_number_parameters     1093
_refine_ls_number_restraints     1233
_refine_ls_R_factor_all          0.1662
_refine_ls_R_factor_gt           0.0839
_refine_ls_wR_factor_ref         0.2961
_refine_ls_wR_factor_gt          0.2161
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_restrained_S_all      0.901
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 1.06053(3) 0.34539(3) 0.42420(4) 0.04337(17) Uani 1 1 d . . . . .
Tb2 Tb 0.67991(3) 0.44238(4) 0.52828(4) 0.04757(18) Uani 1 1 d . . . . .
Mn1 Mn 1.0000 0.5000 0.5000 0.0382(5) Uani 1 2 d S . P . .
Mn2 Mn 0.77822(10) 0.52042(11) 0.60035(11) 0.0419(4) Uani 1 1 d . . . . .
Mn3 Mn 0.87474(10) 0.51325(10) 0.39444(10) 0.0396(4) Uani 1 1 d . . . . .
Mn4 Mn 1.01424(10) 0.33747(10) 0.64104(11) 0.0415(4) Uani 1 1 d . . . . .
Mn5 Mn 0.86409(10) 0.35705(11) 0.56730(11) 0.0431(4) Uani 1 1 d . . . . .
Mn6 Mn 0.83669(11) 0.32494(11) 0.44281(12) 0.0480(4) Uani 1 1 d . . . . .
C1 C 1.2649(10) -0.0589(8) 0.9937(11) 0.092(6) Uani 1 1 d D . . . .
H1A H 1.2931 -0.1055 1.0292 0.139 Uiso 1 1 calc R U . . .
H1B H 1.2105 -0.0504 1.0319 0.139 Uiso 1 1 calc R U . . .
H1C H 1.2593 -0.0709 0.9497 0.139 Uiso 1 1 calc R U . . .
S1 S 1.3214(3) 0.0300(3) 0.9410(3) 0.0832(12) Uani 1 1 d D . . . .
C2 C 1.2632(7) 0.1068(6) 0.8809(8) 0.064(2) Uani 1 1 d D U . . .
C3 C 1.1920(7) 0.0926(7) 0.8782(9) 0.066(2) Uani 1 1 d D U . . .
H3A H 1.1702 0.0387 0.9121 0.079 Uiso 1 1 calc R U . . .
C4 C 1.1510(7) 0.1565(6) 0.8262(8) 0.058(2) Uani 1 1 d D U . . .
H4A H 1.1025 0.1459 0.8233 0.070 Uiso 1 1 calc R U . . .
C5 C 1.1817(7) 0.2349(6) 0.7794(7) 0.0507(19) Uani 1 1 d D U . . .
C6 C 1.2547(7) 0.2492(7) 0.7807(8) 0.056(2) Uani 1 1 d D U . . .
H6A H 1.2775 0.3026 0.7460 0.068 Uiso 1 1 calc R U . . .
C7 C 1.2938(8) 0.1852(7) 0.8327(8) 0.063(2) Uani 1 1 d D U . . .
H7A H 1.3427 0.1954 0.8353 0.076 Uiso 1 1 calc R U . . .
C8 C 1.1439(7) 0.3016(7) 0.7162(7) 0.048(2) Uani 1 1 d D U . . .
C9 C 0.6042(16) 0.250(2) 1.1718(16) 0.36(4) Uani 1 1 d D . . . .
H9A H 0.5612 0.2351 1.2296 0.541 Uiso 1 1 calc R U . . .
H9B H 0.6489 0.2082 1.1769 0.541 Uiso 1 1 calc R U . . .
H9C H 0.6251 0.3041 1.1500 0.541 Uiso 1 1 calc R U . . .
S2 S 0.5656(4) 0.2516(3) 1.1017(3) 0.1114(19) Uani 1 1 d D . . . .
C10 C 0.6429(6) 0.2774(8) 0.9986(6) 0.060(2) Uani 1 1 d D U . . .
C11 C 0.7217(6) 0.2868(8) 0.9859(7) 0.062(2) Uani 1 1 d D U . . .
H11A H 0.7358 0.2774 1.0344 0.074 Uiso 1 1 calc R U . . .
C12 C 0.7822(7) 0.3100(8) 0.9030(6) 0.058(2) Uani 1 1 d D U . . .
H12A H 0.8370 0.3157 0.8953 0.070 Uiso 1 1 calc R U . . .
C13 C 0.7619(6) 0.3247(8) 0.8322(6) 0.0512(19) Uani 1 1 d D U . . .
C14 C 0.6821(6) 0.3145(8) 0.8453(7) 0.054(2) Uani 1 1 d D U . . .
H14A H 0.6678 0.3229 0.7973 0.065 Uiso 1 1 calc R U . . .
C15 C 0.6228(7) 0.2921(8) 0.9278(6) 0.057(2) Uani 1 1 d D U . . .
H15A H 0.5677 0.2869 0.9357 0.069 Uiso 1 1 calc R U . . .
C16 C 0.8260(7) 0.3515(8) 0.7435(7) 0.053(2) Uani 1 1 d D U . . .
C17 C 0.5926(9) 1.0231(12) 0.2626(15) 0.126(8) Uani 1 1 d D . . . .
H17A H 0.5690 1.0758 0.2296 0.189 Uiso 1 1 calc R U . . .
H17B H 0.5946 0.9835 0.2405 0.189 Uiso 1 1 calc R U . . .
H17C H 0.5588 1.0014 0.3251 0.189 Uiso 1 1 calc R U . . .
S3 S 0.6901(3) 1.0382(2) 0.2499(3) 0.0879(13) Uani 1 1 d D . . . .
C18 C 0.7220(7) 0.9375(6) 0.3135(8) 0.061(2) Uani 1 1 d D U . . .
C19 C 0.6717(7) 0.8712(6) 0.3604(8) 0.058(2) Uani 1 1 d D U . . .
H19A H 0.6183 0.8772 0.3581 0.070 Uiso 1 1 calc R U . . .
C20 C 0.7000(7) 0.7945(7) 0.4118(8) 0.055(2) Uani 1 1 d D U . . .
H20A H 0.6656 0.7481 0.4444 0.066 Uiso 1 1 calc R U . . .
C21 C 0.7769(6) 0.7854(6) 0.4158(8) 0.0522(19) Uani 1 1 d D U . . .
C22 C 0.8275(7) 0.8531(6) 0.3659(8) 0.057(2) Uani 1 1 d D U . . .
H22A H 0.8816 0.8466 0.3665 0.069 Uiso 1 1 calc R U . . .
C23 C 0.8005(7) 0.9293(7) 0.3157(8) 0.062(2) Uani 1 1 d D U . . .
H23A H 0.8350 0.9756 0.2830 0.075 Uiso 1 1 calc R U . . .
C24 C 0.8056(8) 0.7026(6) 0.4725(8) 0.049(2) Uani 1 1 d D U . . .
C25 C 0.3773(10) 0.2369(11) 0.3522(13) 0.102(6) Uani 1 1 d D . . . .
H25A H 0.3403 0.2147 0.3404 0.152 Uiso 1 1 calc R U . . .
H25B H 0.3473 0.2465 0.4045 0.152 Uiso 1 1 calc R U . . .
H25C H 0.3991 0.2893 0.3016 0.152 Uiso 1 1 calc R U . . .
S4 S 0.4576(3) 0.1665(4) 0.3703(5) 0.131(3) Uani 1 1 d D . . . .
C26 C 0.5181(7) 0.2144(8) 0.3904(10) 0.069(2) Uani 1 1 d D U . . .
C27 C 0.5954(7) 0.1802(9) 0.3902(10) 0.072(2) Uani 1 1 d D U . . .
H27A H 0.6134 0.1328 0.3793 0.087 Uiso 1 1 calc R U . . .
C28 C 0.6468(8) 0.2146(8) 0.4056(10) 0.070(2) Uani 1 1 d D U . . .
H28A H 0.6999 0.1913 0.4041 0.084 Uiso 1 1 calc R U . . .
C29 C 0.6210(7) 0.2814(8) 0.4228(9) 0.0602(19) Uani 1 1 d D U . . .
C30 C 0.5436(7) 0.3150(8) 0.4247(9) 0.062(2) Uani 1 1 d D U . . .
H30A H 0.5246 0.3600 0.4396 0.074 Uiso 1 1 calc R U . . .
C31 C 0.4934(7) 0.2840(8) 0.4051(9) 0.065(2) Uani 1 1 d D U . . .
H31A H 0.4421 0.3104 0.4017 0.078 Uiso 1 1 calc R U . . .
C32 C 0.6743(8) 0.3152(9) 0.4444(9) 0.059(2) Uani 1 1 d D U . . .
C33 C 0.4480(14) 0.0492(14) 1.1492(12) 0.146(10) Uani 1 1 d D . . . .
H33A H 0.4146 0.0263 1.2118 0.220 Uiso 1 1 calc R U . . .
H33B H 0.4698 0.0040 1.1320 0.220 Uiso 1 1 calc R U . . .
H33C H 0.4934 0.0795 1.1385 0.220 Uiso 1 1 calc R U . . .
S5 S 0.3885(3) 0.1153(4) 1.0880(3) 0.1103(18) Uani 1 1 d D . . . .
C34 C 0.4573(7) 0.1506(8) 0.9780(7) 0.074(3) Uani 1 1 d D U . . .
C35 C 0.5289(7) 0.1097(9) 0.9507(8) 0.077(3) Uani 1 1 d D U . . .
H35A H 0.5422 0.0576 0.9915 0.092 Uiso 1 1 calc R U . . .
C36 C 0.5821(7) 0.1445(8) 0.8633(7) 0.071(3) Uani 1 1 d D U . . .
H36A H 0.6314 0.1161 0.8447 0.085 Uiso 1 1 calc R U . . .
C37 C 0.5624(7) 0.2199(7) 0.8047(7) 0.065(2) Uani 1 1 d D U . . .
C38 C 0.4902(7) 0.2608(8) 0.8325(7) 0.067(3) Uani 1 1 d D U . . .
H38A H 0.4766 0.3130 0.7919 0.081 Uiso 1 1 calc R U . . .
C39 C 0.4380(8) 0.2264(8) 0.9184(7) 0.069(3) Uani 1 1 d D U . . .
H39 H 0.3887 0.2549 0.9367 0.083 Uiso 1 1 calc R U . . .
C40 C 0.6203(7) 0.2609(9) 0.7132(7) 0.063(3) Uani 1 1 d D U . . .
C41 C 0.5479(14) 0.4537(9) 1.1568(10) 0.127(8) Uani 1 1 d D . . . .
H41A H 0.5175 0.4444 1.2178 0.190 Uiso 1 1 calc R U . . .
H41B H 0.5180 0.4302 1.1384 0.190 Uiso 1 1 calc R U . . .
H41C H 0.6022 0.4269 1.1523 0.190 Uiso 1 1 calc R U . . .
S6 S 0.5583(3) 0.5582(3) 1.0898(3) 0.1007(15) Uani 1 1 d D . . . .
C42 C 0.6136(9) 0.5628(8) 0.9844(7) 0.070(2) Uani 1 1 d D U . . .
C43 C 0.6151(8) 0.4994(8) 0.9647(7) 0.067(2) Uani 1 1 d D U . . .
H43A H 0.5872 0.4500 1.0092 0.080 Uiso 1 1 calc R U . . .
C44 C 0.6570(7) 0.5072(7) 0.8806(7) 0.060(2) Uani 1 1 d D U . . .
H44A H 0.6552 0.4639 0.8672 0.072 Uiso 1 1 calc R U . . .
C45 C 0.7012(7) 0.5757(7) 0.8161(7) 0.056(2) Uani 1 1 d D U . . .
C46 C 0.6981(8) 0.6418(8) 0.8348(8) 0.065(2) Uani 1 1 d D U . . .
H46A H 0.7267 0.6909 0.7905 0.078 Uiso 1 1 calc R U . . .
C47 C 0.6530(8) 0.6350(8) 0.9181(7) 0.071(2) Uani 1 1 d D U . . .
H47A H 0.6490 0.6807 0.9301 0.085 Uiso 1 1 calc R U . . .
C48 C 0.7515(6) 0.5822(7) 0.7252(7) 0.045(2) Uani 1 1 d D U . . .
C49 C 1.2518(9) 0.397(2) -0.1032(17) 0.215(12) Uani 1 1 d D . . . .
H49A H 1.2813 0.4136 -0.1662 0.323 Uiso 1 1 calc R U . . .
H49B H 1.2742 0.4247 -0.0827 0.323 Uiso 1 1 calc R U . . .
H49C H 1.2581 0.3367 -0.0708 0.323 Uiso 1 1 calc R U . . .
S7 S 1.1503(4) 0.4226(5) -0.0857(3) 0.1412(19) Uani 1 1 d D . . . .
C50 C 1.1048(8) 0.3891(11) 0.0286(7) 0.089(3) Uani 1 1 d D U . . .
C51 C 1.1468(8) 0.3451(11) 0.0861(8) 0.087(3) Uani 1 1 d D U . . .
H51A H 1.2036 0.3329 0.0647 0.105 Uiso 1 1 calc R U . . .
C52 C 1.1051(7) 0.3186(11) 0.1762(8) 0.084(3) Uani 1 1 d D U . . .
H52A H 1.1333 0.2874 0.2165 0.100 Uiso 1 1 calc R U . . .
C53 C 1.0230(7) 0.3376(10) 0.2067(8) 0.076(2) Uani 1 1 d D U . . .
C54 C 0.9818(8) 0.3819(10) 0.1481(8) 0.083(3) Uani 1 1 d D U . . .
H54A H 0.9254 0.3958 0.1689 0.099 Uiso 1 1 calc R U . . .
C55 C 1.0223(8) 0.4058(11) 0.0598(8) 0.090(3) Uani 1 1 d D U . . .
H55A H 0.9933 0.4340 0.0199 0.108 Uiso 1 1 calc R U . . .
C56 C 0.9818(8) 0.3186(10) 0.3009(8) 0.069(3) Uani 1 1 d D U . . .
C57 C 1.1572(15) 0.7642(14) -0.1884(16) 0.215(12) Uani 1 1 d D . . . .
H57A H 1.1867 0.7917 -0.2518 0.323 Uiso 1 1 calc R U . . .
H57B H 1.1010 0.7541 -0.1777 0.323 Uiso 1 1 calc R U . . .
H57C H 1.1562 0.7996 -0.1617 0.323 Uiso 1 1 calc R U . . .
S8 S 1.2047(4) 0.6735(5) -0.1434(3) 0.1412(19) Uani 1 1 d D . . . .
C58 C 1.1458(8) 0.6307(9) -0.0300(7) 0.083(3) Uani 1 1 d D U . . .
C59 C 1.1741(8) 0.5578(9) 0.0237(7) 0.081(3) Uani 1 1 d D U . . .
H59A H 1.2229 0.5322 -0.0006 0.097 Uiso 1 1 calc R U . . .
C60 C 1.1317(7) 0.5219(9) 0.1125(7) 0.072(3) Uani 1 1 d D U . . .
H60A H 1.1527 0.4723 0.1494 0.086 Uiso 1 1 calc R U . . .
C61 C 1.0594(7) 0.5562(8) 0.1492(6) 0.062(2) Uani 1 1 d D U . . .
C62 C 1.0309(8) 0.6308(8) 0.0947(7) 0.071(3) Uani 1 1 d D U . . .
H62A H 0.9815 0.6560 0.1187 0.085 Uiso 1 1 calc R U . . .
C63 C 1.0751(8) 0.6678(9) 0.0052(7) 0.080(3) Uani 1 1 d D U . . .
H63A H 1.0564 0.7191 -0.0319 0.096 Uiso 1 1 calc R U . . .
C64 C 1.0153(7) 0.5158(8) 0.2454(6) 0.054(2) Uani 1 1 d D U . . .
C65 C 0.9141(12) -0.2028(12) 0.9751(16) 0.153(11) Uani 1 1 d D . . . .
H65A H 0.9044 -0.2615 1.0153 0.230 Uiso 1 1 calc R U . . .
H65B H 0.9653 -0.1969 0.9257 0.230 Uiso 1 1 calc R U . . .
H65C H 0.9183 -0.1741 1.0065 0.230 Uiso 1 1 calc R U . . .
S9 S 0.8381(8) -0.1623(4) 0.9380(5) 0.187(4) Uani 1 1 d D . . . .
C66 C 0.8698(10) -0.0588(7) 0.8687(10) 0.091(3) Uani 1 1 d D U . . .
C67 C 0.9410(10) -0.0282(8) 0.8547(10) 0.092(3) Uani 1 1 d D U . . .
H67A H 0.9777 -0.0632 0.8839 0.110 Uiso 1 1 calc R U . . .
C68 C 0.9589(9) 0.0549(7) 0.7970(10) 0.083(3) Uani 1 1 d D U . . .
H68A H 1.0074 0.0773 0.7874 0.100 Uiso 1 1 calc R U . . .
C69 C 0.9062(8) 0.1033(7) 0.7549(9) 0.071(2) Uani 1 1 d D U . . .
C70 C 0.8342(9) 0.0722(7) 0.7705(9) 0.076(3) Uani 1 1 d D U . . .
H70A H 0.7971 0.1075 0.7422 0.092 Uiso 1 1 calc R U . . .
C71 C 0.8159(10) -0.0096(7) 0.8269(10) 0.087(3) Uani 1 1 d D U . . .
H71A H 0.7671 -0.0316 0.8366 0.105 Uiso 1 1 calc R U . . .
C72 C 0.9204(9) 0.1932(6) 0.6955(8) 0.061(3) Uani 1 1 d D U . . .
C73 C 0.6026(13) 0.5016(14) 0.6856(15) 0.117(7) Uani 1 1 d . . . . .
H73A H 0.5558 0.4824 0.6846 0.176 Uiso 1 1 calc R U . . .
H73B H 0.6078 0.4692 0.7437 0.176 Uiso 1 1 calc R U . . .
H73C H 0.5940 0.5601 0.6731 0.176 Uiso 1 1 calc R U . . .
N1 N 1.0734(8) 0.1653(8) 0.4985(8) 0.068(3) Uani 1 1 d . . . . .
O1 O 0.9405(4) 0.5381(5) 0.2733(5) 0.0455(18) Uani 1 1 d . . . . .
O2 O 0.8027(5) 0.3718(5) 0.6778(5) 0.0491(19) Uani 1 1 d . . . . .
O3 O 0.8179(5) 0.6337(5) 0.3409(5) 0.0478(19) Uani 1 1 d . . . . .
O4 O 0.8984(4) 0.3539(5) 0.7358(5) 0.0498(19) Uani 1 1 d . . . . .
O5 O 0.9166(4) 0.3677(5) 0.4533(5) 0.0426(17) Uani 1 1 d . . . . .
O6 O 0.7717(5) 0.3273(5) 0.5550(5) 0.050(2) Uani 1 1 d . . . . .
O7 O 0.9696(4) 0.3852(4) 0.5484(5) 0.0377(16) Uani 1 1 d . . . . .
O8 O 1.0440(4) 0.4471(4) 0.5923(5) 0.0397(17) Uani 1 1 d . . . . .
O9 O 0.7542(5) 0.6478(5) 0.5254(5) 0.0454(18) Uani 1 1 d . . . . .
O10 O 0.7465(5) 0.2904(5) 0.4325(6) 0.052(2) Uani 1 1 d . . . . .
O11 O 0.7383(5) 0.5267(5) 0.7107(5) 0.0501(19) Uani 1 1 d . . . . .
O12 O 1.0713(5) 0.2890(5) 0.7267(5) 0.0467(18) Uani 1 1 d . . . . .
O13 O 0.8664(6) 0.1918(6) 0.5087(6) 0.067(2) Uani 1 1 d . . . . .
H13B H 0.8596 0.1648 0.4775 0.100 Uiso 1 1 d . U . . .
H13C H 0.8213 0.1694 0.5697 0.100 Uiso 1 1 d . U . . .
O14 O 0.8071(5) 0.4830(5) 0.5132(5) 0.0460(18) Uani 1 1 d . . . . .
O15 O 0.7929(5) 0.4610(5) 0.3905(5) 0.0445(18) Uani 1 1 d . . . . .
O16 O 0.9801(5) 0.2244(5) 0.6926(5) 0.050(2) Uani 1 1 d . . . . .
O17 O 0.9047(5) 0.3337(5) 0.3277(6) 0.056(2) Uani 1 1 d . . . . .
O18 O 1.0259(5) 0.2920(5) 0.3489(6) 0.057(2) Uani 1 1 d . . . . .
O19 O 0.6432(5) 0.3671(6) 0.4760(6) 0.062(2) Uani 1 1 d . . . . .
O20 O 0.8906(4) 0.5289(5) 0.5912(5) 0.0421(17) Uani 1 1 d . . . . .
O21 O 0.6054(5) 0.3351(6) 0.6667(6) 0.061(2) Uani 1 1 d . . . . .
O22 O 1.1183(5) 0.3063(5) 0.5362(5) 0.0487(19) Uani 1 1 d . . . . .
O23 O 1.0521(5) 0.4627(5) 0.2940(5) 0.0490(19) Uani 1 1 d . . . . .
O24 O 1.1966(5) 0.3607(5) 0.3258(5) 0.0486(19) Uani 1 1 d . . . . .
O25 O 0.6723(5) 0.4920(5) 0.6233(5) 0.0499(19) Uani 1 1 d . . . . .
O26 O 0.8724(5) 0.2324(5) 0.6549(5) 0.055(2) Uani 1 1 d . . . . .
O27 O 1.0098(5) 0.2033(5) 0.5290(6) 0.059(2) Uani 1 1 d . . . . .
O28 O 1.1355(6) 0.2092(5) 0.4417(6) 0.062(2) Uani 1 1 d . . . . .
O29 O 0.5340(6) 0.4726(6) 0.5629(6) 0.071(3) Uani 1 1 d . . . . .
H29B H 0.5059 0.4416 0.6271 0.107 Uiso 1 1 d . U . . .
H29C H 0.5241 0.5325 0.5476 0.107 Uiso 1 1 d . U . . .
O30 O 0.6626(6) 0.5830(6) 0.4338(7) 0.081(3) Uani 1 1 d . . . . .
H30B H 0.6642 0.5857 0.3778 0.121 Uiso 1 1 d . U . . .
H30D H 0.7089 0.6139 0.4201 0.121 Uiso 1 1 d . U . . .
O31 O 0.6837(6) 0.2182(6) 0.6896(6) 0.070(3) Uani 1 1 d . . . . .
O32 O 1.0746(8) 0.0898(6) 0.5250(9) 0.099(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O18 2.346(8) . ?
Tb1 O24 2.357(8) . ?
Tb1 O23 2.377(8) . ?
Tb1 O5 2.388(7) . ?
Tb1 O22 2.405(7) . ?
Tb1 O27 2.484(9) . ?
Tb1 O20 2.492(8) 2_766 ?
Tb1 O28 2.519(8) . ?
Tb1 O7 2.565(7) . ?
Tb1 N1 2.918(13) . ?
Tb1 Mn5 3.4871(18) . ?
Tb1 Mn1 3.5414(6) . ?
Tb2 O25 2.282(8) . ?
Tb2 O19 2.329(9) . ?
Tb2 O6 2.366(8) . ?
Tb2 O30 2.371(10) . ?
Tb2 O21 2.403(9) . ?
Tb2 O14 2.402(8) . ?
Tb2 O29 2.427(9) . ?
Tb2 O15 2.455(8) . ?
Tb2 Mn2 3.4045(18) . ?
Tb2 Mn3 3.4427(18) . ?
Tb2 Mn6 3.494(2) . ?
Tb2 Mn5 3.5184(17) . ?
Mn1 O8 1.901(6) . ?
Mn1 O8 1.901(6) 2_766 ?
Mn1 O7 1.961(7) 2_766 ?
Mn1 O7 1.961(7) . ?
Mn1 O20 2.176(7) 2_766 ?
Mn1 O20 2.176(7) . ?
Mn1 Mn4 2.9261(16) 2_766 ?
Mn1 Mn4 2.9261(16) . ?
Mn1 Tb1 3.5413(6) 2_766 ?
Mn2 O14 1.890(8) . ?
Mn2 O25 1.891(8) . ?
Mn2 O11 1.924(8) . ?
Mn2 O20 1.972(7) . ?
Mn2 O9 2.133(8) . ?
Mn2 O2 2.446(8) . ?
Mn3 O8 1.890(7) 2_766 ?
Mn3 O14 1.893(8) . ?
Mn3 O1 1.935(7) . ?
Mn3 O15 1.945(7) . ?
Mn3 O3 2.164(7) . ?
Mn3 O5 2.440(7) . ?
Mn3 Mn5 3.077(2) . ?
Mn4 O8 1.870(7) . ?
Mn4 O7 1.916(7) . ?
Mn4 O16 1.946(8) . ?
Mn4 O12 1.967(7) . ?
Mn4 O4 2.189(8) . ?
Mn4 O22 2.297(9) . ?
Mn5 O5 1.860(7) . ?
Mn5 O7 1.905(7) . ?
Mn5 O6 1.961(8) . ?
Mn5 O2 2.015(8) . ?
Mn5 O26 2.099(8) . ?
Mn5 O14 2.240(8) . ?
Mn5 Mn6 2.855(2) . ?
Mn6 O5 1.873(7) . ?
Mn6 O17 1.927(9) . ?
Mn6 O6 1.947(8) . ?
Mn6 O10 1.949(7) . ?
Mn6 O13 2.212(9) . ?
Mn6 O15 2.300(8) . ?
C1 S1 1.740(12) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
S1 C2 1.763(9) . ?
C2 C3 1.368(12) . ?
C2 C7 1.375(12) . ?
C3 C4 1.399(12) . ?
C3 H3A 0.9500 . ?
C4 C5 1.376(11) . ?
C4 H4A 0.9500 . ?
C5 C6 1.388(11) . ?
C5 C8 1.493(11) . ?
C6 C7 1.380(11) . ?
C6 H6A 0.9500 . ?
C7 H7A 0.9500 . ?
C8 O3 1.251(13) 2_766 ?
C8 O12 1.282(13) . ?
C9 S2 1.668(16) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
S2 C10 1.753(10) . ?
C10 C11 1.362(12) . ?
C10 C15 1.377(12) . ?
C11 C12 1.394(12) . ?
C11 H11A 0.9500 . ?
C12 C13 1.379(11) . ?
C12 H12A 0.9500 . ?
C13 C14 1.380(11) . ?
C13 C16 1.486(11) . ?
C14 C15 1.382(11) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 O4 1.247(13) . ?
C16 O2 1.296(13) . ?
C17 S3 1.721(14) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
S3 C18 1.774(9) . ?
C18 C19 1.369(12) . ?
C18 C23 1.389(12) . ?
C19 C20 1.396(11) . ?
C19 H19A 0.9500 . ?
C20 C21 1.371(11) . ?
C20 H20A 0.9500 . ?
C21 C22 1.387(12) . ?
C21 C24 1.503(11) . ?
C22 C23 1.374(11) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 O9 1.243(14) . ?
C24 O22 1.284(13) 2_766 ?
C25 S4 1.741(13) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
S4 C26 1.760(10) . ?
C26 C31 1.381(12) . ?
C26 C27 1.388(12) . ?
C27 C28 1.390(12) . ?
C27 H27A 0.9500 . ?
C28 C29 1.359(12) . ?
C28 H28A 0.9500 . ?
C29 C30 1.382(12) . ?
C29 C32 1.492(11) . ?
C30 C31 1.387(11) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 O10 1.240(14) . ?
C32 O19 1.269(15) . ?
C33 S5 1.724(13) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
S5 C34 1.773(10) . ?
C34 C35 1.378(12) . ?
C34 C39 1.382(12) . ?
C35 C36 1.402(12) . ?
C35 H35A 0.9500 . ?
C36 C37 1.372(12) . ?
C36 H36A 0.9500 . ?
C37 C38 1.389(12) . ?
C37 C40 1.486(12) . ?
C38 C39 1.377(12) . ?
C38 H38A 0.9500 . ?
C39 H39 0.9500 . ?
C40 O21 1.258(15) . ?
C40 O31 1.284(15) . ?
C41 S6 1.721(14) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
S6 C42 1.765(10) . ?
C42 C43 1.370(12) . ?
C42 C47 1.382(12) . ?
C43 C44 1.378(12) . ?
C43 H43A 0.9500 . ?
C44 C45 1.366(12) . ?
C44 H44A 0.9500 . ?
C45 C46 1.398(12) . ?
C45 C48 1.512(11) . ?
C46 C47 1.379(12) . ?
C46 H46A 0.9500 . ?
C47 H47A 0.9500 . ?
C48 O11 1.257(13) . ?
C48 O24 1.270(13) 2_766 ?
C49 S7 1.709(15) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
S7 C50 1.760(11) . ?
C50 C55 1.375(13) . ?
C50 C51 1.377(13) . ?
C51 C52 1.396(13) . ?
C51 H51A 0.9500 . ?
C52 C53 1.378(12) . ?
C52 H52A 0.9500 . ?
C53 C54 1.382(12) . ?
C53 C56 1.482(12) . ?
C54 C55 1.372(13) . ?
C54 H54A 0.9500 . ?
C55 H55A 0.9500 . ?
C56 O18 1.271(14) . ?
C56 O17 1.282(15) . ?
C57 S8 1.685(15) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
S8 C58 1.768(10) . ?
C58 C59 1.372(13) . ?
C58 C63 1.375(13) . ?
C59 C60 1.372(12) . ?
C59 H59A 0.9500 . ?
C60 C61 1.376(12) . ?
C60 H60A 0.9500 . ?
C61 C62 1.397(12) . ?
C61 C64 1.483(11) . ?
C62 C63 1.390(12) . ?
C62 H62A 0.9500 . ?
C63 H63A 0.9500 . ?
C64 O23 1.245(14) . ?
C64 O1 1.281(14) . ?
C65 S9 1.637(14) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
S9 C66 1.771(11) . ?
C66 C67 1.374(13) . ?
C66 C71 1.376(13) . ?
C67 C68 1.399(12) . ?
C67 H67A 0.9500 . ?
C68 C69 1.358(12) . ?
C68 H68A 0.9500 . ?
C69 C70 1.381(12) . ?
C69 C72 1.494(12) . ?
C70 C71 1.378(12) . ?
C70 H70A 0.9500 . ?
C71 H71A 0.9500 . ?
C72 O26 1.244(14) . ?
C72 O16 1.280(14) . ?
C73 O25 1.37(2) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
N1 O32 1.232(15) . ?
N1 O28 1.273(14) . ?
N1 O27 1.277(14) . ?
O3 C8 1.251(13) 2_766 ?
O8 Mn3 1.890(7) 2_766 ?
O13 H13B 0.9725 . ?
O13 H13C 1.0299 . ?
O20 Tb1 2.491(8) 2_766 ?
O22 C24 1.284(13) 2_766 ?
O24 C48 1.270(13) 2_766 ?
O29 H29B 0.9911 . ?
O29 H29C 0.9939 . ?
O30 H30B 0.9993 . ?
O30 H30D 0.9785 . ?

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
_geom_angle_publ_flag
O18 Tb1 O24 90.0(3) . . ?
O18 Tb1 O23 75.3(3) . . ?
O24 Tb1 O23 76.6(3) . . ?
O18 Tb1 O5 72.9(3) . . ?
O24 Tb1 O5 151.2(3) . . ?
O23 Tb1 O5 76.7(3) . . ?
O18 Tb1 O22 142.3(3) . . ?
O24 Tb1 O22 86.2(3) . . ?
O23 Tb1 O22 139.1(3) . . ?
O5 Tb1 O22 121.5(3) . . ?
O18 Tb1 O27 71.9(3) . . ?
O24 Tb1 O27 118.3(3) . . ?
O23 Tb1 O27 143.5(3) . . ?
O5 Tb1 O27 78.8(3) . . ?
O22 Tb1 O27 77.2(3) . . ?
O18 Tb1 O20 143.5(3) . 2_766 ?
O24 Tb1 O20 74.7(3) . 2_766 ?
O23 Tb1 O20 69.0(2) . 2_766 ?
O5 Tb1 O20 105.4(2) . 2_766 ?
O22 Tb1 O20 70.7(2) . 2_766 ?
O27 Tb1 O20 144.5(3) . 2_766 ?
O18 Tb1 O28 70.8(3) . . ?
O24 Tb1 O28 67.0(3) . . ?
O23 Tb1 O28 129.3(3) . . ?
O5 Tb1 O28 125.0(3) . . ?
O22 Tb1 O28 73.3(3) . . ?
O27 Tb1 O28 51.3(3) . . ?
O20 Tb1 O28 128.3(3) 2_766 . ?
O18 Tb1 O7 130.3(3) . . ?
O24 Tb1 O7 139.0(2) . . ?
O23 Tb1 O7 104.2(2) . . ?
O5 Tb1 O7 59.4(2) . . ?
O22 Tb1 O7 66.3(2) . . ?
O27 Tb1 O7 85.7(3) . . ?
O20 Tb1 O7 68.0(2) 2_766 . ?
O28 Tb1 O7 126.4(3) . . ?
O18 Tb1 N1 66.9(3) . . ?
O24 Tb1 N1 92.7(3) . . ?
O23 Tb1 N1 140.7(3) . . ?
O5 Tb1 N1 101.2(3) . . ?
O22 Tb1 N1 75.9(3) . . ?
O27 Tb1 N1 25.8(3) . . ?
O20 Tb1 N1 144.8(3) 2_766 . ?
O28 Tb1 N1 25.8(3) . . ?
O7 Tb1 N1 108.1(3) . . ?
O18 Tb1 Mn5 98.0(2) . . ?
O24 Tb1 Mn5 169.6(2) . . ?
O23 Tb1 Mn5 98.90(19) . . ?
O5 Tb1 Mn5 30.13(17) . . ?
O22 Tb1 Mn5 91.4(2) . . ?
O27 Tb1 Mn5 70.8(2) . . ?
O20 Tb1 Mn5 94.97(17) 2_766 . ?
O28 Tb1 Mn5 121.9(2) . . ?
O7 Tb1 Mn5 32.37(15) . . ?
N1 Tb1 Mn5 96.6(3) . . ?
O18 Tb1 Mn1 141.6(2) . . ?
O24 Tb1 Mn1 112.05(19) . . ?
O23 Tb1 Mn1 79.68(19) . . ?
O5 Tb1 Mn1 73.31(18) . . ?
O22 Tb1 Mn1 72.87(19) . . ?
O27 Tb1 Mn1 118.2(2) . . ?
O20 Tb1 Mn1 37.42(16) 2_766 . ?
O28 Tb1 Mn1 146.1(2) . . ?
O7 Tb1 Mn1 32.78(15) . . ?
N1 Tb1 Mn1 138.1(3) . . ?
Mn5 Tb1 Mn1 57.60(3) . . ?
O25 Tb2 O19 158.0(3) . . ?
O25 Tb2 O6 104.8(3) . . ?
O19 Tb2 O6 78.4(3) . . ?
O25 Tb2 O30 84.6(4) . . ?
O19 Tb2 O30 105.1(4) . . ?
O6 Tb2 O30 145.9(3) . . ?
O25 Tb2 O21 78.9(3) . . ?
O19 Tb2 O21 81.1(3) . . ?
O6 Tb2 O21 74.3(3) . . ?
O30 Tb2 O21 139.6(3) . . ?
O25 Tb2 O14 64.2(3) . . ?
O19 Tb2 O14 135.0(3) . . ?
O6 Tb2 O14 69.9(3) . . ?
O30 Tb2 O14 85.9(3) . . ?
O21 Tb2 O14 118.1(3) . . ?
O25 Tb2 O29 86.1(3) . . ?
O19 Tb2 O29 78.5(3) . . ?
O6 Tb2 O29 139.7(3) . . ?
O30 Tb2 O29 72.5(3) . . ?
O21 Tb2 O29 69.9(3) . . ?
O14 Tb2 O29 144.9(3) . . ?
O25 Tb2 O15 126.4(3) . . ?
O19 Tb2 O15 75.4(3) . . ?
O6 Tb2 O15 70.5(3) . . ?
O30 Tb2 O15 77.5(3) . . ?
O21 Tb2 O15 140.8(3) . . ?
O14 Tb2 O15 64.5(2) . . ?
O29 Tb2 O15 132.9(3) . . ?
O25 Tb2 Mn2 31.67(19) . . ?
O19 Tb2 Mn2 165.0(2) . . ?
O6 Tb2 Mn2 87.30(19) . . ?
O30 Tb2 Mn2 84.3(3) . . ?
O21 Tb2 Mn2 99.3(2) . . ?
O14 Tb2 Mn2 32.54(18) . . ?
O29 Tb2 Mn2 115.8(3) . . ?
O15 Tb2 Mn2 95.91(17) . . ?
O25 Tb2 Mn3 93.1(2) . . ?
O19 Tb2 Mn3 108.4(2) . . ?
O6 Tb2 Mn3 72.27(19) . . ?
O30 Tb2 Mn3 74.6(2) . . ?
O21 Tb2 Mn3 142.3(2) . . ?
O14 Tb2 Mn3 31.91(18) . . ?
O29 Tb2 Mn3 147.0(2) . . ?
O15 Tb2 Mn3 33.49(17) . . ?
Mn2 Tb2 Mn3 62.44(4) . . ?
O25 Tb2 Mn6 128.8(2) . . ?
O19 Tb2 Mn6 64.1(2) . . ?
O6 Tb2 Mn6 32.03(19) . . ?
O30 Tb2 Mn6 118.5(3) . . ?
O21 Tb2 Mn6 100.3(2) . . ?
O14 Tb2 Mn6 72.23(18) . . ?
O29 Tb2 Mn6 142.4(3) . . ?
O15 Tb2 Mn6 41.03(18) . . ?
Mn2 Tb2 Mn6 101.36(4) . . ?
Mn3 Tb2 Mn6 56.61(4) . . ?
O25 Tb2 Mn5 80.8(2) . . ?
O19 Tb2 Mn5 108.3(2) . . ?
O6 Tb2 Mn5 31.92(19) . . ?
O30 Tb2 Mn5 123.6(2) . . ?
O21 Tb2 Mn5 89.9(2) . . ?
O14 Tb2 Mn5 39.03(18) . . ?
O29 Tb2 Mn5 157.7(2) . . ?
O15 Tb2 Mn5 68.94(17) . . ?
Mn2 Tb2 Mn5 56.80(4) . . ?
Mn3 Tb2 Mn5 52.45(4) . . ?
Mn6 Tb2 Mn5 48.05(4) . . ?
O8 Mn1 O8 180.0 . 2_766 ?
O8 Mn1 O7 100.9(3) . 2_766 ?
O8 Mn1 O7 79.1(3) 2_766 2_766 ?
O8 Mn1 O7 79.1(3) . . ?
O8 Mn1 O7 100.9(3) 2_766 . ?
O7 Mn1 O7 180.0 2_766 . ?
O8 Mn1 O20 92.2(3) . 2_766 ?
O8 Mn1 O20 87.8(3) 2_766 2_766 ?
O7 Mn1 O20 93.9(3) 2_766 2_766 ?
O7 Mn1 O20 86.1(3) . 2_766 ?
O8 Mn1 O20 87.8(3) . . ?
O8 Mn1 O20 92.2(3) 2_766 . ?
O7 Mn1 O20 86.1(3) 2_766 . ?
O7 Mn1 O20 93.9(3) . . ?
O20 Mn1 O20 180.0 2_766 . ?
O8 Mn1 Mn4 141.3(2) . 2_766 ?
O8 Mn1 Mn4 38.7(2) 2_766 2_766 ?
O7 Mn1 Mn4 40.42(19) 2_766 2_766 ?
O7 Mn1 Mn4 139.58(19) . 2_766 ?
O20 Mn1 Mn4 90.47(19) 2_766 2_766 ?
O20 Mn1 Mn4 89.53(19) . 2_766 ?
O8 Mn1 Mn4 38.7(2) . . ?
O8 Mn1 Mn4 141.3(2) 2_766 . ?
O7 Mn1 Mn4 139.58(19) 2_766 . ?
O7 Mn1 Mn4 40.42(19) . . ?
O20 Mn1 Mn4 89.53(19) 2_766 . ?
O20 Mn1 Mn4 90.47(19) . . ?
Mn4 Mn1 Mn4 180.0 2_766 . ?
O8 Mn1 Tb1 83.1(2) . 2_766 ?
O8 Mn1 Tb1 96.9(2) 2_766 2_766 ?
O7 Mn1 Tb1 45.1(2) 2_766 2_766 ?
O7 Mn1 Tb1 134.9(2) . 2_766 ?
O20 Mn1 Tb1 135.9(2) 2_766 2_766 ?
O20 Mn1 Tb1 44.1(2) . 2_766 ?
Mn4 Mn1 Tb1 68.66(4) 2_766 2_766 ?
Mn4 Mn1 Tb1 111.34(4) . 2_766 ?
O8 Mn1 Tb1 96.9(2) . . ?
O8 Mn1 Tb1 83.1(2) 2_766 . ?
O7 Mn1 Tb1 134.9(2) 2_766 . ?
O7 Mn1 Tb1 45.1(2) . . ?
O20 Mn1 Tb1 44.1(2) 2_766 . ?
O20 Mn1 Tb1 135.9(2) . . ?
Mn4 Mn1 Tb1 111.34(4) 2_766 . ?
Mn4 Mn1 Tb1 68.66(4) . . ?
Tb1 Mn1 Tb1 180.0 2_766 . ?
O14 Mn2 O25 82.5(3) . . ?
O14 Mn2 O11 163.6(4) . . ?
O25 Mn2 O11 89.2(3) . . ?
O14 Mn2 O20 96.8(3) . . ?
O25 Mn2 O20 169.6(4) . . ?
O11 Mn2 O20 88.8(3) . . ?
O14 Mn2 O9 99.4(3) . . ?
O25 Mn2 O9 91.4(3) . . ?
O11 Mn2 O9 94.9(3) . . ?
O20 Mn2 O9 98.9(3) . . ?
O14 Mn2 O2 76.2(3) . . ?
O25 Mn2 O2 85.9(3) . . ?
O11 Mn2 O2 89.2(3) . . ?
O20 Mn2 O2 83.9(3) . . ?
O9 Mn2 O2 175.1(3) . . ?
O14 Mn2 Tb2 43.1(2) . . ?
O25 Mn2 Tb2 39.3(2) . . ?
O11 Mn2 Tb2 127.1(2) . . ?
O20 Mn2 Tb2 139.0(2) . . ?
O9 Mn2 Tb2 96.9(2) . . ?
O2 Mn2 Tb2 78.43(18) . . ?
O8 Mn3 O14 92.0(3) 2_766 . ?
O8 Mn3 O1 91.5(3) 2_766 . ?
O14 Mn3 O1 176.0(3) . . ?
O8 Mn3 O15 173.9(3) 2_766 . ?
O14 Mn3 O15 84.9(3) . . ?
O1 Mn3 O15 91.4(3) . . ?
O8 Mn3 O3 94.5(3) 2_766 . ?
O14 Mn3 O3 96.2(3) . . ?
O1 Mn3 O3 85.4(3) . . ?
O15 Mn3 O3 91.1(3) . . ?
O8 Mn3 O5 96.8(3) 2_766 . ?
O14 Mn3 O5 82.6(3) . . ?
O1 Mn3 O5 95.1(3) . . ?
O15 Mn3 O5 77.6(3) . . ?
O3 Mn3 O5 168.6(3) . . ?
O8 Mn3 Mn5 89.1(2) 2_766 . ?
O14 Mn3 Mn5 46.4(2) . . ?
O1 Mn3 Mn5 131.8(2) . . ?
O15 Mn3 Mn5 85.0(2) . . ?
O3 Mn3 Mn5 142.6(2) . . ?
O5 Mn3 Mn5 37.19(18) . . ?
O8 Mn3 Tb2 133.7(2) 2_766 . ?
O14 Mn3 Tb2 42.1(2) . . ?
O1 Mn3 Tb2 134.6(2) . . ?
O15 Mn3 Tb2 44.1(2) . . ?
O3 Mn3 Tb2 86.5(2) . . ?
O5 Mn3 Tb2 85.04(18) . . ?
Mn5 Mn3 Tb2 65.04(4) . . ?
O8 Mn4 O7 81.1(3) . . ?
O8 Mn4 O16 178.4(3) . . ?
O7 Mn4 O16 98.2(3) . . ?
O8 Mn4 O12 97.5(3) . . ?
O7 Mn4 O12 174.0(3) . . ?
O16 Mn4 O12 83.3(3) . . ?
O8 Mn4 O4 93.2(3) . . ?
O7 Mn4 O4 92.4(3) . . ?
O16 Mn4 O4 85.4(3) . . ?
O12 Mn4 O4 93.5(3) . . ?
O8 Mn4 O22 95.4(3) . . ?
O7 Mn4 O22 79.9(3) . . ?
O16 Mn4 O22 85.9(3) . . ?
O12 Mn4 O22 94.5(3) . . ?
O4 Mn4 O22 167.4(3) . . ?
O8 Mn4 Mn1 39.5(2) . . ?
O7 Mn4 Mn1 41.6(2) . . ?
O16 Mn4 Mn1 139.8(2) . . ?
O12 Mn4 Mn1 136.8(2) . . ?
O4 Mn4 Mn1 93.1(2) . . ?
O22 Mn4 Mn1 87.74(19) . . ?
O5 Mn5 O7 81.5(3) . . ?
O5 Mn5 O6 82.6(3) . . ?
O7 Mn5 O6 164.0(3) . . ?
O5 Mn5 O2 167.7(3) . . ?
O7 Mn5 O2 97.6(3) . . ?
O6 Mn5 O2 98.3(3) . . ?
O5 Mn5 O26 108.2(3) . . ?
O7 Mn5 O26 95.7(3) . . ?
O6 Mn5 O26 87.5(3) . . ?
O2 Mn5 O26 84.1(3) . . ?
O5 Mn5 O14 89.1(3) . . ?
O7 Mn5 O14 100.7(3) . . ?
O6 Mn5 O14 80.9(3) . . ?
O2 Mn5 O14 79.0(3) . . ?
O26 Mn5 O14 157.8(3) . . ?
O5 Mn5 Mn6 40.3(2) . . ?
O7 Mn5 Mn6 121.1(2) . . ?
O6 Mn5 Mn6 42.9(2) . . ?
O2 Mn5 Mn6 141.0(2) . . ?
O26 Mn5 Mn6 95.7(2) . . ?
O14 Mn5 Mn6 88.6(2) . . ?
O5 Mn5 Mn3 52.5(2) . . ?
O7 Mn5 Mn3 85.7(2) . . ?
O6 Mn5 Mn3 86.1(2) . . ?
O2 Mn5 Mn3 115.3(2) . . ?
O26 Mn5 Mn3 160.3(3) . . ?
O14 Mn5 Mn3 37.7(2) . . ?
Mn6 Mn5 Mn3 67.23(6) . . ?
O5 Mn5 Tb1 40.1(2) . . ?
O7 Mn5 Tb1 46.1(2) . . ?
O6 Mn5 Tb1 118.3(2) . . ?
O2 Mn5 Tb1 142.8(2) . . ?
O26 Mn5 Tb1 91.0(2) . . ?
O14 Mn5 Tb1 111.2(2) . . ?
Mn6 Mn5 Tb1 76.16(5) . . ?
Mn3 Mn5 Tb1 75.79(5) . . ?
O5 Mn5 Tb2 92.3(2) . . ?
O7 Mn5 Tb2 143.0(2) . . ?
O6 Mn5 Tb2 39.7(2) . . ?
O2 Mn5 Tb2 81.0(2) . . ?
O26 Mn5 Tb2 120.8(2) . . ?
O14 Mn5 Tb2 42.5(2) . . ?
Mn6 Mn5 Tb2 65.53(5) . . ?
Mn3 Mn5 Tb2 62.51(4) . . ?
Tb1 Mn5 Tb2 131.26(5) . . ?
O5 Mn6 O17 93.1(3) . . ?
O5 Mn6 O6 82.7(3) . . ?
O17 Mn6 O6 174.1(4) . . ?
O5 Mn6 O10 174.1(3) . . ?
O17 Mn6 O10 89.5(4) . . ?
O6 Mn6 O10 94.3(4) . . ?
O5 Mn6 O13 98.7(3) . . ?
O17 Mn6 O13 93.0(4) . . ?
O6 Mn6 O13 91.7(4) . . ?
O10 Mn6 O13 86.4(3) . . ?
O5 Mn6 O15 82.6(3) . . ?
O17 Mn6 O15 93.9(3) . . ?
O6 Mn6 O15 81.5(3) . . ?
O10 Mn6 O15 92.0(3) . . ?
O13 Mn6 O15 172.9(3) . . ?
O5 Mn6 Mn5 39.9(2) . . ?
O17 Mn6 Mn5 133.0(3) . . ?
O6 Mn6 Mn5 43.3(2) . . ?
O10 Mn6 Mn5 137.5(3) . . ?
O13 Mn6 Mn5 92.0(2) . . ?
O15 Mn6 Mn5 84.56(19) . . ?
O5 Mn6 Tb2 92.8(2) . . ?
O17 Mn6 Tb2 136.6(3) . . ?
O6 Mn6 Tb2 40.2(2) . . ?
O10 Mn6 Tb2 81.7(3) . . ?
O13 Mn6 Tb2 128.4(3) . . ?
O15 Mn6 Tb2 44.5(2) . . ?
Mn5 Mn6 Tb2 66.42(5) . . ?
S1 C1 H1A 109.5 . . ?
S1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
S1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1 S1 C2 103.7(6) . . ?
C3 C2 C7 119.4(9) . . ?
C3 C2 S1 124.4(8) . . ?
C7 C2 S1 116.2(8) . . ?
C2 C3 C4 120.8(10) . . ?
C2 C3 H3A 119.6 . . ?
C4 C3 H3A 119.6 . . ?
C5 C4 C3 119.2(10) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C4 C5 C6 120.1(9) . . ?
C4 C5 C8 119.7(9) . . ?
C6 C5 C8 119.6(9) . . ?
C7 C6 C5 119.6(10) . . ?
C7 C6 H6A 120.2 . . ?
C5 C6 H6A 120.2 . . ?
C2 C7 C6 120.9(10) . . ?
C2 C7 H7A 119.5 . . ?
C6 C7 H7A 119.5 . . ?
O3 C8 O12 123.9(9) 2_766 . ?
O3 C8 C5 119.7(10) 2_766 . ?
O12 C8 C5 116.3(10) . . ?
S2 C9 H9A 109.5 . . ?
S2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
S2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C9 S2 C10 109.1(10) . . ?
C11 C10 C15 119.1(9) . . ?
C11 C10 S2 121.7(8) . . ?
C15 C10 S2 119.1(8) . . ?
C10 C11 C12 121.1(10) . . ?
C10 C11 H11A 119.4 . . ?
C12 C11 H11A 119.4 . . ?
C13 C12 C11 119.6(10) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C12 C13 C14 119.2(9) . . ?
C12 C13 C16 119.4(9) . . ?
C14 C13 C16 121.4(9) . . ?
C15 C14 C13 120.4(10) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C10 C15 C14 120.5(10) . . ?
C10 C15 H15A 119.8 . . ?
C14 C15 H15A 119.8 . . ?
O4 C16 O2 123.6(9) . . ?
O4 C16 C13 119.1(10) . . ?
O2 C16 C13 117.3(9) . . ?
S3 C17 H17A 109.5 . . ?
S3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
S3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C17 S3 C18 102.7(7) . . ?
C19 C18 C23 120.9(9) . . ?
C19 C18 S3 122.5(8) . . ?
C23 C18 S3 116.6(8) . . ?
C18 C19 C20 119.1(10) . . ?
C18 C19 H19A 120.4 . . ?
C20 C19 H19A 120.4 . . ?
C21 C20 C19 120.7(10) . . ?
C21 C20 H20A 119.6 . . ?
C19 C20 H20A 119.6 . . ?
C20 C21 C22 119.1(9) . . ?
C20 C21 C24 119.8(9) . . ?
C22 C21 C24 121.1(9) . . ?
C23 C22 C21 121.1(10) . . ?
C23 C22 H22A 119.5 . . ?
C21 C22 H22A 119.5 . . ?
C22 C23 C18 119.0(10) . . ?
C22 C23 H23A 120.5 . . ?
C18 C23 H23A 120.5 . . ?
O9 C24 O22 124.4(9) . 2_766 ?
O9 C24 C21 118.1(10) . . ?
O22 C24 C21 117.5(10) 2_766 . ?
S4 C25 H25A 109.5 . . ?
S4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
S4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C25 S4 C26 104.3(7) . . ?
C31 C26 C27 118.9(9) . . ?
C31 C26 S4 123.7(8) . . ?
C27 C26 S4 117.4(8) . . ?
C28 C27 C26 120.7(11) . . ?
C28 C27 H27A 119.7 . . ?
C26 C27 H27A 119.7 . . ?
C29 C28 C27 120.1(11) . . ?
C29 C28 H28A 119.9 . . ?
C27 C28 H28A 119.9 . . ?
C28 C29 C30 119.6(9) . . ?
C28 C29 C32 120.1(10) . . ?
C30 C29 C32 120.3(10) . . ?
C29 C30 C31 120.9(10) . . ?
C29 C30 H30A 119.6 . . ?
C31 C30 H30A 119.6 . . ?
C26 C31 C30 119.6(10) . . ?
C26 C31 H31A 120.2 . . ?
C30 C31 H31A 120.2 . . ?
O10 C32 O19 122.8(10) . . ?
O10 C32 C29 118.7(11) . . ?
O19 C32 C29 118.5(11) . . ?
S5 C33 H33A 109.5 . . ?
S5 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
S5 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C33 S5 C34 103.7(8) . . ?
C35 C34 C39 119.5(10) . . ?
C35 C34 S5 124.3(9) . . ?
C39 C34 S5 116.1(9) . . ?
C34 C35 C36 120.5(11) . . ?
C34 C35 H35A 119.7 . . ?
C36 C35 H35A 119.7 . . ?
C37 C36 C35 119.4(11) . . ?
C37 C36 H36A 120.3 . . ?
C35 C36 H36A 120.3 . . ?
C36 C37 C38 119.8(10) . . ?
C36 C37 C40 120.6(10) . . ?
C38 C37 C40 119.5(10) . . ?
C39 C38 C37 120.6(11) . . ?
C39 C38 H38A 119.7 . . ?
C37 C38 H38A 119.7 . . ?
C38 C39 C34 120.1(11) . . ?
C38 C39 H39 119.9 . . ?
C34 C39 H39 119.9 . . ?
O21 C40 O31 125.4(11) . . ?
O21 C40 C37 117.8(12) . . ?
O31 C40 C37 116.7(11) . . ?
S6 C41 H41A 109.5 . . ?
S6 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
S6 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C41 S6 C42 103.1(7) . . ?
C43 C42 C47 118.8(10) . . ?
C43 C42 S6 122.5(9) . . ?
C47 C42 S6 118.6(9) . . ?
C42 C43 C44 120.3(11) . . ?
C42 C43 H43A 119.9 . . ?
C44 C43 H43A 119.9 . . ?
C45 C44 C43 121.4(11) . . ?
C45 C44 H44A 119.3 . . ?
C43 C44 H44A 119.3 . . ?
C44 C45 C46 118.6(9) . . ?
C44 C45 C48 121.6(9) . . ?
C46 C45 C48 119.8(9) . . ?
C47 C46 C45 119.4(11) . . ?
C47 C46 H46A 120.3 . . ?
C45 C46 H46A 120.3 . . ?
C46 C47 C42 121.1(11) . . ?
C46 C47 H47A 119.4 . . ?
C42 C47 H47A 119.4 . . ?
O11 C48 O24 127.5(9) . 2_766 ?
O11 C48 C45 114.3(10) . . ?
O24 C48 C45 118.2(10) 2_766 . ?
S7 C49 H49A 109.5 . . ?
S7 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
S7 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C49 S7 C50 105.0(10) . . ?
C55 C50 C51 120.3(11) . . ?
C55 C50 S7 116.5(9) . . ?
C51 C50 S7 123.1(9) . . ?
C50 C51 C52 119.3(11) . . ?
C50 C51 H51A 120.3 . . ?
C52 C51 H51A 120.3 . . ?
C53 C52 C51 120.0(12) . . ?
C53 C52 H52A 120.0 . . ?
C51 C52 H52A 120.0 . . ?
C52 C53 C54 119.9(11) . . ?
C52 C53 C56 119.5(10) . . ?
C54 C53 C56 120.2(11) . . ?
C55 C54 C53 119.9(12) . . ?
C55 C54 H54A 120.0 . . ?
C53 C54 H54A 120.0 . . ?
C54 C55 C50 120.4(12) . . ?
C54 C55 H55A 119.8 . . ?
C50 C55 H55A 119.8 . . ?
O18 C56 O17 124.3(10) . . ?
O18 C56 C53 117.8(11) . . ?
O17 C56 C53 117.8(11) . . ?
S8 C57 H57A 109.5 . . ?
S8 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
S8 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C57 S8 C58 104.9(10) . . ?
C59 C58 C63 120.0(10) . . ?
C59 C58 S8 117.1(9) . . ?
C63 C58 S8 123.0(9) . . ?
C60 C59 C58 120.0(12) . . ?
C60 C59 H59A 120.0 . . ?
C58 C59 H59A 120.0 . . ?
C59 C60 C61 121.3(11) . . ?
C59 C60 H60A 119.3 . . ?
C61 C60 H60A 119.3 . . ?
C60 C61 C62 118.7(10) . . ?
C60 C61 C64 119.9(10) . . ?
C62 C61 C64 121.3(10) . . ?
C63 C62 C61 119.6(11) . . ?
C63 C62 H62A 120.2 . . ?
C61 C62 H62A 120.2 . . ?
C58 C63 C62 120.4(11) . . ?
C58 C63 H63A 119.8 . . ?
C62 C63 H63A 119.8 . . ?
O23 C64 O1 124.0(9) . . ?
O23 C64 C61 119.1(10) . . ?
O1 C64 C61 117.0(10) . . ?
S9 C65 H65A 109.5 . . ?
S9 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
S9 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C65 S9 C66 100.7(10) . . ?
C67 C66 C71 121.6(10) . . ?
C67 C66 S9 125.3(10) . . ?
C71 C66 S9 113.1(10) . . ?
C66 C67 C68 119.2(12) . . ?
C66 C67 H67A 120.4 . . ?
C68 C67 H67A 120.4 . . ?
C69 C68 C67 119.2(12) . . ?
C69 C68 H68A 120.4 . . ?
C67 C68 H68A 120.4 . . ?
C68 C69 C70 121.0(10) . . ?
C68 C69 C72 121.6(10) . . ?
C70 C69 C72 117.3(10) . . ?
C71 C70 C69 120.5(12) . . ?
C71 C70 H70A 119.8 . . ?
C69 C70 H70A 119.8 . . ?
C70 C71 C66 118.5(12) . . ?
C70 C71 H71A 120.8 . . ?
C66 C71 H71A 120.8 . . ?
O26 C72 O16 125.1(10) . . ?
O26 C72 C69 117.9(11) . . ?
O16 C72 C69 116.9(10) . . ?
O25 C73 H73A 109.5 . . ?
O25 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
O25 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
O32 N1 O28 122.4(13) . . ?
O32 N1 O27 121.2(13) . . ?
O28 N1 O27 116.4(12) . . ?
O32 N1 Tb1 173.8(10) . . ?
O28 N1 Tb1 59.3(6) . . ?
O27 N1 Tb1 57.7(6) . . ?
C64 O1 Mn3 125.9(7) . . ?
C16 O2 Mn5 128.5(7) . . ?
C16 O2 Mn2 113.7(7) . . ?
Mn5 O2 Mn2 94.7(3) . . ?
C8 O3 Mn3 124.6(7) 2_766 . ?
C16 O4 Mn4 131.4(7) . . ?
Mn5 O5 Mn6 99.8(4) . . ?
Mn5 O5 Tb1 109.7(3) . . ?
Mn6 O5 Tb1 135.1(4) . . ?
Mn5 O5 Mn3 90.4(3) . . ?
Mn6 O5 Mn3 98.6(3) . . ?
Tb1 O5 Mn3 113.8(3) . . ?
Mn6 O6 Mn5 93.9(3) . . ?
Mn6 O6 Tb2 107.8(3) . . ?
Mn5 O6 Tb2 108.4(4) . . ?
Mn5 O7 Mn4 121.6(4) . . ?
Mn5 O7 Mn1 122.3(3) . . ?
Mn4 O7 Mn1 98.0(3) . . ?
Mn5 O7 Tb1 101.5(3) . . ?
Mn4 O7 Tb1 109.7(3) . . ?
Mn1 O7 Tb1 102.1(3) . . ?
Mn4 O8 Mn3 127.8(4) . 2_766 ?
Mn4 O8 Mn1 101.8(3) . . ?
Mn3 O8 Mn1 127.6(4) 2_766 . ?
C24 O9 Mn2 126.7(7) . . ?
C32 O10 Mn6 131.3(8) . . ?
C48 O11 Mn2 127.4(7) . . ?
C8 O12 Mn4 129.3(7) . . ?
Mn6 O13 H13B 108.2 . . ?
Mn6 O13 H13C 105.6 . . ?
H13B O13 H13C 106.1 . . ?
Mn2 O14 Mn3 139.6(5) . . ?
Mn2 O14 Mn5 105.5(3) . . ?
Mn3 O14 Mn5 95.9(3) . . ?
Mn2 O14 Tb2 104.3(3) . . ?
Mn3 O14 Tb2 105.9(3) . . ?
Mn5 O14 Tb2 98.5(3) . . ?
Mn3 O15 Mn6 101.2(3) . . ?
Mn3 O15 Tb2 102.4(3) . . ?
Mn6 O15 Tb2 94.5(3) . . ?
C72 O16 Mn4 132.9(7) . . ?
C56 O17 Mn6 127.3(7) . . ?
C56 O18 Tb1 133.8(8) . . ?
C32 O19 Tb2 139.7(7) . . ?
Mn2 O20 Mn1 124.0(4) . . ?
Mn2 O20 Tb1 122.6(3) . 2_766 ?
Mn1 O20 Tb1 98.5(3) . 2_766 ?
C40 O21 Tb2 135.3(8) . . ?
C24 O22 Mn4 125.9(7) 2_766 . ?
C24 O22 Tb1 127.4(7) 2_766 . ?
Mn4 O22 Tb1 103.1(3) . . ?
C64 O23 Tb1 154.3(7) . . ?
C48 O24 Tb1 137.9(7) 2_766 . ?
C73 O25 Mn2 125.1(10) . . ?
C73 O25 Tb2 125.9(10) . . ?
Mn2 O25 Tb2 109.0(3) . . ?
C72 O26 Mn5 132.9(8) . . ?
N1 O27 Tb1 96.5(8) . . ?
N1 O28 Tb1 94.9(8) . . ?
Tb2 O29 H29B 109.0 . . ?
Tb2 O29 H29C 108.9 . . ?
H29B O29 H29C 107.5 . . ?
Tb2 O30 H30B 107.7 . . ?
Tb2 O30 H30D 108.7 . . ?
H30B O30 H30D 108.0 . . ?

_refine_diff_density_max         3.182
_refine_diff_density_min         -2.026
_refine_diff_density_rms         0.175




