#------------------------------------------------------------------------------
#$Date: 2019-11-24 12:53:08 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237947 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/00/4350019.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_4350019
loop_
_publ_author_name
'Litvinova, Yulia M.'
'Gayfulin, Yakov M.'
'van Leusen, Jan'
'Samsonenko, Denis G.'
'Lazarenko, Vladimir A.'
'Zubavichus, Yan V.'
'Kögerler, Paul'
'Mironov, Yuri V.'
_publ_section_title
;
 Metal--organic frameworks based on polynuclear lanthanide complexes and
 octahedral rhenium clusters
;
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1518
_journal_paper_doi               10.1039/C9QI00339H
_journal_volume                  6
_journal_year                    2019
_chemical_formula_sum            'C30 H44 N10 O24 Re6 S8 Tb4'
_chemical_formula_weight         2938.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.930(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.6022(7)
_cell_length_b                   12.3896(3)
_cell_length_c                   23.5464(7)
_cell_measurement_reflns_used    22317
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      3.42
_cell_volume                     6158.7(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.899
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            52272
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.899
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.541
_diffrn_reflns_theta_min         3.251
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    16.614
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.25313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.169
_exptl_crystal_description       stick
_exptl_crystal_F_000             5296
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         2.256
_refine_diff_density_min         -2.062
_refine_diff_density_rms         0.260
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     885
_refine_ls_number_reflns         14100
_refine_ls_number_restraints     785
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0367P)²+53.1300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0743
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12531
_reflns_number_total             14100
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9qi00339h2.cif
_cod_data_source_block           lit74Tb
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4350019
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.050
_shelx_estimated_absorpt_t_max   0.389
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Re1 Re 0.31021(2) 1.09051(2) 0.57281(2) 0.01118(6) Uani 1 1 d . . . . .
Re2 Re 0.33092(2) 1.29580(2) 0.58912(2) 0.01190(6) Uani 1 1 d . . . . .
Re3 Re 0.23172(2) 1.33658(2) 0.49371(2) 0.01138(6) Uani 1 1 d . . . . .
Re4 Re 0.21135(2) 1.13036(2) 0.47728(2) 0.01059(6) Uani 1 1 d . . . . .
Re5 Re 0.32057(2) 1.21031(2) 0.48560(2) 0.01102(6) Uani 1 1 d . . . . .
Re6 Re 0.22164(2) 1.21746(2) 0.58074(2) 0.01156(6) Uani 1 1 d . . . . .
S1 S 0.40819(8) 1.17282(13) 0.57745(7) 0.0153(3) Uani 1 1 d . . . . .
S2 S 0.33560(8) 1.40073(13) 0.50494(8) 0.0162(3) Uani 1 1 d . . . . .
S3 S 0.22497(8) 1.24650(13) 0.40089(7) 0.0151(3) Uani 1 1 d . . . . .
S4 S 0.29778(8) 1.01981(13) 0.47393(7) 0.0155(3) Uani 1 1 d . . . . .
S5 S 0.31722(8) 1.18091(14) 0.66541(7) 0.0178(3) Uani 1 1 d . . . . .
S6 S 0.24562(8) 1.40695(13) 0.59307(8) 0.0171(3) Uani 1 1 d . . . . .
S7 S 0.13415(8) 1.25279(13) 0.48874(8) 0.0150(3) Uani 1 1 d . . . . .
S8 S 0.20590(8) 1.02705(13) 0.56177(7) 0.0149(3) Uani 1 1 d . . . . .
C1 C 0.3550(3) 0.9514(5) 0.6227(3) 0.0165(13) Uani 1 1 d . . . . .
N1 N 0.3767(3) 0.8798(5) 0.6534(3) 0.0236(13) Uani 1 1 d . . . . .
C2 C 0.3998(4) 1.3863(6) 0.6544(3) 0.0192(14) Uani 1 1 d . . . . .
N2 N 0.4379(3) 1.4349(5) 0.6918(3) 0.0229(13) Uani 1 1 d . . . . .
C3 C 0.1852(4) 1.4797(6) 0.4490(3) 0.0199(15) Uani 1 1 d . . . . .
N3 N 0.1597(3) 1.5544(5) 0.4245(3) 0.0218(13) Uani 1 1 d . . . . .
C4 C 0.1409(3) 1.0372(5) 0.4134(3) 0.0147(13) Uani 1 1 d . . . . .
N4 N 0.1013(3) 0.9914(5) 0.3771(3) 0.0210(13) Uani 1 1 d . . . . .
C5 C 0.3790(3) 1.2166(6) 0.4316(3) 0.0175(14) Uani 1 1 d . . . . .
N5 N 0.4108(3) 1.2262(5) 0.4038(3) 0.0243(14) Uani 1 1 d . . . . .
C6 C 0.1640(3) 1.2283(6) 0.6346(3) 0.0231(16) Uani 1 1 d . . . . .
N6 N 0.1332(3) 1.2367(6) 0.6641(3) 0.0330(17) Uani 1 1 d . . . . .
Tb1 Tb 0.40876(2) 0.77556(3) 0.75033(2) 0.01630(7) Uani 1 1 d . . . . .
Tb2 Tb 0.51173(2) 0.53541(2) 0.77950(2) 0.01255(7) Uani 1 1 d . . . . .
Tb3 Tb 0.53604(2) 0.75236(3) 0.67623(2) 0.01410(7) Uani 1 1 d . . . . .
Tb4 Tb 0.58733(2) 0.80923(3) 0.84397(2) 0.01689(7) Uani 1 1 d D . . . .
O1 O 0.4580(2) 0.6594(4) 0.7019(2) 0.0158(9) Uani 1 1 d . . . . .
H1 H 0.426554 0.622796 0.665853 0.019 Uiso 1 1 calc R U . . .
O2 O 0.4949(2) 0.6966(4) 0.8273(2) 0.0160(10) Uani 1 1 d . . . . .
H2 H 0.486130 0.682421 0.865381 0.019 Uiso 1 1 calc R U . . .
O3 O 0.5062(2) 0.8490(4) 0.7478(2) 0.0158(10) Uani 1 1 d . . . . .
H3 H 0.502807 0.928224 0.739103 0.019 Uiso 1 1 calc R U . . .
O4 O 0.5825(2) 0.6717(4) 0.7749(2) 0.0139(9) Uani 1 1 d . . . . .
H4 H 0.625502 0.641692 0.781270 0.017 Uiso 1 1 calc R U . . .
O1M O 0.5140(3) 0.3448(5) 0.8124(3) 0.0495(18) Uani 1 1 d . . . . .
O2M O 0.4517(3) 0.7215(6) 0.5814(3) 0.0427(16) Uani 1 1 d . . . . .
O3M O 0.5160(3) 0.9358(5) 0.6379(3) 0.0346(14) Uani 1 1 d . . . . .
O4M O 0.6910(4) 0.7174(9) 0.8870(5) 0.018(2) Uani 0.579(18) 1 d . U P A 1
O4M' O 0.6941(7) 0.7631(15) 0.8649(7) 0.027(3) Uani 0.421(18) 1 d . U P A 2
O5M O 0.6046(3) 0.7286(5) 0.9403(3) 0.0345(14) Uani 1 1 d . . . . .
O1A O 0.1416(6) 1.1137(10) 0.7589(6) 0.0476(19) Uani 0.571(6) 1 d D U P B 1
O2A O 0.0760(6) 0.9956(15) 0.6918(7) 0.048(2) Uani 0.571(6) 1 d D U P B 1
C1A C 0.1307(6) 1.0306(12) 0.7249(7) 0.047(2) Uani 0.571(6) 1 d D U P B 1
C2A C 0.1879(7) 0.9683(11) 0.7242(8) 0.0431(18) Uani 0.571(6) 1 d D U P B 1
C3A C 0.2445(8) 1.0216(14) 0.7381(8) 0.044(2) Uani 0.571(6) 1 d D U P B 1
H3A H 0.249259 1.095849 0.748771 0.053 Uiso 0.571(6) 1 calc R U P B 1
C4A C 0.2953(8) 0.9573(10) 0.7352(12) 0.043(2) Uani 0.571(6) 1 d D U P B 1
H4A H 0.334441 0.993468 0.742715 0.052 Uiso 0.571(6) 1 calc R U P B 1
C5A C 0.1845(7) 0.8605(12) 0.7109(8) 0.0459(18) Uani 0.571(6) 1 d D U P B 1
H5A H 0.145072 0.823705 0.699865 0.055 Uiso 0.571(6) 1 calc R U P B 1
C6A C 0.2398(6) 0.8039(12) 0.7136(9) 0.044(2) Uani 0.571(6) 1 d D U P B 1
H6A H 0.237421 0.727776 0.708382 0.052 Uiso 0.571(6) 1 calc R U P B 1
O1A' O 0.0914(10) 1.0104(19) 0.7072(9) 0.046(2) Uani 0.429(6) 1 d D U P B 2
O2A' O 0.0592(8) 0.9111(14) 0.6172(8) 0.054(2) Uani 0.429(6) 1 d D U P B 2
C1A' C 0.0991(9) 0.9475(17) 0.6672(8) 0.049(2) Uani 0.429(6) 1 d D U P B 2
C2A' C 0.1674(8) 0.9112(15) 0.6847(10) 0.0451(19) Uani 0.429(6) 1 d D U P B 2
C3A' C 0.2167(9) 0.9755(19) 0.7184(11) 0.045(2) Uani 0.429(6) 1 d D U P B 2
H3A' H 0.206027 1.043027 0.731278 0.054 Uiso 0.429(6) 1 calc R U P B 2
C4A' C 0.2820(10) 0.9513(12) 0.7360(16) 0.044(2) Uani 0.429(6) 1 d D U P B 2
H4A' H 0.314248 1.002347 0.755493 0.053 Uiso 0.429(6) 1 calc R U P B 2
C5A' C 0.1818(9) 0.8128(16) 0.6665(11) 0.048(2) Uani 0.429(6) 1 d D U P B 2
H5A' H 0.150447 0.763953 0.642422 0.058 Uiso 0.429(6) 1 calc R U P B 2
C6A' C 0.2476(7) 0.7902(15) 0.6868(9) 0.045(2) Uani 0.429(6) 1 d D U P B 2
H6A' H 0.259675 0.724425 0.673264 0.054 Uiso 0.429(6) 1 calc R U P B 2
N1A N 0.2946(3) 0.8519(6) 0.7231(4) 0.0413(14) Uani 1 1 d D U . . .
O1B O 0.4247(3) 0.9300(5) 0.8079(3) 0.0373(14) Uani 1 1 d . . . . .
O2B O 0.5256(3) 0.9386(5) 0.8680(3) 0.0402(15) Uani 1 1 d . . . . .
C1B C 0.4679(4) 0.9606(6) 0.8532(4) 0.0301(18) Uani 1 1 d . . . . .
C2B C 0.4509(4) 1.0329(7) 0.8967(4) 0.0323(19) Uani 1 1 d . . . . .
C3B C 0.3899(5) 1.0372(9) 0.8957(5) 0.047(3) Uani 1 1 d . . . . .
H3B H 0.357102 0.997237 0.866508 0.057 Uiso 1 1 calc R U . . .
C4B C 0.3770(5) 1.1014(9) 0.9386(5) 0.055(3) Uani 1 1 d . . . . .
H4B H 0.334834 1.104339 0.937977 0.066 Uiso 1 1 calc R U . . .
C5B C 0.4977(5) 1.0900(8) 0.9416(5) 0.044(3) Uani 1 1 d . . . . .
H5B H 0.540703 1.085993 0.944733 0.053 Uiso 1 1 calc R U . . .
C6B C 0.4802(5) 1.1528(8) 0.9816(5) 0.047(3) Uani 1 1 d . . . . .
H6B H 0.511710 1.193786 1.011471 0.057 Uiso 1 1 calc R U . . .
N1B N 0.4207(4) 1.1576(7) 0.9795(4) 0.046(2) Uani 1 1 d . . . . .
O1C O 0.5737(3) 0.4538(5) 0.7313(3) 0.0342(13) Uani 1 1 d . U . . .
O2C O 0.5634(3) 0.5748(5) 0.6577(3) 0.0355(14) Uani 1 1 d . U . . .
C1C C 0.5818(5) 0.4864(7) 0.6849(4) 0.0379(18) Uani 1 1 d . U . . .
C2C C 0.6196(6) 0.4127(9) 0.6603(6) 0.058(2) Uani 1 1 d . U . . .
C3C C 0.6321(7) 0.3089(9) 0.6806(6) 0.072(3) Uani 1 1 d . U . . .
H3C H 0.613213 0.279203 0.707224 0.086 Uiso 1 1 calc R U . . .
C4C C 0.6729(8) 0.2478(11) 0.6617(7) 0.084(3) Uani 1 1 d . U . . .
H4C H 0.682483 0.176635 0.677212 0.101 Uiso 1 1 calc R U . . .
C5C C 0.6448(7) 0.4504(10) 0.6181(6) 0.069(3) Uani 1 1 d . U . . .
H5C H 0.633963 0.520325 0.600950 0.083 Uiso 1 1 calc R U . . .
C6C C 0.6861(8) 0.3853(11) 0.6011(7) 0.083(3) Uani 1 1 d . U . . .
H6C H 0.704950 0.413254 0.573987 0.099 Uiso 1 1 calc R U . . .
N1C N 0.6998(7) 0.2837(9) 0.6223(6) 0.088(3) Uani 1 1 d . U . . .
O1D O 0.6338(3) 0.8317(4) 0.7207(2) 0.0267(10) Uani 1 1 d D U . . .
O2D O 0.6442(6) 0.9240(10) 0.8044(4) 0.0287(15) Uani 0.579(18) 1 d D U P A 1
O2D' O 0.6267(8) 0.9452(11) 0.7914(7) 0.0279(16) Uani 0.421(18) 1 d D U P A 2
C1D C 0.6542(4) 0.9105(6) 0.7559(3) 0.0273(11) Uani 1 1 d D U . . .
C2D C 0.7045(4) 0.9784(6) 0.7466(4) 0.0273(11) Uani 1 1 d . U . . .
C3D C 0.7270(4) 0.9534(7) 0.7005(4) 0.0290(12) Uani 1 1 d . U . . .
H3D H 0.710155 0.893794 0.674346 0.035 Uiso 1 1 calc R U . . .
C4D C 0.7737(4) 1.0154(7) 0.6932(4) 0.0333(12) Uani 1 1 d . U . . .
H4D H 0.788799 0.997267 0.661593 0.040 Uiso 1 1 calc R U . . .
C5D C 0.7307(4) 1.0634(7) 0.7841(4) 0.0350(12) Uani 1 1 d . U . . .
H5D H 0.717211 1.081132 0.816832 0.042 Uiso 1 1 calc R U . . .
C6D C 0.7768(5) 1.1222(8) 0.7733(5) 0.0420(13) Uani 1 1 d . U . . .
H6D H 0.794315 1.182282 0.798895 0.050 Uiso 1 1 calc R U . . .
N1D N 0.7991(4) 1.0994(6) 0.7281(4) 0.0406(12) Uani 1 1 d . U . . .
O1W O 0.4884(4) 1.0777(6) 0.7195(3) 0.059(2) Uani 1 1 d . . . . .
O2W O 0.5000(12) 0.6013(18) 0.9430(8) 0.075(5) Uani 0.5 1 d . U P C 1
O3W O 0.5297(13) 0.594(2) 0.9715(11) 0.092(6) Uani 0.5 1 d . U P D 2
O4W O 0.5791(4) 0.1500(8) 0.8263(4) 0.054(3) Uani 0.75 1 d . . P . .
O5W O 0.0141(7) 0.8950(12) 0.5712(7) 0.061(3) Uani 0.571(6) 1 d . U P B 1
O6M O 0.1693(7) 1.1393(13) 0.8063(9) 0.047(3) Uani 0.429(6) 1 d . U P B 2
O6W O 0.3377(4) 0.6384(6) 0.5821(4) 0.058(2) Uani 1 1 d . . . . .
O7W O 0.7383(8) 0.7371(15) 1.0303(8) 0.053(4) Uani 0.579(18) 1 d . U P A 1
O8W O 0.7437(12) 0.727(2) 1.0014(12) 0.059(5) Uani 0.421(18) 1 d . U P A 2
O9W O 0.4288(14) 0.952(2) 0.4336(13) 0.042(6) Uani 0.25 1 d . U P E 1
O10W O 0.4656(15) 0.987(2) 0.4683(14) 0.050(7) Uani 0.25 1 d . U P F 2
O11W O 0.4607(9) 0.7435(14) 0.4697(8) 0.045(4) Uani 0.375 1 d . U P . .
O12W O 0.4912(8) 0.4565(15) 0.5488(9) 0.048(4) Uani 0.375 1 d . U P . .
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
Re2 Re1 Re5 59.743(9) . .
Re2 Re1 Re6 59.946(10) . .
Re4 Re1 Re2 89.753(11) . .
Re4 Re1 Re5 60.026(10) . .
Re4 Re1 Re6 60.021(10) . .
Re6 Re1 Re5 90.017(11) . .
S1 Re1 Re2 57.46(4) . .
S1 Re1 Re4 116.96(4) . .
S1 Re1 Re5 56.96(4) . .
S1 Re1 Re6 117.36(4) . .
S1 Re1 S4 89.18(6) . .
S1 Re1 S5 90.00(6) . .
S1 Re1 S8 173.17(6) . .
S4 Re1 Re2 116.94(4) . .
S4 Re1 Re4 57.52(4) . .
S4 Re1 Re5 57.23(4) . .
S4 Re1 Re6 117.50(4) . .
S4 Re1 S8 90.30(6) . .
S5 Re1 Re2 57.21(4) . .
S5 Re1 Re4 117.10(4) . .
S5 Re1 Re5 116.92(4) . .
S5 Re1 Re6 57.13(4) . .
S5 Re1 S4 173.12(6) . .
S5 Re1 S8 89.71(6) . .
S8 Re1 Re2 117.03(4) . .
S8 Re1 Re4 57.39(4) . .
S8 Re1 Re5 117.37(4) . .
S8 Re1 Re6 57.13(4) . .
C1 Re1 Re2 133.53(19) . .
C1 Re1 Re4 136.63(19) . .
C1 Re1 Re5 137.36(18) . .
C1 Re1 Re6 132.57(18) . .
C1 Re1 S1 93.97(19) . .
C1 Re1 S4 96.13(19) . .
C1 Re1 S5 90.74(19) . .
C1 Re1 S8 92.86(19) . .
Re1 Re2 Re3 90.478(11) . .
Re1 Re2 Re5 60.537(9) . .
Re1 Re2 Re6 60.307(10) . .
Re3 Re2 Re6 60.153(10) . .
Re5 Re2 Re3 60.345(10) . .
Re5 Re2 Re6 90.685(11) . .
S1 Re2 Re1 57.41(4) . .
S1 Re2 Re3 117.54(4) . .
S1 Re2 Re5 57.24(4) . .
S1 Re2 Re6 117.67(4) . .
S2 Re2 Re1 117.88(4) . .
S2 Re2 Re3 57.29(4) . .
S2 Re2 Re5 57.39(4) . .
S2 Re2 Re6 117.42(4) . .
S2 Re2 S1 90.05(6) . .
S5 Re2 Re1 57.52(4) . .
S5 Re2 Re3 117.48(4) . .
S5 Re2 Re5 118.02(4) . .
S5 Re2 Re6 57.36(4) . .
S5 Re2 S1 90.16(6) . .
S5 Re2 S2 173.95(6) . .
S5 Re2 S6 89.49(6) . .
S6 Re2 Re1 117.67(4) . .
S6 Re2 Re3 57.56(4) . .
S6 Re2 Re5 117.88(4) . .
S6 Re2 Re6 57.39(4) . .
S6 Re2 S1 173.97(6) . .
S6 Re2 S2 89.67(6) . .
C2 Re2 Re1 133.36(19) . .
C2 Re2 Re3 136.16(19) . .
C2 Re2 Re5 135.02(19) . .
C2 Re2 Re6 134.27(19) . .
C2 Re2 S1 92.5(2) . .
C2 Re2 S2 94.34(19) . .
C2 Re2 S5 91.69(19) . .
C2 Re2 S6 93.5(2) . .
Re2 Re3 Re4 89.413(11) . .
Re2 Re3 Re5 59.753(10) . .
Re2 Re3 Re6 59.937(10) . .
Re4 Re3 Re5 59.955(10) . .
Re4 Re3 Re6 59.930(9) . .
Re6 Re3 Re5 90.215(11) . .
S2 Re3 Re2 57.37(4) . .
S2 Re3 Re4 117.10(4) . .
S2 Re3 Re5 57.19(4) . .
S2 Re3 Re6 117.28(4) . .
S2 Re3 S3 89.76(6) . .
S2 Re3 S6 89.44(6) . .
S3 Re3 Re2 116.76(4) . .
S3 Re3 Re4 57.29(4) . .
S3 Re3 Re5 57.06(4) . .
S3 Re3 Re6 117.18(4) . .
S3 Re3 S6 172.79(6) . .
S6 Re3 Re2 57.12(4) . .
S6 Re3 Re4 117.04(4) . .
S6 Re3 Re5 116.85(4) . .
S6 Re3 Re6 57.18(4) . .
S7 Re3 Re2 116.90(4) . .
S7 Re3 Re4 57.15(4) . .
S7 Re3 Re5 117.07(4) . .
S7 Re3 Re6 57.03(4) . .
S7 Re3 S2 172.99(6) . .
S7 Re3 S3 89.78(6) . .
S7 Re3 S6 90.15(6) . .
C3 Re3 Re2 135.2(2) . .
C3 Re3 Re4 135.4(2) . .
C3 Re3 Re5 135.94(19) . .
C3 Re3 Re6 133.84(19) . .
C3 Re3 S2 94.0(2) . .
C3 Re3 S3 94.4(2) . .
C3 Re3 S6 92.8(2) . .
C3 Re3 S7 93.0(2) . .
Re1 Re4 Re3 90.354(11) . .
Re1 Re4 Re5 60.401(10) . .
Re1 Re4 Re6 60.277(10) . .
Re3 Re4 Re5 60.128(9) . .
Re6 Re4 Re3 60.042(9) . .
Re6 Re4 Re5 90.381(12) . .
S3 Re4 Re1 117.52(4) . .
S3 Re4 Re3 57.37(4) . .
S3 Re4 Re5 57.15(4) . .
S3 Re4 Re6 117.38(4) . .
S3 Re4 S4 89.64(6) . .
S4 Re4 Re1 57.46(4) . .
S4 Re4 Re3 117.44(4) . .
S4 Re4 Re5 57.35(4) . .
S4 Re4 Re6 117.69(4) . .
S7 Re4 Re1 117.35(4) . .
S7 Re4 Re3 57.26(4) . .
S7 Re4 Re5 117.36(4) . .
S7 Re4 Re6 57.10(4) . .
S7 Re4 S3 89.91(6) . .
S7 Re4 S4 173.56(6) . .
S7 Re4 S8 89.38(6) . .
S8 Re4 Re1 57.54(4) . .
S8 Re4 Re3 117.29(4) . .
S8 Re4 Re5 117.90(4) . .
S8 Re4 Re6 57.27(4) . .
S8 Re4 S3 173.67(6) . .
S8 Re4 S4 90.36(6) . .
C4 Re4 Re1 135.64(18) . .
C4 Re4 Re3 133.98(18) . .
C4 Re4 Re5 135.95(17) . .
C4 Re4 Re6 133.65(18) . .
C4 Re4 S3 93.42(18) . .
C4 Re4 S4 94.60(18) . .
C4 Re4 S7 91.84(18) . .
C4 Re4 S8 92.89(18) . .
Re2 Re5 Re1 59.720(9) . .
Re2 Re5 Re3 59.903(10) . .
Re2 Re5 Re4 89.477(11) . .
Re3 Re5 Re1 89.754(11) . .
Re4 Re5 Re1 59.573(10) . .
Re4 Re5 Re3 59.917(9) . .
S1 Re5 Re1 57.18(4) . .
S1 Re5 Re2 57.51(4) . .
S1 Re5 Re3 117.37(4) . .
S1 Re5 Re4 116.73(4) . .
S1 Re5 S2 90.23(6) . .
S1 Re5 S3 173.13(5) . .
S1 Re5 S4 89.27(6) . .
S2 Re5 Re1 117.08(4) . .
S2 Re5 Re2 57.40(4) . .
S2 Re5 Re3 57.13(4) . .
S2 Re5 Re4 117.00(4) . .
S2 Re5 S4 173.02(6) . .
S3 Re5 Re1 116.90(4) . .
S3 Re5 Re2 117.20(4) . .
S3 Re5 Re3 57.36(4) . .
S3 Re5 Re4 57.36(4) . .
S3 Re5 S2 89.91(6) . .
S3 Re5 S4 89.77(6) . .
S4 Re5 Re1 57.15(4) . .
S4 Re5 Re2 116.84(4) . .
S4 Re5 Re3 117.21(4) . .
S4 Re5 Re4 57.33(4) . .
C5 Re5 Re1 137.45(19) . .
C5 Re5 Re2 132.65(18) . .
C5 Re5 Re3 132.69(19) . .
C5 Re5 Re4 137.79(19) . .
C5 Re5 S1 93.2(2) . .
C5 Re5 S2 90.08(19) . .
C5 Re5 S3 93.6(2) . .
C5 Re5 S4 96.91(19) . .
Re2 Re6 Re1 59.747(10) . .
Re2 Re6 Re3 59.910(10) . .
Re2 Re6 Re4 89.454(11) . .
Re3 Re6 Re1 90.014(11) . .
Re4 Re6 Re1 59.702(10) . .
Re4 Re6 Re3 60.028(9) . .
S5 Re6 Re1 57.26(4) . .
S5 Re6 Re2 57.17(4) . .
S5 Re6 Re3 117.06(4) . .
S5 Re6 Re4 116.91(4) . .
S5 Re6 S6 89.24(6) . .
S5 Re6 S8 89.93(6) . .
S6 Re6 Re1 116.91(4) . .
S6 Re6 Re2 57.18(4) . .
S6 Re6 Re3 57.41(4) . .
S6 Re6 Re4 117.37(4) . .
S6 Re6 S8 173.24(6) . .
S7 Re6 Re1 116.94(4) . .
S7 Re6 Re2 117.15(4) . .
S7 Re6 Re3 57.31(4) . .
S7 Re6 Re4 57.26(4) . .
S7 Re6 S5 172.98(6) . .
S7 Re6 S6 90.48(6) . .
S7 Re6 S8 89.53(6) . .
S8 Re6 Re1 57.35(4) . .
S8 Re6 Re2 117.05(4) . .
S8 Re6 Re3 117.34(4) . .
S8 Re6 Re4 57.34(4) . .
C6 Re6 Re1 137.1(2) . .
C6 Re6 Re2 134.6(2) . .
C6 Re6 Re3 132.9(2) . .
C6 Re6 Re4 135.9(2) . .
C6 Re6 S5 94.5(2) . .
C6 Re6 S6 91.5(2) . .
C6 Re6 S7 92.5(2) . .
C6 Re6 S8 95.3(2) . .
Re1 S1 Re2 65.14(4) . .
Re5 S1 Re1 65.85(4) . .
Re5 S1 Re2 65.24(4) . .
Re3 S2 Re2 65.34(4) . .
Re3 S2 Re5 65.67(4) . .
Re5 S2 Re2 65.20(4) . .
Re4 S3 Re3 65.34(4) . .
Re5 S3 Re3 65.58(4) . .
Re5 S3 Re4 65.49(4) . .
Re1 S4 Re4 65.02(4) . .
Re1 S4 Re5 65.62(4) . .
Re4 S4 Re5 65.32(4) . .
Re2 S5 Re1 65.27(4) . .
Re2 S5 Re6 65.47(4) . .
Re6 S5 Re1 65.61(4) . .
Re2 S6 Re3 65.31(4) . .
Re2 S6 Re6 65.43(4) . .
Re6 S6 Re3 65.41(4) . .
Re4 S7 Re3 65.59(4) . .
Re6 S7 Re3 65.67(4) . .
Re6 S7 Re4 65.63(4) . .
Re4 S8 Re1 65.07(4) . .
Re6 S8 Re1 65.52(4) . .
Re6 S8 Re4 65.39(4) . .
N1 C1 Re1 173.5(6) . .
C1 N1 Tb1 154.5(6) . .
N2 C2 Re2 178.2(6) . .
C2 N2 Tb2 173.2(6) . 1_565
N3 C3 Re3 178.7(8) . .
C3 N3 Tb4 164.7(6) . 4_585
N4 C4 Re4 176.4(6) . .
C4 N4 Tb2 157.0(5) . 4_575
N5 C5 Re5 176.0(6) . .
C5 N5 Tb3 169.6(6) . 3_676
N6 C6 Re6 178.4(7) . .
C6 N6 Tb1 165.1(6) . 2_556
N1 Tb1 N6 138.5(2) . 2_546
N1 Tb1 Tb2 123.08(14) . .
N1 Tb1 Tb3 69.24(14) . .
N1 Tb1 Tb4 111.62(15) . .
N1 Tb1 N1A 69.4(2) . .
N6 Tb1 Tb2 95.07(15) 2_546 .
N6 Tb1 Tb3 152.19(15) 2_546 .
N6 Tb1 Tb4 100.16(17) 2_546 .
N6 Tb1 N1A 69.4(2) 2_546 .
Tb2 Tb1 Tb3 60.196(8) . .
Tb2 Tb1 Tb4 61.339(9) . .
Tb4 Tb1 Tb3 58.198(8) . .
O1 Tb1 N1 84.59(18) . .
O1 Tb1 N6 129.8(2) . 2_546
O1 Tb1 Tb2 38.67(11) . .
O1 Tb1 Tb3 34.76(11) . .
O1 Tb1 Tb4 76.36(11) . .
O1 Tb1 O3 67.84(16) . .
O1 Tb1 N1A 134.6(2) . .
O1 Tb1 O6M 71.9(4) . 2_546
O2 Tb1 N1 144.30(18) . .
O2 Tb1 N6 75.65(18) . 2_546
O2 Tb1 Tb2 39.29(11) . .
O2 Tb1 Tb3 76.85(11) . .
O2 Tb1 Tb4 36.52(11) . .
O2 Tb1 O1 73.38(16) . .
O2 Tb1 O3 70.26(16) . .
O2 Tb1 N1A 144.75(19) . .
O2 Tb1 O6M 111.6(5) . 2_546
O3 Tb1 N1 75.56(18) . .
O3 Tb1 N6 133.7(2) . 2_546
O3 Tb1 Tb2 77.71(11) . .
O3 Tb1 Tb3 35.12(11) . .
O3 Tb1 Tb4 36.33(11) . .
O3 Tb1 N1A 133.83(18) . .
O3 Tb1 O6M 137.1(4) . 2_546
O1A Tb1 N1 113.4(4) 2_546 .
O1A Tb1 N6 66.2(3) 2_546 2_546
O1A Tb1 Tb2 64.4(3) 2_546 .
O1A Tb1 Tb3 108.5(3) 2_546 .
O1A Tb1 Tb4 122.2(4) 2_546 .
O1A Tb1 O1 73.8(3) 2_546 .
O1A Tb1 O2 87.4(4) 2_546 .
O1A Tb1 O3 139.6(3) 2_546 .
O1A Tb1 N1A 83.1(4) 2_546 .
O1A Tb1 O1B 139.2(3) 2_546 .
O1A Tb1 O6M 26.8(5) 2_546 2_546
N1A Tb1 Tb2 147.45(16) . .
N1A Tb1 Tb3 138.28(16) . .
N1A Tb1 Tb4 147.27(18) . .
O1B Tb1 N1 92.4(2) . .
O1B Tb1 N6 73.5(2) . 2_546
O1B Tb1 Tb2 127.35(16) . .
O1B Tb1 Tb3 110.04(15) . .
O1B Tb1 Tb4 70.27(15) . .
O1B Tb1 O1 142.67(18) . .
O1B Tb1 O2 88.8(2) . .
O1B Tb1 O3 75.36(18) . .
O1B Tb1 N1A 77.0(2) . .
O1B Tb1 O6M 145.2(4) . 2_546
O6M Tb1 N1 86.7(5) 2_546 .
O6M Tb1 Tb2 80.2(4) 2_546 .
O6M Tb1 Tb3 102.1(3) 2_546 .
O6M Tb1 Tb4 141.5(4) 2_546 .
O6M Tb1 N1A 70.2(4) 2_546 .
N2 Tb2 N4 142.0(2) 1_545 4_676
N2 Tb2 Tb1 93.32(15) 1_545 .
N2 Tb2 Tb3 91.76(15) 1_545 .
N2 Tb2 Tb4 147.35(15) 1_545 .
N2 Tb2 O1M 73.4(2) 1_545 .
N2 Tb2 O1A' 70.0(5) 1_545 2_546
N4 Tb2 Tb1 122.16(14) 4_676 .
N4 Tb2 Tb3 115.53(15) 4_676 .
N4 Tb2 Tb4 69.73(14) 4_676 .
Tb1 Tb2 Tb3 62.307(8) . .
Tb1 Tb2 Tb4 61.645(9) . .
Tb3 Tb2 Tb4 58.932(9) . .
O1 Tb2 N2 71.06(18) . 1_545
O1 Tb2 N4 145.71(19) . 4_676
O1 Tb2 Tb1 38.36(11) . .
O1 Tb2 Tb3 36.51(11) . .
O1 Tb2 Tb4 76.45(11) . .
O1 Tb2 O2 72.33(16) . .
O1 Tb2 O1M 143.9(2) . .
O1 Tb2 O1A' 86.1(5) . 2_546
O2 Tb2 N2 129.76(19) . 1_545
O2 Tb2 N4 83.73(18) . 4_676
O2 Tb2 Tb1 38.46(12) . .
O2 Tb2 Tb3 78.10(11) . .
O2 Tb2 Tb4 37.08(11) . .
O2 Tb2 O1M 129.6(2) . .
O2 Tb2 O1A' 74.3(6) . 2_546
O4 Tb2 N2 126.05(18) . 1_545
O4 Tb2 N4 78.21(19) . 4_676
O4 Tb2 Tb1 78.87(11) . .
O4 Tb2 Tb3 37.46(11) . .
O4 Tb2 Tb4 34.41(11) . .
O4 Tb2 O1 70.63(16) . .
O4 Tb2 O2 69.38(15) . .
O4 Tb2 O1M 139.3(2) . .
O4 Tb2 O2A 144.7(5) . 2_546
O4 Tb2 O1A' 141.3(6) . 2_546
O1M Tb2 N4 70.4(2) . 4_676
O1M Tb2 Tb1 140.13(18) . .
O1M Tb2 Tb3 152.04(19) . .
O1M Tb2 Tb4 139.27(16) . .
O2A Tb2 N2 75.5(4) 2_546 1_545
O2A Tb2 N4 101.4(4) 2_546 4_676
O2A Tb2 Tb1 71.5(4) 2_546 .
O2A Tb2 Tb3 131.2(4) 2_546 .
O2A Tb2 Tb4 111.7(4) 2_546 .
O2A Tb2 O1 96.0(4) 2_546 .
O2A Tb2 O2 75.4(5) 2_546 .
O2A Tb2 O1M 68.8(5) 2_546 .
O2A Tb2 O1A' 10.1(7) 2_546 2_546
O1A' Tb2 Tb1 64.2(5) 2_546 .
O1A' Tb2 Tb3 121.8(5) 2_546 .
O1A' Tb2 Tb4 111.4(5) 2_546 .
O1A' Tb2 O1M 75.9(6) 2_546 .
O1C Tb2 N2 73.7(2) . 1_545
O1C Tb2 N4 87.7(2) . 4_676
O1C Tb2 Tb1 135.22(15) . .
O1C Tb2 Tb3 75.20(15) . .
O1C Tb2 Tb4 108.35(14) . .
O1C Tb2 O1 97.92(19) . .
O1C Tb2 O2 144.94(18) . .
O1C Tb2 O4 75.60(18) . .
O1C Tb2 O1M 77.9(2) . .
O1C Tb2 O2A 139.6(5) . 2_546
O1C Tb2 O1A' 139.9(6) . 2_546
N5 Tb3 Tb1 159.15(15) 3_676 .
N5 Tb3 Tb2 138.72(15) 3_676 .
N5 Tb3 Tb4 134.16(15) 3_676 .
Tb2 Tb3 Tb1 57.497(8) . .
Tb4 Tb3 Tb1 60.862(9) . .
Tb4 Tb3 Tb2 61.374(8) . .
O1 Tb3 N5 145.25(19) . 3_676
O1 Tb3 Tb1 34.58(11) . .
O1 Tb3 Tb2 36.61(11) . .
O1 Tb3 Tb4 78.51(11) . .
O1 Tb3 O4 69.97(16) . .
O1 Tb3 O2M 75.04(19) . .
O1 Tb3 O3M 119.68(18) . .
O1 Tb3 O2C 82.08(19) . .
O3 Tb3 N5 142.77(18) . 3_676
O3 Tb3 Tb1 35.96(12) . .
O3 Tb3 Tb2 75.95(11) . .
O3 Tb3 Tb4 38.09(12) . .
O3 Tb3 O1 68.48(16) . .
O3 Tb3 O4 69.92(15) . .
O3 Tb3 O2M 114.4(2) . .
O3 Tb3 O3M 74.18(17) . .
O3 Tb3 O2C 139.91(18) . .
O4 Tb3 N5 126.30(19) . 3_676
O4 Tb3 Tb1 74.54(10) . .
O4 Tb3 Tb2 36.66(11) . .
O4 Tb3 Tb4 36.66(10) . .
O4 Tb3 O3M 135.17(18) . .
O2M Tb3 N5 76.0(2) . 3_676
O2M Tb3 Tb1 87.71(15) . .
O2M Tb3 Tb2 103.63(16) . .
O2M Tb3 Tb4 148.57(15) . .
O2M Tb3 O4 139.9(2) . .
O2M Tb3 O3M 79.7(2) . .
O3M Tb3 N5 72.9(2) . 3_676
O3M Tb3 Tb1 91.63(13) . .
O3M Tb3 Tb2 148.34(13) . .
O3M Tb3 Tb4 99.31(15) . .
O2C Tb3 N5 75.0(2) . 3_676
O2C Tb3 Tb1 115.92(15) . .
O2C Tb3 Tb2 64.34(15) . .
O2C Tb3 Tb4 111.37(15) . .
O2C Tb3 O4 74.83(18) . .
O2C Tb3 O2M 81.6(2) . .
O2C Tb3 O3M 145.9(2) . .
O1D Tb3 N5 70.5(2) . 3_676
O1D Tb3 Tb1 120.72(13) . .
O1D Tb3 Tb2 110.28(14) . .
O1D Tb3 Tb4 63.70(13) . .
O1D Tb3 O1 140.96(17) . .
O1D Tb3 O3 86.04(18) . .
O1D Tb3 O4 73.76(17) . .
O1D Tb3 O2M 143.9(2) . .
O1D Tb3 O3M 77.9(2) . .
O1D Tb3 O2C 102.1(2) . .
N3 Tb4 Tb2 157.39(14) 4_686 .
N3 Tb4 Tb3 139.12(14) 4_686 .
Tb3 Tb4 Tb2 59.695(8) . .
O2 Tb4 N3 139.89(17) . 4_686
O2 Tb4 Tb2 36.44(11) . .
O2 Tb4 Tb3 78.35(11) . .
O2 Tb4 O4M 115.9(3) . .
O2 Tb4 O2D' 139.9(4) . .
O3 Tb4 N3 128.10(18) . 4_686
O3 Tb4 Tb2 74.21(11) . .
O3 Tb4 Tb3 37.24(10) . .
O3 Tb4 O2 69.02(16) . .
O3 Tb4 O4M 140.7(3) . .
O3 Tb4 O2D' 71.0(4) . .
O4 Tb4 N3 146.59(18) . 4_686
O4 Tb4 Tb2 34.81(11) . .
O4 Tb4 Tb3 37.91(11) . .
O4 Tb4 O2 69.15(15) . .
O4 Tb4 O3 70.29(16) . .
O4 Tb4 O4M 75.6(2) . .
O4 Tb4 O4M' 75.9(4) . .
O4 Tb4 O5M 108.02(18) . .
O4 Tb4 O2D' 94.9(3) . .
O4M Tb4 N3 75.3(3) . 4_686
O4M Tb4 Tb2 88.7(2) . .
O4M Tb4 Tb3 103.6(2) . .
O4M' Tb4 Tb2 98.4(4) . .
O4M' Tb4 Tb3 94.7(4) . .
O4M' Tb4 O2 130.8(5) . .
O4M' Tb4 O3 128.9(4) . .
O4M' Tb4 O5M 83.8(5) . .
O4M' Tb4 O2D' 75.0(5) . .
O5M Tb4 N3 74.6(2) . 4_686
O5M Tb4 Tb2 84.55(15) . .
O5M Tb4 Tb3 143.70(14) . .
O5M Tb4 O2 75.6(2) . .
O5M Tb4 O3 142.67(19) . .
O5M Tb4 O4M 66.9(3) . .
O5M Tb4 O2D' 143.9(4) . .
O2B Tb4 N3 69.8(2) . 4_686
O2B Tb4 Tb2 118.85(16) . .
O2B Tb4 Tb3 113.46(16) . .
O2B Tb4 O2 83.0(2) . .
O2B Tb4 O3 76.43(19) . .
O2B Tb4 O4 142.35(19) . .
O2B Tb4 O4M 141.3(3) . .
O2B Tb4 O4M' 140.9(4) . .
O2B Tb4 O5M 88.0(2) . .
O2B Tb4 O2D' 90.4(3) . .
O2D Tb4 N3 66.7(3) . 4_686
O2D Tb4 Tb2 127.6(2) . .
O2D Tb4 Tb3 72.6(2) . .
O2D Tb4 O2 148.8(3) . .
O2D Tb4 O3 80.9(3) . .
O2D Tb4 O4 93.5(3) . .
O2D Tb4 O4M 82.4(4) . .
O2D Tb4 O5M 135.5(3) . .
O2D Tb4 O2B 98.2(4) . .
O2D' Tb4 Tb2 126.8(3) . .
O2D' Tb4 Tb3 68.2(3) . .
Tb1 O1 Tb2 102.97(17) . .
Tb1 O1 Tb3 110.66(19) . .
Tb1 O1 H1 112.0 . .
Tb2 O1 H1 112.0 . .
Tb3 O1 Tb2 106.89(18) . .
Tb3 O1 H1 112.0 . .
Tb1 O2 Tb2 102.25(18) . .
Tb1 O2 Tb4 108.31(17) . .
Tb1 O2 H2 113.0 . .
Tb2 O2 Tb4 106.49(17) . .
Tb2 O2 H2 113.0 . .
Tb4 O2 H2 113.0 . .
Tb1 O3 H3 111.9 . .
Tb3 O3 Tb1 108.91(19) . .
Tb3 O3 Tb4 104.68(18) . .
Tb3 O3 H3 111.9 . .
Tb4 O3 Tb1 107.28(17) . .
Tb4 O3 H3 111.9 . .
Tb2 O4 Tb3 105.88(18) . .
Tb2 O4 H4 111.5 . .
Tb3 O4 H4 111.5 . .
Tb4 O4 Tb2 110.79(17) . .
Tb4 O4 Tb3 105.44(17) . .
Tb4 O4 H4 111.5 . .
C1A O1A Tb1 132.4(11) . 2_556
C1A O2A Tb2 118.9(12) . 2_556
O1A C1A O2A 125.8(15) . .
O1A C1A C2A 116.5(12) . .
O2A C1A C2A 117.7(13) . .
C3A C2A C1A 118.7(11) . .
C5A C2A C1A 121.5(12) . .
C5A C2A C3A 119.8(14) . .
C2A C3A H3A 122.6 . .
C2A C3A C4A 114.8(16) . .
C4A C3A H3A 122.6 . .
C3A C4A H4A 116.2 . .
N1A C4A C3A 127.6(16) . .
N1A C4A H4A 116.2 . .
C2A C5A H5A 120.1 . .
C2A C5A C6A 119.7(15) . .
C6A C5A H5A 120.1 . .
C5A C6A H6A 118.5 . .
N1A C6A C5A 123.0(14) . .
N1A C6A H6A 118.5 . .
O1A' C1A' C2A' 111.8(17) . .
O2A' C1A' O1A' 130.8(18) . .
O2A' C1A' C2A' 117.4(16) . .
C3A' C2A' C1A' 121.6(16) . .
C3A' C2A' C5A' 117.7(18) . .
C5A' C2A' C1A' 120.7(16) . .
C2A' C3A' H3A' 116.8 . .
C2A' C3A' C4A' 126(2) . .
C4A' C3A' H3A' 116.8 . .
C3A' C4A' H4A' 122.7 . .
N1A C4A' C3A' 114.7(18) . .
N1A C4A' H4A' 122.7 . .
C2A' C5A' H5A' 123.0 . .
C2A' C5A' C6A' 114.0(19) . .
C6A' C5A' H5A' 123.0 . .
C5A' C6A' H6A' 116.6 . .
N1A C6A' C5A' 126.8(18) . .
N1A C6A' H6A' 116.6 . .
C4A N1A Tb1 111.6(8) . .
C6A N1A Tb1 131.7(7) . .
C6A N1A C4A 114.6(12) . .
C4A' N1A Tb1 123.9(10) . .
C4A' N1A C6A' 119.4(15) . .
C6A' N1A Tb1 116.1(9) . .
C1B O1B Tb1 133.0(6) . .
C1B O2B Tb4 137.5(5) . .
O1B C1B O2B 127.1(7) . .
O1B C1B C2B 117.3(7) . .
O2B C1B C2B 115.5(8) . .
C3B C2B C1B 120.6(8) . .
C3B C2B C5B 118.6(8) . .
C5B C2B C1B 120.6(8) . .
C2B C3B H3B 120.7 . .
C2B C3B C4B 118.5(9) . .
C4B C3B H3B 120.7 . .
C3B C4B H4B 118.6 . .
N1B C4B C3B 122.7(9) . .
N1B C4B H4B 118.6 . .
C2B C5B H5B 120.7 . .
C6B C5B C2B 118.6(9) . .
C6B C5B H5B 120.7 . .
C5B C6B H6B 119.0 . .
N1B C6B C5B 122.1(9) . .
N1B C6B H6B 119.0 . .
C4B N1B C6B 119.3(8) . .
C1C O1C Tb2 126.4(6) . .
C1C O2C Tb3 140.7(5) . .
O1C C1C O2C 127.2(8) . .
O1C C1C C2C 115.2(8) . .
O2C C1C C2C 117.6(8) . .
C3C C2C C1C 120.9(9) . .
C3C C2C C5C 118.7(10) . .
C5C C2C C1C 120.4(9) . .
C2C C3C H3C 120.6 . .
C2C C3C C4C 118.8(11) . .
C4C C3C H3C 120.6 . .
C3C C4C H4C 118.1 . .
N1C C4C C3C 123.8(12) . .
N1C C4C H4C 118.1 . .
C2C C5C H5C 120.1 . .
C2C C5C C6C 119.8(11) . .
C6C C5C H5C 120.1 . .
C5C C6C H6C 119.3 . .
N1C C6C C5C 121.5(12) . .
N1C C6C H6C 119.3 . .
C6C N1C C4C 117.3(11) . .
C1D O1D Tb3 134.2(5) . .
C1D O2D Tb4 126.2(7) . .
C1D O2D' Tb4 116.7(8) . .
O1D C1D O2D' 122.9(9) . .
O1D C1D C2D 117.3(6) . .
O2D C1D O1D 124.3(8) . .
O2D C1D C2D 117.0(7) . .
O2D' C1D C2D 118.6(8) . .
C3D C2D C1D 120.1(7) . .
C5D C2D C1D 121.0(6) . .
C5D C2D C3D 118.9(7) . .
C2D C3D H3D 120.4 . .
C4D C3D C2D 119.2(7) . .
C4D C3D H3D 120.4 . .
C3D C4D H4D 118.4 . .
N1D C4D C3D 123.2(7) . .
N1D C4D H4D 118.4 . .
C2D C5D H5D 120.9 . .
C2D C5D C6D 118.3(8) . .
C6D C5D H5D 120.9 . .
C5D C6D H6D 118.2 . .
N1D C6D C5D 123.6(8) . .
N1D C6D H6D 118.2 . .
C4D N1D C6D 116.8(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 Re2 2.5899(4) .
Re1 Re4 2.5895(4) .
Re1 Re5 2.6112(3) .
Re1 Re6 2.6045(4) .
Re1 S1 2.4049(17) .
Re1 S4 2.4083(16) .
Re1 S5 2.4055(16) .
Re1 S8 2.4095(17) .
Re1 C1 2.127(7) .
Re2 Re3 2.5945(4) .
Re2 Re5 2.5905(3) .
Re2 Re6 2.5951(4) .
Re2 S1 2.4062(16) .
Re2 S2 2.4041(16) .
Re2 S5 2.3972(17) .
Re2 S6 2.3981(17) .
Re2 C2 2.081(7) .
Re3 Re4 2.6004(3) .
Re3 Re5 2.6060(3) .
Re3 Re6 2.6008(3) .
Re3 S2 2.4022(17) .
Re3 S3 2.4098(16) .
Re3 S6 2.4099(17) .
Re3 S7 2.4021(16) .
Re3 C3 2.137(7) .
Re4 Re5 2.6014(4) .
Re4 Re6 2.5979(3) .
Re4 S3 2.4075(16) .
Re4 S4 2.4101(16) .
Re4 S7 2.3989(16) .
Re4 S8 2.4055(16) .
Re4 C4 2.103(7) .
Re5 S1 2.3990(17) .
Re5 S2 2.4038(16) .
Re5 S3 2.4019(17) .
Re5 S4 2.4104(16) .
Re5 C5 2.136(7) .
Re6 S5 2.4020(18) .
Re6 S6 2.4036(17) .
Re6 S7 2.3946(17) .
Re6 S8 2.4037(16) .
Re6 C6 2.123(7) .
C1 N1 1.138(9) .
N1 Tb1 2.495(6) .
C2 N2 1.158(9) .
N2 Tb2 2.477(6) 1_565
C3 N3 1.134(9) .
N3 Tb4 2.629(6) 4_585
C4 N4 1.143(9) .
N4 Tb2 2.483(6) 4_575
C5 N5 1.140(9) .
N5 Tb3 2.584(6) 3_676
C6 N6 1.149(9) .
N6 Tb1 2.560(6) 2_556
Tb1 Tb2 3.6876(4) .
Tb1 Tb3 3.8716(4) .
Tb1 Tb4 3.8687(5) .
Tb1 O1 2.349(5) .
Tb1 O2 2.347(5) .
Tb1 O3 2.403(5) .
Tb1 O1A 2.277(11) 2_546
Tb1 N1A 2.604(7) .
Tb1 O1B 2.297(6) .
Tb1 O6M 2.461(14) 2_546
Tb2 Tb3 3.7941(4) .
Tb2 Tb4 3.8575(4) .
Tb2 O1 2.364(5) .
Tb2 O2 2.389(5) .
Tb2 O4 2.355(4) .
Tb2 O1M 2.481(6) .
Tb2 O2A 2.363(14) 2_546
Tb2 O1A' 2.48(2) 2_546
Tb2 O1C 2.326(5) .
Tb3 Tb4 3.7643(5) .
Tb3 O1 2.359(5) .
Tb3 O3 2.355(4) .
Tb3 O4 2.399(5) .
Tb3 O2M 2.393(6) .
Tb3 O3M 2.428(6) .
Tb3 O2C 2.368(6) .
Tb3 O1D 2.300(5) .
Tb4 O2 2.425(5) .
Tb4 O3 2.400(5) .
Tb4 O4 2.331(4) .
Tb4 O4M 2.473(10) .
Tb4 O4M' 2.354(14) .
Tb4 O5M 2.380(6) .
Tb4 O2B 2.324(6) .
Tb4 O2D 2.324(9) .
Tb4 O2D' 2.440(12) .
O1 H1 1.0000 .
O2 H2 1.0000 .
O3 H3 1.0000 .
O4 H4 1.0000 .
O1A C1A 1.273(12) .
O2A C1A 1.279(12) .
C1A C2A 1.512(17) .
C2A C3A 1.370(14) .
C2A C5A 1.368(14) .
C3A H3A 0.9500 .
C3A C4A 1.420(12) .
C4A H4A 0.9500 .
C4A N1A 1.334(11) .
C5A H5A 0.9500 .
C5A C6A 1.416(13) .
C6A H6A 0.9500 .
C6A N1A 1.319(11) .
O1A' C1A' 1.282(13) .
O2A' C1A' 1.281(13) .
C1A' C2A' 1.517(18) .
C2A' C3A' 1.369(15) .
C2A' C5A' 1.369(15) .
C3A' H3A' 0.9500 .
C3A' C4A' 1.416(13) .
C4A' H4A' 0.9500 .
C4A' N1A 1.323(11) .
C5A' H5A' 0.9500 .
C5A' C6A' 1.419(13) .
C6A' H6A' 0.9500 .
C6A' N1A 1.339(12) .
O1B C1B 1.221(10) .
O2B C1B 1.255(10) .
C1B C2B 1.510(11) .
C2B C3B 1.372(12) .
C2B C5B 1.393(12) .
C3B H3B 0.9500 .
C3B C4B 1.394(13) .
C4B H4B 0.9500 .
C4B N1B 1.307(13) .
C5B H5B 0.9500 .
C5B C6B 1.383(12) .
C6B H6B 0.9500 .
C6B N1B 1.330(12) .
O1C C1C 1.238(10) .
O2C C1C 1.262(11) .
C1C C2C 1.500(12) .
C2C C3C 1.366(15) .
C2C C5C 1.391(15) .
C3C H3C 0.9500 .
C3C C4C 1.383(17) .
C4C H4C 0.9500 .
C4C N1C 1.355(16) .
C5C H5C 0.9500 .
C5C C6C 1.397(16) .
C6C H6C 0.9500 .
C6C N1C 1.349(16) .
O1D C1D 1.257(6) .
O2D C1D 1.250(8) .
O2D' C1D 1.279(8) .
C1D C2D 1.494(10) .
C2D C3D 1.388(10) .
C2D C5D 1.365(11) .
C3D H3D 0.9500 .
C3D C4D 1.365(10) .
C4D H4D 0.9500 .
C4D N1D 1.323(11) .
C5D H5D 0.9500 .
C5D C6D 1.368(11) .
C6D H6D 0.9500 .
C6D N1D 1.360(11) .
O10W O10W 1.76(7) 3_676
