# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit74Pr
_database_code_depnum_ccdc_archive 'CCDC 1904278'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H44 N10 O24 Pr4 Re6 S8'
_chemical_formula_weight         2866.07

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'
Pr Pr -0.2180 2.8214 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.7792(7)
_cell_length_b                   12.6008(3)
_cell_length_c                   23.8919(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.325(3)
_cell_angle_gamma                90
_cell_volume                     6388.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    16443
_cell_measurement_theta_min      3.69
_cell_measurement_theta_max      28.39

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.980
_exptl_crystal_F_000             5200
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    14.640
_shelx_estimated_absorpt_T_min   0.158
_shelx_estimated_absorpt_T_max   0.190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.58606
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            35925
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.303
_diffrn_reflns_theta_max         28.714
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.854
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.854
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             14107
_reflns_number_gt                12296
_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.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0291P)²+64.7300P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14107
_refine_ls_number_parameters     825
_refine_ls_number_restraints     318
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0721
_refine_ls_wR_factor_gt          0.0697
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.002
_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
Re1 Re 0.30826(2) 1.09188(2) 0.57254(2) 0.01140(6) Uani 1 1 d . . . . .
Re2 Re 0.33052(2) 1.29302(2) 0.58863(2) 0.01195(6) Uani 1 1 d . . . . .
Re3 Re 0.23137(2) 1.33490(2) 0.49476(2) 0.01277(6) Uani 1 1 d . . . . .
Re4 Re 0.20938(2) 1.13271(2) 0.47853(2) 0.01295(6) Uani 1 1 d . . . . .
Re5 Re 0.31778(2) 1.20835(2) 0.48604(2) 0.01275(6) Uani 1 1 d . . . . .
Re6 Re 0.22213(2) 1.21870(2) 0.58115(2) 0.01176(6) Uani 1 1 d . . . . .
S1 S 0.40559(8) 1.17052(14) 0.57658(8) 0.0165(3) Uani 1 1 d . . . . .
S2 S 0.33459(8) 1.39525(14) 0.50538(8) 0.0177(4) Uani 1 1 d . . . . .
S3 S 0.22229(8) 1.24585(15) 0.40284(7) 0.0185(4) Uani 1 1 d . . . . .
S4 S 0.29373(8) 1.02203(14) 0.47452(7) 0.0177(4) Uani 1 1 d . . . . .
S5 S 0.31754(8) 1.18070(14) 0.66444(7) 0.0160(3) Uani 1 1 d . . . . .
S6 S 0.24728(8) 1.40428(14) 0.59320(8) 0.0166(3) Uani 1 1 d . . . . .
S7 S 0.13441(8) 1.25581(15) 0.49070(8) 0.0173(4) Uani 1 1 d . . . . .
S8 S 0.20463(8) 1.03218(14) 0.56245(7) 0.0161(3) Uani 1 1 d . . . . .
C1 C 0.3515(3) 0.9534(6) 0.6205(3) 0.0180(15) Uani 1 1 d . . . . .
N1 N 0.3732(3) 0.8813(5) 0.6495(3) 0.0229(14) Uani 1 1 d . . . . .
C2 C 0.4002(3) 1.3829(6) 0.6531(3) 0.0202(15) Uani 1 1 d . . . . .
N2 N 0.4375(3) 1.4303(5) 0.6893(3) 0.0264(15) Uani 1 1 d . . . . .
C3 C 0.1863(3) 1.4760(6) 0.4512(3) 0.0196(15) Uani 1 1 d . . . . .
N3 N 0.1606(3) 1.5499(5) 0.4276(3) 0.0266(15) Uani 1 1 d . . . . .
C4 C 0.1401(3) 1.0381(6) 0.4156(3) 0.0205(15) Uani 1 1 d . . . . .
N4 N 0.1025(3) 0.9886(6) 0.3809(3) 0.0283(15) Uani 1 1 d . . . . .
C5 C 0.3740(4) 1.2069(6) 0.4320(3) 0.0226(16) Uani 1 1 d . . . . .
N5 N 0.4049(4) 1.2110(6) 0.4037(3) 0.0353(18) Uani 1 1 d . . . . .
C6 C 0.1673(3) 1.2277(6) 0.6359(3) 0.0172(14) Uani 1 1 d . . . . .
N6 N 0.1387(3) 1.2333(5) 0.6666(3) 0.0237(14) Uani 1 1 d . . . . .
Pr1 Pr 0.40252(2) 0.76494(3) 0.74555(2) 0.01355(8) Uani 1 1 d . . . . .
Pr2 Pr 0.51329(2) 0.53318(3) 0.77823(2) 0.01479(8) Uani 1 1 d . . . . .
Pr3 Pr 0.53689(2) 0.76046(3) 0.67322(2) 0.01878(9) Uani 1 1 d . . . . .
Pr4 Pr 0.58728(2) 0.81428(3) 0.84276(2) 0.01780(9) Uani 1 1 d . . . . .
O1 O 0.4590(2) 0.6589(4) 0.6961(2) 0.0167(10) Uani 1 1 d . . . . .
H1 H 0.429556 0.621660 0.659765 0.020 Uiso 1 1 calc R U . . .
O2 O 0.4960(2) 0.6967(4) 0.8270(2) 0.0153(10) Uani 1 1 d . . . . .
H2 H 0.488122 0.682445 0.864781 0.018 Uiso 1 1 calc R U . . .
O3 O 0.5027(2) 0.8485(4) 0.7450(2) 0.0185(10) Uani 1 1 d . . . . .
H3 H 0.497084 0.926365 0.736584 0.022 Uiso 1 1 calc R U . . .
O4 O 0.5833(2) 0.6730(4) 0.7732(2) 0.0179(10) Uani 1 1 d . . . . .
H4 H 0.626364 0.644869 0.779989 0.021 Uiso 1 1 calc R U . . .
O1M O 0.3208(3) 0.6577(5) 0.6586(3) 0.0326(14) Uani 1 1 d . . . . .
O2M O 0.5471(14) 0.336(2) 0.7902(12) 0.064(6) Uani 0.5 1 d . U P A 1
O2M' O 0.5265(14) 0.336(2) 0.8096(12) 0.065(6) Uani 0.5 1 d . U P A 2
O3M O 0.5179(4) 0.9511(6) 0.6391(3) 0.055(2) Uani 1 1 d . . . . .
O4M O 0.6925(5) 0.7243(9) 0.8831(5) 0.040(3) Uani 0.688(9) 1 d . U P B 1
O4M' O 0.6999(10) 0.769(2) 0.8637(11) 0.031(4) Uani 0.312(9) 1 d . U P B 2
O5M O 0.6055(3) 0.7317(5) 0.9432(2) 0.0308(13) Uani 1 1 d . . . . .
O6M O 0.4506(4) 0.7399(8) 0.5729(3) 0.072(3) Uani 1 1 d . . . . .
O1A O 0.1101(2) 1.0667(4) 0.7373(2) 0.0241(12) Uani 1 1 d . . . . .
O2A O 0.0572(3) 0.9504(6) 0.6702(3) 0.0442(17) Uani 1 1 d . . . . .
C1A C 0.1079(4) 0.9906(6) 0.7038(3) 0.0252(17) Uani 1 1 d . . . . .
C2A C 0.1685(4) 0.9424(6) 0.7061(3) 0.0243(16) Uani 1 1 d . U . . .
C3A C 0.2232(4) 0.9998(6) 0.7280(4) 0.0258(17) Uani 1 1 d . . . . .
H3A H 0.222366 1.071592 0.739807 0.031 Uiso 1 1 calc R U . . .
C4A C 0.2805(4) 0.9519(6) 0.7329(3) 0.0245(17) Uani 1 1 d . . . . .
H4A H 0.318060 0.993024 0.746973 0.029 Uiso 1 1 calc R U . . .
C5A C 0.1716(4) 0.8389(7) 0.6888(4) 0.0346(18) Uani 1 1 d . U . . .
H5A H 0.134302 0.797555 0.672662 0.042 Uiso 1 1 calc R U . . .
C6A C 0.2300(4) 0.7957(8) 0.6954(4) 0.040(2) Uani 1 1 d . U . . .
H6A H 0.231547 0.724384 0.683102 0.048 Uiso 1 1 calc R U . . .
N1A N 0.2839(3) 0.8499(5) 0.7182(3) 0.0249(14) Uani 1 1 d . . . . .
O1B O 0.4196(2) 0.9246(4) 0.8065(2) 0.0241(12) Uani 1 1 d . . . . .
O2B O 0.5202(3) 0.9383(5) 0.8663(3) 0.0352(15) Uani 1 1 d . . . . .
C1B C 0.4622(3) 0.9583(6) 0.8518(4) 0.0245(17) Uani 1 1 d . . . . .
C2B C 0.4450(4) 1.0292(7) 0.8939(4) 0.0312(19) Uani 1 1 d . . . . .
C3B C 0.3849(4) 1.0358(7) 0.8916(4) 0.033(2) Uani 1 1 d . . . . .
H3B H 0.352103 0.998359 0.861689 0.039 Uiso 1 1 calc R U . . .
C4B C 0.3717(5) 1.0978(8) 0.9334(4) 0.040(2) Uani 1 1 d . . . . .
H4B H 0.329460 1.101339 0.931892 0.048 Uiso 1 1 calc R U . . .
C5B C 0.4925(5) 1.0851(10) 0.9384(5) 0.060(3) Uani 1 1 d . . . . .
H5B H 0.535260 1.080880 0.941577 0.072 Uiso 1 1 calc R U . . .
C6B C 0.4751(5) 1.1464(11) 0.9775(6) 0.067(4) Uani 1 1 d . . . . .
H6B H 0.506664 1.186166 1.007314 0.080 Uiso 1 1 calc R U . . .
N1B N 0.4157(4) 1.1525(7) 0.9754(4) 0.049(2) Uani 1 1 d . . . . .
O1C O 0.5730(3) 0.4633(6) 0.7219(4) 0.0530(16) Uani 1 1 d D U . . .
O2C O 0.5682(4) 0.5870(6) 0.6515(3) 0.0570(17) Uani 1 1 d D U . . .
C1C C 0.5826(5) 0.4986(8) 0.6772(4) 0.0631(18) Uani 1 1 d D U . . .
C2C C 0.6280(5) 0.4287(11) 0.6585(5) 0.073(2) Uani 0.688(9) 1 d D U P B 1
C3C C 0.6369(6) 0.3236(13) 0.6786(6) 0.075(2) Uani 0.688(9) 1 d D U P B 1
H3C H 0.615649 0.296102 0.703079 0.090 Uiso 0.688(9) 1 calc R U P B 1
C4C C 0.6778(7) 0.2607(12) 0.6617(7) 0.077(2) Uani 0.688(9) 1 d D U P B 1
H4C H 0.684486 0.189043 0.674953 0.092 Uiso 0.688(9) 1 calc R U P B 1
C5C C 0.6592(7) 0.4704(12) 0.6224(7) 0.075(2) Uani 0.688(9) 1 d D U P B 1
H5C H 0.652962 0.541918 0.608966 0.090 Uiso 0.688(9) 1 calc R U P B 1
C6C C 0.6995(7) 0.4036(13) 0.6070(7) 0.076(2) Uani 0.688(9) 1 d D U P B 1
H6C H 0.721216 0.430099 0.582615 0.092 Uiso 0.688(9) 1 calc R U P B 1
N1C N 0.7086(6) 0.3001(11) 0.6263(6) 0.076(2) Uani 0.688(9) 1 d D U P B 1
C2C' C 0.6090(9) 0.413(2) 0.6461(7) 0.073(2) Uani 0.312(9) 1 d D U P B 2
C3C' C 0.5958(13) 0.303(2) 0.6452(12) 0.075(2) Uani 0.312(9) 1 d D U P B 2
H3C' H 0.568982 0.276880 0.664589 0.090 Uiso 0.312(9) 1 calc R U P B 2
C4C' C 0.6224(15) 0.2338(18) 0.6156(14) 0.078(3) Uani 0.312(9) 1 d D U P B 2
H4C' H 0.613486 0.160029 0.614834 0.093 Uiso 0.312(9) 1 calc R U P B 2
C5C' C 0.6490(13) 0.4496(17) 0.6170(13) 0.075(2) Uani 0.312(9) 1 d D U P B 2
H5C' H 0.658415 0.523080 0.617130 0.090 Uiso 0.312(9) 1 calc R U P B 2
C6C' C 0.6747(14) 0.377(2) 0.5880(14) 0.076(2) Uani 0.312(9) 1 d D U P B 2
H6C' H 0.701681 0.401839 0.568481 0.092 Uiso 0.312(9) 1 calc R U P B 2
N1C' N 0.6615(13) 0.271(2) 0.5874(11) 0.078(2) Uani 0.312(9) 1 d D U P B 2
O1D O 0.6349(3) 0.8433(5) 0.7299(3) 0.0468(18) Uani 1 1 d . . . . .
O2D O 0.6324(3) 0.9614(6) 0.7983(3) 0.054(2) Uani 1 1 d . . . . .
C1D C 0.6530(4) 0.9270(7) 0.7591(4) 0.0330(17) Uani 1 1 d . U . . .
C2D C 0.7022(4) 0.9918(7) 0.7468(4) 0.0347(15) Uani 1 1 d . U . . .
C3D C 0.7238(4) 0.9614(8) 0.7022(4) 0.0381(16) Uani 1 1 d . U . . .
H3D H 0.706803 0.900541 0.678347 0.046 Uiso 1 1 calc R U . . .
C4D C 0.7696(5) 1.0194(8) 0.6926(4) 0.0453(17) Uani 1 1 d . U . . .
H4D H 0.785093 0.995557 0.662911 0.054 Uiso 1 1 calc R U . . .
C5D C 0.7276(5) 1.0787(8) 0.7795(5) 0.0504(18) Uani 1 1 d . U . . .
H5D H 0.715136 1.100083 0.811682 0.060 Uiso 1 1 calc R U . . .
C6D C 0.7715(6) 1.1354(10) 0.7658(5) 0.062(2) Uani 1 1 d . U . . .
H6D H 0.787469 1.198494 0.787846 0.074 Uiso 1 1 calc R U . . .
N1D N 0.7936(5) 1.1067(7) 0.7223(4) 0.0576(17) Uani 1 1 d . U . . .
O1W O 0.4828(4) 1.0750(6) 0.7195(3) 0.058(2) Uani 1 1 d . . . . .
O2W O 0.5114(5) 0.6043(7) 0.9478(4) 0.074(3) Uani 1 1 d . . . . .
O3W O 0.3284(5) 0.6567(8) 0.5509(4) 0.082(3) Uani 1 1 d . . . . .
O4W O -0.0020(5) 0.8844(9) 0.5582(4) 0.089(3) Uani 1 1 d . . . . .
O5W O 0.5750(5) 0.1393(8) 0.8307(5) 0.026(2) Uani 0.5 1 d . U P . .
O6W O 0.7324(7) 0.7136(11) 1.0190(7) 0.078(4) Uani 0.688(9) 1 d . U P B 1
O7W O 0.7378(14) 0.712(2) 0.9871(14) 0.062(5) Uiso 0.312(9) 1 d . U P B 2
O8W O 0.4545(9) 0.9584(16) 0.5108(8) 0.088(6) Uani 0.5 1 d . U P . .


_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
Re1 Re2 2.5859(4) . yes
Re1 Re4 2.5890(4) . yes
Re1 Re5 2.6071(4) . yes
Re1 Re6 2.5960(4) . yes
Re1 S1 2.3981(17) . yes
Re1 S4 2.4093(17) . yes
Re1 S5 2.4044(17) . yes
Re1 S8 2.4048(17) . yes
Re1 C1 2.123(7) . yes
Re2 Re3 2.5934(4) . yes
Re2 Re5 2.5908(4) . yes
Re2 Re6 2.5854(4) . yes
Re2 S1 2.3975(17) . yes
Re2 S2 2.3996(17) . yes
Re2 S5 2.4002(17) . yes
Re2 S6 2.3924(17) . yes
Re2 C2 2.097(7) . yes
Re3 Re4 2.5982(4) . yes
Re3 Re5 2.5997(4) . yes
Re3 Re6 2.6007(4) . yes
Re3 S2 2.3954(17) . yes
Re3 S3 2.4073(17) . yes
Re3 S6 2.4099(17) . yes
Re3 S7 2.3927(17) . yes
Re3 C3 2.127(8) . yes
Re4 Re5 2.5913(4) . yes
Re4 Re6 2.5983(4) . yes
Re4 S3 2.4034(17) . yes
Re4 S4 2.4041(18) . yes
Re4 S7 2.4018(18) . yes
Re4 S8 2.4071(17) . yes
Re4 C4 2.109(7) . yes
Re5 S1 2.4001(17) . yes
Re5 S2 2.4037(18) . yes
Re5 S3 2.4003(17) . yes
Re5 S4 2.4038(18) . yes
Re5 C5 2.123(7) . yes
Re6 S5 2.4016(17) . yes
Re6 S6 2.4000(18) . yes
Re6 S7 2.3960(17) . yes
Re6 S8 2.3985(18) . yes
Re6 C6 2.114(7) . yes
C1 N1 1.140(9) . ?
N1 Pr1 2.598(6) . yes
C2 N2 1.137(9) . ?
N2 Pr2 2.551(6) 1_565 yes
C3 N3 1.134(9) . ?
N3 Pr4 2.714(6) 4_585 yes
C4 N4 1.137(9) . ?
N4 Pr2 2.569(6) 4_575 yes
C5 N5 1.140(10) . ?
N5 Pr3 2.654(7) 3_676 yes
C6 N6 1.147(9) . ?
N6 Pr1 2.623(6) 2_556 yes
Pr1 Pr2 3.7513(5) . yes
Pr1 Pr3 4.0257(5) . yes
Pr1 Pr4 4.0479(6) . yes
Pr1 O1 2.439(5) . yes
Pr1 O2 2.459(5) . yes
Pr1 O3 2.518(5) . yes
Pr1 O1M 2.606(5) . yes
Pr1 O1A 2.564(5) 2_546 yes
Pr1 N1A 2.754(6) . yes
Pr1 O1B 2.431(5) . yes
Pr2 O1 2.475(5) . yes
Pr2 O2 2.467(5) . yes
Pr2 O4 2.408(5) . yes
Pr2 O2M 2.58(3) . yes
Pr2 O2M' 2.58(3) . yes
Pr2 O1A 2.732(5) 2_546 yes
Pr2 O2A 2.572(6) 2_546 yes
Pr2 C1A 2.994(8) 2_546 yes
Pr2 O1C 2.401(6) . yes
Pr3 Pr4 3.8475(6) . yes
Pr3 O1 2.405(5) . yes
Pr3 O3 2.398(5) . yes
Pr3 O4 2.491(5) . yes
Pr3 O3M 2.523(7) . yes
Pr3 O6M 2.500(7) . yes
Pr3 O2C 2.413(7) . yes
Pr3 O1D 2.390(6) . yes
Pr4 O2 2.467(5) . yes
Pr4 O3 2.466(5) . yes
Pr4 O4 2.414(5) . yes
Pr4 O4M 2.506(11) . yes
Pr4 O4M' 2.49(2) . yes
Pr4 O5M 2.507(6) . yes
Pr4 O2B 2.391(6) . yes
Pr4 O2D 2.533(7) . yes
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.240(9) . ?
O2A C1A 1.250(10) . ?
C1A C2A 1.490(11) . ?
C2A C3A 1.369(11) . ?
C2A C5A 1.377(12) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.404(10) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.342(10) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.393(11) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.337(11) . ?
O1B C1B 1.236(9) . ?
O2B C1B 1.265(9) . ?
C1B C2B 1.499(11) . ?
C2B C3B 1.355(11) . ?
C2B C5B 1.401(12) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.384(11) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.325(12) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.377(13) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.338(13) . ?
O1C C1C 1.247(8) . ?
O2C C1C 1.258(8) . ?
C1C C2C 1.543(17) . ?
C1C C2C' 1.554(18) . ?
C2C C3C 1.398(13) . ?
C2C C5C 1.402(13) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.389(15) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.376(14) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.391(15) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.374(14) . ?
C2C' C3C' 1.410(14) . ?
C2C' C5C' 1.412(14) . ?
C3C' H3C' 0.9500 . ?
C3C' C4C' 1.395(16) . ?
C4C' H4C' 0.9500 . ?
C4C' N1C' 1.376(15) . ?
C5C' H5C' 0.9500 . ?
C5C' C6C' 1.395(16) . ?
C6C' H6C' 0.9500 . ?
C6C' N1C' 1.376(15) . ?
O1D C1D 1.249(11) . ?
O2D C1D 1.266(11) . ?
C1D C2D 1.500(11) . ?
C2D C3D 1.380(11) . ?
C2D C5D 1.348(12) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.358(12) . ?
C4D H4D 0.9500 . ?
C4D N1D 1.315(12) . ?
C5D H5D 0.9500 . ?
C5D C6D 1.361(14) . ?
C6D H6D 0.9500 . ?
C6D N1D 1.359(13) . ?

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
Re2 Re1 Re4 89.764(12) . . ?
Re2 Re1 Re5 59.853(10) . . ?
Re2 Re1 Re6 59.857(10) . . ?
Re4 Re1 Re5 59.826(10) . . ?
Re4 Re1 Re6 60.148(10) . . ?
Re6 Re1 Re5 89.963(12) . . ?
S1 Re1 Re2 57.36(4) . . ?
S1 Re1 Re4 116.92(4) . . ?
S1 Re1 Re5 57.13(4) . . ?
S1 Re1 Re6 117.18(4) . . ?
S1 Re1 S4 89.33(6) . . ?
S1 Re1 S5 89.88(6) . . ?
S1 Re1 S8 173.11(6) . . ?
S4 Re1 Re2 116.92(4) . . ?
S4 Re1 Re4 57.36(4) . . ?
S4 Re1 Re5 57.10(4) . . ?
S4 Re1 Re6 117.47(4) . . ?
S5 Re1 Re2 57.36(4) . . ?
S5 Re1 Re4 117.36(4) . . ?
S5 Re1 Re5 117.18(4) . . ?
S5 Re1 Re6 57.25(4) . . ?
S5 Re1 S4 173.26(6) . . ?
S5 Re1 S8 89.67(6) . . ?
S8 Re1 Re2 116.98(4) . . ?
S8 Re1 Re4 57.49(4) . . ?
S8 Re1 Re5 117.27(4) . . ?
S8 Re1 Re6 57.17(4) . . ?
S8 Re1 S4 90.31(6) . . ?
C1 Re1 Re2 134.25(19) . . ?
C1 Re1 Re4 135.9(2) . . ?
C1 Re1 Re5 137.31(19) . . ?
C1 Re1 Re6 132.71(19) . . ?
C1 Re1 S1 94.5(2) . . ?
C1 Re1 S4 95.61(19) . . ?
C1 Re1 S5 91.12(19) . . ?
C1 Re1 S8 92.4(2) . . ?
Re1 Re2 Re3 90.506(12) . . ?
Re1 Re2 Re5 60.479(10) . . ?
Re5 Re2 Re3 60.194(10) . . ?
Re6 Re2 Re1 60.264(10) . . ?
Re6 Re2 Re3 60.290(10) . . ?
Re6 Re2 Re5 90.559(12) . . ?
S1 Re2 Re1 57.38(4) . . ?
S1 Re2 Re3 117.52(4) . . ?
S1 Re2 Re5 57.36(4) . . ?
S1 Re2 Re6 117.61(4) . . ?
S1 Re2 S2 90.10(6) . . ?
S1 Re2 S5 90.00(6) . . ?
S2 Re2 Re1 117.87(5) . . ?
S2 Re2 Re3 57.18(4) . . ?
S2 Re2 Re5 57.43(4) . . ?
S2 Re2 Re6 117.45(4) . . ?
S2 Re2 S5 174.02(6) . . ?
S5 Re2 Re1 57.52(4) . . ?
S5 Re2 Re3 117.71(4) . . ?
S5 Re2 Re5 117.96(4) . . ?
S5 Re2 Re6 57.45(4) . . ?
S6 Re2 Re1 117.73(4) . . ?
S6 Re2 Re3 57.64(4) . . ?
S6 Re2 Re5 117.81(4) . . ?
S6 Re2 Re6 57.49(4) . . ?
S6 Re2 S1 174.02(6) . . ?
S6 Re2 S2 89.63(6) . . ?
S6 Re2 S5 89.65(6) . . ?
C2 Re2 Re1 133.9(2) . . ?
C2 Re2 Re3 135.6(2) . . ?
C2 Re2 Re5 135.4(2) . . ?
C2 Re2 Re6 134.0(2) . . ?
C2 Re2 S1 93.1(2) . . ?
C2 Re2 S2 94.1(2) . . ?
C2 Re2 S5 91.8(2) . . ?
C2 Re2 S6 92.9(2) . . ?
Re2 Re3 Re4 89.400(12) . . ?
Re2 Re3 Re5 59.855(10) . . ?
Re2 Re3 Re6 59.702(10) . . ?
Re4 Re3 Re5 59.805(10) . . ?
Re4 Re3 Re6 59.971(10) . . ?
Re5 Re3 Re6 90.021(12) . . ?
S2 Re3 Re2 57.34(4) . . ?
S2 Re3 Re4 117.10(5) . . ?
S2 Re3 Re5 57.35(4) . . ?
S2 Re3 Re6 117.02(4) . . ?
S2 Re3 S3 90.00(6) . . ?
S2 Re3 S6 89.31(6) . . ?
S3 Re3 Re2 116.94(4) . . ?
S3 Re3 Re4 57.24(4) . . ?
S3 Re3 Re5 57.14(4) . . ?
S3 Re3 Re6 117.18(5) . . ?
S3 Re3 S6 172.77(6) . . ?
S6 Re3 Re2 56.99(4) . . ?
S6 Re3 Re4 116.99(4) . . ?
S6 Re3 Re5 116.82(4) . . ?
S6 Re3 Re6 57.08(4) . . ?
S7 Re3 Re2 116.81(4) . . ?
S7 Re3 Re4 57.35(4) . . ?
S7 Re3 Re5 117.12(5) . . ?
S7 Re3 Re6 57.17(4) . . ?
S7 Re3 S2 173.04(6) . . ?
S7 Re3 S3 89.83(6) . . ?
S7 Re3 S6 89.98(6) . . ?
C3 Re3 Re2 135.0(2) . . ?
C3 Re3 Re4 135.6(2) . . ?
C3 Re3 Re5 135.94(19) . . ?
C3 Re3 Re6 134.03(19) . . ?
C3 Re3 S2 93.8(2) . . ?
C3 Re3 S3 94.4(2) . . ?
C3 Re3 S6 92.8(2) . . ?
C3 Re3 S7 93.1(2) . . ?
Re1 Re4 Re3 90.329(12) . . ?
Re1 Re4 Re5 60.433(10) . . ?
Re1 Re4 Re6 60.058(10) . . ?
Re3 Re4 Re6 60.063(10) . . ?
Re5 Re4 Re3 60.126(10) . . ?
Re5 Re4 Re6 90.260(12) . . ?
S3 Re4 Re1 117.70(4) . . ?
S3 Re4 Re3 57.38(4) . . ?
S3 Re4 Re5 57.30(4) . . ?
S3 Re4 Re6 117.41(5) . . ?
S3 Re4 S4 89.76(6) . . ?
S3 Re4 S8 173.62(6) . . ?
S4 Re4 Re1 57.56(4) . . ?
S4 Re4 Re3 117.47(5) . . ?
S4 Re4 Re5 57.38(4) . . ?
S4 Re4 Re6 117.57(4) . . ?
S4 Re4 S8 90.38(6) . . ?
S7 Re4 Re1 117.12(4) . . ?
S7 Re4 Re3 57.02(4) . . ?
S7 Re4 Re5 117.11(4) . . ?
S7 Re4 Re6 57.10(4) . . ?
S7 Re4 S3 89.71(6) . . ?
S7 Re4 S4 173.35(6) . . ?
S7 Re4 S8 89.41(6) . . ?
S8 Re4 Re1 57.41(4) . . ?
S8 Re4 Re3 117.15(4) . . ?
S8 Re4 Re5 117.79(4) . . ?
S8 Re4 Re6 57.11(4) . . ?
C4 Re4 Re1 134.1(2) . . ?
C4 Re4 Re3 135.6(2) . . ?
C4 Re4 Re5 134.8(2) . . ?
C4 Re4 Re6 135.0(2) . . ?
C4 Re4 S3 93.6(2) . . ?
C4 Re4 S4 92.6(2) . . ?
C4 Re4 S7 94.1(2) . . ?
C4 Re4 S8 92.8(2) . . ?
Re2 Re5 Re1 59.667(10) . . ?
Re2 Re5 Re3 59.951(10) . . ?
Re2 Re5 Re4 89.607(12) . . ?
Re3 Re5 Re1 89.897(11) . . ?
Re4 Re5 Re1 59.740(10) . . ?
Re4 Re5 Re3 60.068(11) . . ?
S1 Re5 Re1 57.05(4) . . ?
S1 Re5 Re2 57.27(4) . . ?
S1 Re5 Re3 117.18(4) . . ?
S1 Re5 Re4 116.76(4) . . ?
S1 Re5 S2 89.95(6) . . ?
S1 Re5 S3 173.10(6) . . ?
S1 Re5 S4 89.41(6) . . ?
S2 Re5 Re1 116.91(4) . . ?
S2 Re5 Re2 57.28(4) . . ?
S2 Re5 Re3 57.05(4) . . ?
S2 Re5 Re4 117.06(4) . . ?
S2 Re5 S4 173.07(6) . . ?
S3 Re5 Re1 117.12(4) . . ?
S3 Re5 Re2 117.29(4) . . ?
S3 Re5 Re3 57.39(4) . . ?
S3 Re5 Re4 57.41(4) . . ?
S3 Re5 S2 89.97(6) . . ?
S3 Re5 S4 89.84(6) . . ?
S4 Re5 Re1 57.30(4) . . ?
S4 Re5 Re2 116.94(4) . . ?
S4 Re5 Re3 117.43(4) . . ?
S4 Re5 Re4 57.39(4) . . ?
C5 Re5 Re1 136.0(2) . . ?
C5 Re5 Re2 133.9(2) . . ?
C5 Re5 Re3 134.1(2) . . ?
C5 Re5 Re4 136.5(2) . . ?
C5 Re5 S1 93.3(2) . . ?
C5 Re5 S2 92.1(2) . . ?
C5 Re5 S3 93.6(2) . . ?
C5 Re5 S4 94.8(2) . . ?
Re1 Re6 Re3 90.120(11) . . ?
Re1 Re6 Re4 59.794(10) . . ?
Re2 Re6 Re1 59.879(10) . . ?
Re2 Re6 Re3 60.007(10) . . ?
Re2 Re6 Re4 89.572(12) . . ?
Re4 Re6 Re3 59.966(10) . . ?
S5 Re6 Re1 57.36(4) . . ?
S5 Re6 Re2 57.40(4) . . ?
S5 Re6 Re3 117.38(4) . . ?
S5 Re6 Re4 117.11(4) . . ?
S6 Re6 Re1 117.07(4) . . ?
S6 Re6 Re2 57.21(4) . . ?
S6 Re6 Re3 57.45(4) . . ?
S6 Re6 Re4 117.35(4) . . ?
S6 Re6 S5 89.44(6) . . ?
S7 Re6 Re1 117.08(4) . . ?
S7 Re6 Re2 117.00(4) . . ?
S7 Re6 Re3 57.04(4) . . ?
S7 Re6 Re4 57.32(4) . . ?
S7 Re6 S5 173.17(6) . . ?
S7 Re6 S6 90.14(6) . . ?
S7 Re6 S8 89.75(6) . . ?
S8 Re6 Re1 57.40(4) . . ?
S8 Re6 Re2 117.24(4) . . ?
S8 Re6 Re3 117.37(4) . . ?
S8 Re6 Re4 57.43(4) . . ?
S8 Re6 S5 89.89(6) . . ?
S8 Re6 S6 173.42(6) . . ?
C6 Re6 Re1 135.7(2) . . ?
C6 Re6 Re2 134.57(19) . . ?
C6 Re6 Re3 134.2(2) . . ?
C6 Re6 Re4 135.86(19) . . ?
C6 Re6 S5 93.33(19) . . ?
C6 Re6 S6 92.4(2) . . ?
C6 Re6 S7 93.50(19) . . ?
C6 Re6 S8 94.1(2) . . ?
Re1 S1 Re5 65.82(4) . . ?
Re2 S1 Re1 65.26(4) . . ?
Re2 S1 Re5 65.37(4) . . ?
Re2 S2 Re5 65.28(5) . . ?
Re3 S2 Re2 65.48(4) . . ?
Re3 S2 Re5 65.60(5) . . ?
Re4 S3 Re3 65.38(4) . . ?
Re5 S3 Re3 65.47(4) . . ?
Re5 S3 Re4 65.29(4) . . ?
Re4 S4 Re1 65.08(4) . . ?
Re5 S4 Re1 65.59(5) . . ?
Re5 S4 Re4 65.23(5) . . ?
Re2 S5 Re1 65.13(4) . . ?
Re2 S5 Re6 65.15(4) . . ?
Re6 S5 Re1 65.39(4) . . ?
Re2 S6 Re3 65.37(4) . . ?
Re2 S6 Re6 65.30(5) . . ?
Re6 S6 Re3 65.46(5) . . ?
Re3 S7 Re4 65.63(4) . . ?
Re3 S7 Re6 65.79(4) . . ?
Re6 S7 Re4 65.58(4) . . ?
Re1 S8 Re4 65.10(4) . . ?
Re6 S8 Re1 65.43(5) . . ?
Re6 S8 Re4 65.46(5) . . ?
N1 C1 Re1 175.1(6) . . ?
C1 N1 Pr1 154.3(6) . . ?
N2 C2 Re2 178.1(7) . . ?
C2 N2 Pr2 173.2(6) . 1_565 ?
N3 C3 Re3 178.1(7) . . ?
C3 N3 Pr4 162.7(6) . 4_585 ?
N4 C4 Re4 178.7(7) . . ?
C4 N4 Pr2 151.6(6) . 4_575 ?
N5 C5 Re5 176.7(8) . . ?
C5 N5 Pr3 171.3(7) . 3_676 ?
N6 C6 Re6 178.5(6) . . ?
C6 N6 Pr1 166.7(6) . 2_556 ?
N1 Pr1 N6 137.8(2) . 2_546 ?
N1 Pr1 Pr2 124.09(14) . . ?
N1 Pr1 Pr3 67.66(14) . . ?
N1 Pr1 Pr4 107.45(14) . . ?
N1 Pr1 O1M 73.1(2) . . ?
N1 Pr1 N1A 69.90(19) . . ?
N6 Pr1 Pr2 97.17(14) 2_546 . ?
N6 Pr1 Pr3 152.97(14) 2_546 . ?
N6 Pr1 Pr4 99.45(14) 2_546 . ?
N6 Pr1 N1A 69.09(19) 2_546 . ?
Pr2 Pr1 Pr3 61.282(10) . . ?
Pr2 Pr1 Pr4 61.301(10) . . ?
Pr3 Pr1 Pr4 56.920(9) . . ?
O1 Pr1 N1 83.80(18) . . ?
O1 Pr1 N6 135.29(19) . 2_546 ?
O1 Pr1 Pr2 40.60(11) . . ?
O1 Pr1 Pr3 33.52(12) . . ?
O1 Pr1 Pr4 74.94(11) . . ?
O1 Pr1 O2 74.55(15) . . ?
O1 Pr1 O3 65.62(16) . . ?
O1 Pr1 O1M 71.32(17) . . ?
O1 Pr1 O1A 69.74(17) . 2_546 ?
O1 Pr1 N1A 138.00(17) . . ?
O2 Pr1 N1 140.05(18) . . ?
O2 Pr1 N6 76.89(17) . 2_546 ?
O2 Pr1 Pr2 40.49(11) . . ?
O2 Pr1 Pr3 76.07(11) . . ?
O2 Pr1 Pr4 34.81(11) . . ?
O2 Pr1 O3 67.92(16) . . ?
O2 Pr1 O1M 127.68(17) . . ?
O2 Pr1 O1A 69.42(16) . 2_546 ?
O2 Pr1 N1A 144.71(17) . . ?
O3 Pr1 N1 72.65(18) . . ?
O3 Pr1 N6 131.04(18) . 2_546 ?
O3 Pr1 Pr2 77.55(11) . . ?
O3 Pr1 Pr3 34.06(11) . . ?
O3 Pr1 Pr4 35.26(11) . . ?
O3 Pr1 O1M 126.79(17) . . ?
O3 Pr1 O1A 124.27(16) . 2_546 ?
O3 Pr1 N1A 130.45(18) . . ?
O1M Pr1 N6 101.5(2) . 2_546 ?
O1M Pr1 Pr2 89.64(12) . . ?
O1M Pr1 Pr3 94.88(13) . . ?
O1M Pr1 Pr4 146.02(13) . . ?
O1M Pr1 N1A 69.99(19) . . ?
O1A Pr1 N1 133.07(19) 2_546 . ?
O1A Pr1 N6 68.32(19) 2_546 2_546 ?
O1A Pr1 Pr2 46.74(12) 2_546 . ?
O1A Pr1 Pr3 101.66(12) 2_546 . ?
O1A Pr1 Pr4 102.23(12) 2_546 . ?
O1A Pr1 O1M 62.16(18) 2_546 . ?
O1A Pr1 N1A 105.00(19) 2_546 . ?
N1A Pr1 Pr2 151.57(15) . . ?
N1A Pr1 Pr3 137.47(13) . . ?
N1A Pr1 Pr4 143.30(15) . . ?
O1B Pr1 N1 89.8(2) . . ?
O1B Pr1 N6 70.8(2) . 2_546 ?
O1B Pr1 Pr2 124.79(12) . . ?
O1B Pr1 Pr3 106.73(12) . . ?
O1B Pr1 Pr4 67.82(12) . . ?
O1B Pr1 O1 138.26(17) . . ?
O1B Pr1 O2 84.92(17) . . ?
O1B Pr1 O3 73.09(16) . . ?
O1B Pr1 O1M 144.98(17) . . ?
O1B Pr1 O1A 135.50(17) . 2_546 ?
O1B Pr1 N1A 75.52(19) . . ?
N2 Pr2 N4 143.3(2) 1_545 4_676 ?
N2 Pr2 Pr1 91.26(15) 1_545 . ?
N2 Pr2 O2M 71.8(7) 1_545 . ?
N2 Pr2 O2M' 74.1(7) 1_545 . ?
N2 Pr2 O1A 67.29(19) 1_545 2_546 ?
N2 Pr2 O2A 80.9(2) 1_545 2_546 ?
N2 Pr2 C1A 69.4(2) 1_545 2_546 ?
N4 Pr2 Pr1 121.39(16) 4_676 . ?
N4 Pr2 O2M 72.0(7) 4_676 . ?
N4 Pr2 O2M' 69.6(7) 4_676 . ?
N4 Pr2 O1A 124.36(19) 4_676 2_546 ?
N4 Pr2 O2A 85.1(2) 4_676 2_546 ?
N4 Pr2 C1A 107.1(2) 4_676 2_546 ?
O1 Pr2 N2 70.93(19) . 1_545 ?
O1 Pr2 N4 145.0(2) . 4_676 ?
O1 Pr2 Pr1 39.88(11) . . ?
O1 Pr2 O2M 138.2(6) . . ?
O1 Pr2 O2M' 145.0(7) . . ?
O1 Pr2 O1A 66.47(15) . 2_546 ?
O1 Pr2 O2A 114.88(17) . 2_546 ?
O1 Pr2 C1A 90.47(19) . 2_546 ?
O2 Pr2 N2 129.91(18) . 1_545 ?
O2 Pr2 N4 81.09(19) . 4_676 ?
O2 Pr2 Pr1 40.33(10) . . ?
O2 Pr2 O1 73.77(15) . . ?
O2 Pr2 O2M 147.4(6) . . ?
O2 Pr2 O2M' 133.5(5) . . ?
O2 Pr2 O1A 66.56(15) . 2_546 ?
O2 Pr2 O2A 83.0(2) . 2_546 ?
O2 Pr2 C1A 76.62(19) . 2_546 ?
O4 Pr2 N2 126.17(19) . 1_545 ?
O4 Pr2 N4 79.5(2) . 4_676 ?
O4 Pr2 Pr1 80.06(12) . . ?
O4 Pr2 O1 68.95(16) . . ?
O4 Pr2 O2 68.55(16) . . ?
O4 Pr2 O2M 122.1(6) . . ?
O4 Pr2 O2M' 135.2(6) . . ?
O4 Pr2 O1A 123.17(16) . 2_546 ?
O4 Pr2 O2A 149.3(2) . 2_546 ?
O4 Pr2 C1A 143.2(2) . 2_546 ?
O2M Pr2 Pr1 157.2(7) . . ?
O2M Pr2 O1A 114.5(6) . 2_546 ?
O2M Pr2 C1A 93.8(6) . 2_546 ?
O2M' Pr2 Pr1 143.9(6) . . ?
O2M' Pr2 C1A 78.6(6) . 2_546 ?
O1A Pr2 Pr1 43.11(11) 2_546 . ?
O1A Pr2 C1A 24.46(18) 2_546 2_546 ?
O2A Pr2 Pr1 85.73(15) 2_546 . ?
O2A Pr2 O2M 76.7(6) 2_546 . ?
O2A Pr2 O2M' 59.9(5) 2_546 . ?
O2A Pr2 O1A 48.50(18) 2_546 2_546 ?
O2A Pr2 C1A 24.5(2) 2_546 2_546 ?
C1A Pr2 Pr1 65.40(16) 2_546 . ?
O1C Pr2 N2 72.4(2) . 1_545 ?
O1C Pr2 N4 94.8(3) . 4_676 ?
O1C Pr2 Pr1 130.08(19) . . ?
O1C Pr2 O1 90.6(2) . . ?
O1C Pr2 O2 142.2(2) . . ?
O1C Pr2 O4 73.8(2) . . ?
O1C Pr2 O2M 60.2(5) . . ?
O1C Pr2 O2M' 77.3(5) . . ?
O1C Pr2 O1A 138.2(2) . 2_546 ?
O1C Pr2 O2A 134.3(2) . 2_546 ?
O1C Pr2 C1A 139.0(2) . 2_546 ?
N5 Pr3 Pr1 160.95(17) 3_676 . ?
N5 Pr3 Pr2 138.76(17) 3_676 . ?
N5 Pr3 Pr4 132.25(17) 3_676 . ?
Pr2 Pr3 Pr1 55.951(9) . . ?
Pr4 Pr3 Pr1 61.831(10) . . ?
Pr4 Pr3 Pr2 61.253(10) . . ?
O1 Pr3 N5 145.6(2) . 3_676 ?
O1 Pr3 Pr1 34.05(12) . . ?
O1 Pr3 Pr2 36.14(11) . . ?
O1 Pr3 Pr4 79.47(11) . . ?
O1 Pr3 O4 68.75(15) . . ?
O1 Pr3 O3M 121.7(2) . . ?
O1 Pr3 O6M 77.0(2) . . ?
O1 Pr3 O2C 82.4(2) . . ?
O3 Pr3 N5 143.8(2) . 3_676 ?
O3 Pr3 Pr1 36.02(12) . . ?
O3 Pr3 Pr2 74.22(12) . . ?
O3 Pr3 Pr4 38.34(12) . . ?
O3 Pr3 O1 68.03(17) . . ?
O3 Pr3 O4 69.72(16) . . ?
O3 Pr3 O3M 74.24(19) . . ?
O3 Pr3 O6M 112.8(3) . . ?
O3 Pr3 O2C 140.5(2) . . ?
O4 Pr3 N5 125.4(2) . 3_676 ?
O4 Pr3 Pr1 73.62(11) . . ?
O4 Pr3 Pr2 35.16(11) . . ?
O4 Pr3 Pr4 37.62(11) . . ?
O4 Pr3 O3M 134.0(2) . . ?
O4 Pr3 O6M 141.8(2) . . ?
O3M Pr3 N5 73.6(2) . 3_676 ?
O3M Pr3 Pr1 93.31(16) . . ?
O3M Pr3 Pr2 147.59(15) . . ?
O3M Pr3 Pr4 97.04(17) . . ?
O6M Pr3 N5 76.5(3) . 3_676 ?
O6M Pr3 Pr1 87.6(2) . . ?
O6M Pr3 Pr2 106.9(2) . . ?
O6M Pr3 Pr4 149.0(2) . . ?
O6M Pr3 O3M 78.8(3) . . ?
O2C Pr3 N5 73.3(2) . 3_676 ?
O2C Pr3 Pr1 115.80(18) . . ?
O2C Pr3 Pr2 66.49(18) . . ?
O2C Pr3 Pr4 112.81(19) . . ?
O2C Pr3 O4 75.5(2) . . ?
O2C Pr3 O3M 145.3(2) . . ?
O2C Pr3 O6M 83.7(3) . . ?
O1D Pr3 N5 74.6(2) . 3_676 ?
O1D Pr3 Pr1 116.75(18) . . ?
O1D Pr3 Pr2 105.66(17) . . ?
O1D Pr3 Pr4 57.76(18) . . ?
O1D Pr3 O1 135.9(2) . . ?
O1D Pr3 O3 82.6(2) . . ?
O1D Pr3 O4 70.5(2) . . ?
O1D Pr3 O3M 77.4(2) . . ?
O1D Pr3 O6M 146.7(3) . . ?
O1D Pr3 O2C 103.2(3) . . ?
N3 Pr4 Pr1 139.00(14) 4_686 . ?
N3 Pr4 Pr2 155.30(15) 4_686 . ?
N3 Pr4 Pr3 139.84(15) 4_686 . ?
Pr2 Pr4 Pr1 55.677(9) . . ?
Pr3 Pr4 Pr1 61.249(10) . . ?
Pr3 Pr4 Pr2 60.898(10) . . ?
O2 Pr4 N3 138.47(18) . 4_686 ?
O2 Pr4 Pr1 34.68(11) . . ?
O2 Pr4 Pr2 36.16(11) . . ?
O2 Pr4 Pr3 79.68(10) . . ?
O2 Pr4 O4M 115.0(3) . . ?
O2 Pr4 O4M' 130.0(6) . . ?
O2 Pr4 O5M 74.59(17) . . ?
O2 Pr4 O2D 145.38(19) . . ?
O3 Pr4 N3 130.83(19) . 4_686 ?
O3 Pr4 Pr1 36.12(11) . . ?
O3 Pr4 Pr2 73.40(12) . . ?
O3 Pr4 Pr3 37.10(11) . . ?
O3 Pr4 O2 68.63(16) . . ?
O3 Pr4 O4M 138.8(3) . . ?
O3 Pr4 O4M' 128.5(6) . . ?
O3 Pr4 O5M 141.21(18) . . ?
O3 Pr4 O2D 76.7(2) . . ?
O4 Pr4 N3 146.92(18) . 4_686 ?
O4 Pr4 Pr1 73.78(11) . . ?
O4 Pr4 Pr2 34.24(11) . . ?
O4 Pr4 Pr3 39.04(12) . . ?
O4 Pr4 O2 68.46(16) . . ?
O4 Pr4 O3 69.89(16) . . ?
O4 Pr4 O4M 73.9(3) . . ?
O4 Pr4 O4M' 75.5(5) . . ?
O4 Pr4 O5M 107.69(17) . . ?
O4 Pr4 O2D 99.8(2) . . ?
O4M Pr4 N3 75.8(3) . 4_686 ?
O4M Pr4 Pr1 143.2(2) . . ?
O4M Pr4 Pr2 87.6(3) . . ?
O4M Pr4 Pr3 101.7(3) . . ?
O4M Pr4 O5M 69.0(3) . . ?
O4M Pr4 O2D 90.9(3) . . ?
O4M' Pr4 Pr1 149.3(5) . . ?
O4M' Pr4 Pr2 97.8(6) . . ?
O4M' Pr4 Pr3 93.6(5) . . ?
O4M' Pr4 O5M 85.1(6) . . ?
O4M' Pr4 O2D 72.9(6) . . ?
O5M Pr4 N3 72.8(2) . 4_686 ?
O5M Pr4 Pr1 105.13(14) . . ?
O5M Pr4 Pr2 84.30(13) . . ?
O5M Pr4 Pr3 144.71(13) . . ?
O5M Pr4 O2D 138.9(2) . . ?
O2B Pr4 N3 71.63(19) . 4_686 ?
O2B Pr4 Pr1 67.38(13) . . ?
O2B Pr4 Pr2 117.11(14) . . ?
O2B Pr4 Pr3 113.02(14) . . ?
O2B Pr4 O2 81.60(18) . . ?
O2B Pr4 O3 76.24(18) . . ?
O2B Pr4 O4 140.92(17) . . ?
O2B Pr4 O4M 144.0(3) . . ?
O2B Pr4 O4M' 143.1(6) . . ?
O2B Pr4 O5M 86.8(2) . . ?
O2B Pr4 O2D 90.6(2) . . ?
O2D Pr4 N3 67.6(2) . 4_686 ?
O2D Pr4 Pr1 111.55(17) . . ?
O2D Pr4 Pr2 131.87(16) . . ?
O2D Pr4 Pr3 72.45(15) . . ?
Pr1 O1 Pr2 99.52(16) . . ?
Pr1 O1 H1 111.8 . . ?
Pr2 O1 H1 111.8 . . ?
Pr3 O1 Pr1 112.4(2) . . ?
Pr3 O1 Pr2 108.90(17) . . ?
Pr3 O1 H1 111.8 . . ?
Pr1 O2 Pr2 99.18(16) . . ?
Pr1 O2 Pr4 110.51(18) . . ?
Pr1 O2 H2 112.9 . . ?
Pr2 O2 H2 112.9 . . ?
Pr4 O2 Pr2 107.69(17) . . ?
Pr4 O2 H2 112.9 . . ?
Pr1 O3 H3 111.2 . . ?
Pr3 O3 Pr1 109.92(19) . . ?
Pr3 O3 Pr4 104.56(18) . . ?
Pr3 O3 H3 111.2 . . ?
Pr4 O3 Pr1 108.62(18) . . ?
Pr4 O3 H3 111.2 . . ?
Pr2 O4 Pr3 108.28(18) . . ?
Pr2 O4 Pr4 111.44(18) . . ?
Pr2 O4 H4 111.2 . . ?
Pr3 O4 H4 111.2 . . ?
Pr4 O4 Pr3 103.34(18) . . ?
Pr4 O4 H4 111.2 . . ?
Pr1 O1A Pr2 90.15(15) 2_556 2_556 ?
C1A O1A Pr1 151.3(5) . 2_556 ?
C1A O1A Pr2 89.7(5) . 2_556 ?
C1A O2A Pr2 97.0(5) . 2_556 ?
O1A C1A Pr2 65.8(4) . 2_556 ?
O1A C1A O2A 122.6(7) . . ?
O1A C1A C2A 118.2(7) . . ?
O2A C1A Pr2 58.5(4) . 2_556 ?
O2A C1A C2A 119.2(7) . . ?
C2A C1A Pr2 163.3(6) . 2_556 ?
C3A C2A C1A 120.0(7) . . ?
C3A C2A C5A 118.5(7) . . ?
C5A C2A C1A 121.4(7) . . ?
C2A C3A H3A 120.2 . . ?
C2A C3A C4A 119.6(8) . . ?
C4A C3A H3A 120.2 . . ?
C3A C4A H4A 119.0 . . ?
N1A C4A C3A 122.0(8) . . ?
N1A C4A H4A 119.0 . . ?
C2A C5A H5A 120.5 . . ?
C2A C5A C6A 119.1(8) . . ?
C6A C5A H5A 120.5 . . ?
C5A C6A H6A 118.5 . . ?
N1A C6A C5A 123.0(9) . . ?
N1A C6A H6A 118.5 . . ?
C4A N1A Pr1 117.1(5) . . ?
C6A N1A Pr1 125.1(6) . . ?
C6A N1A C4A 117.7(7) . . ?
C1B O1B Pr1 135.4(5) . . ?
C1B O2B Pr4 139.4(5) . . ?
O1B C1B O2B 125.5(7) . . ?
O1B C1B C2B 118.6(7) . . ?
O2B C1B C2B 115.9(7) . . ?
C3B C2B C1B 121.1(7) . . ?
C3B C2B C5B 119.3(8) . . ?
C5B C2B C1B 119.5(8) . . ?
C2B C3B H3B 120.4 . . ?
C2B C3B C4B 119.2(8) . . ?
C4B C3B H3B 120.4 . . ?
C3B C4B H4B 118.8 . . ?
N1B C4B C3B 122.5(8) . . ?
N1B C4B H4B 118.8 . . ?
C2B C5B H5B 121.2 . . ?
C6B C5B C2B 117.6(9) . . ?
C6B C5B H5B 121.2 . . ?
C5B C6B H6B 118.5 . . ?
N1B C6B C5B 122.9(10) . . ?
N1B C6B H6B 118.5 . . ?
C4B N1B C6B 118.4(8) . . ?
C1C O1C Pr2 131.4(7) . . ?
C1C O2C Pr3 138.0(7) . . ?
O1C C1C O2C 129.6(10) . . ?
O1C C1C C2C 113.0(9) . . ?
O1C C1C C2C' 112.4(12) . . ?
O2C C1C C2C 116.6(9) . . ?
O2C C1C C2C' 117.6(12) . . ?
C3C C2C C1C 117.9(12) . . ?
C3C C2C C5C 121.6(14) . . ?
C5C C2C C1C 120.5(12) . . ?
C2C C3C H3C 121.0 . . ?
C4C C3C C2C 118.0(12) . . ?
C4C C3C H3C 121.0 . . ?
C3C C4C H4C 119.4 . . ?
N1C C4C C3C 121.3(12) . . ?
N1C C4C H4C 119.4 . . ?
C2C C5C H5C 121.1 . . ?
C6C C5C C2C 117.9(12) . . ?
C6C C5C H5C 121.1 . . ?
C5C C6C H6C 119.4 . . ?
N1C C6C C5C 121.2(12) . . ?
N1C C6C H6C 119.4 . . ?
C6C N1C C4C 120.1(14) . . ?
C3C' C2C' C1C 125(2) . . ?
C3C' C2C' C5C' 119.3(15) . . ?
C5C' C2C' C1C 116(2) . . ?
C2C' C3C' H3C' 120.3 . . ?
C4C' C3C' C2C' 119.4(13) . . ?
C4C' C3C' H3C' 120.3 . . ?
C3C' C4C' H4C' 119.5 . . ?
N1C' C4C' C3C' 121.0(14) . . ?
N1C' C4C' H4C' 119.5 . . ?
C2C' C5C' H5C' 120.3 . . ?
C6C' C5C' C2C' 119.3(13) . . ?
C6C' C5C' H5C' 120.3 . . ?
C5C' C6C' H6C' 119.5 . . ?
N1C' C6C' C5C' 121.0(14) . . ?
N1C' C6C' H6C' 119.5 . . ?
C6C' N1C' C4C' 120.1(17) . . ?
C1D O1D Pr3 137.4(6) . . ?
C1D O2D Pr4 112.0(6) . . ?
O1D C1D O2D 124.5(8) . . ?
O1D C1D C2D 117.9(8) . . ?
O2D C1D C2D 117.6(8) . . ?
C3D C2D C1D 120.2(8) . . ?
C5D C2D C1D 121.5(8) . . ?
C5D C2D C3D 118.4(8) . . ?
C2D C3D H3D 120.3 . . ?
C4D C3D C2D 119.4(8) . . ?
C4D C3D H3D 120.3 . . ?
C3D C4D H4D 118.2 . . ?
N1D C4D C3D 123.6(9) . . ?
N1D C4D H4D 118.2 . . ?
C2D C5D H5D 120.5 . . ?
C2D C5D C6D 119.0(9) . . ?
C6D C5D H5D 120.5 . . ?
C5D C6D H6D 118.2 . . ?
N1D C6D C5D 123.6(10) . . ?
N1D C6D H6D 118.2 . . ?
C4D N1D C6D 116.0(8) . . ?

_refine_diff_density_max         2.334
_refine_diff_density_min         -1.937
_refine_diff_density_rms         0.224



####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit74nd
_database_code_depnum_ccdc_archive 'CCDC 1904279'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H42 N11 Nd4 O22 Re6 S8'
_chemical_formula_weight         2895.41

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'
Nd Nd -0.1943 3.0179 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.8344(4)
_cell_length_b                   12.5424(2)
_cell_length_c                   23.8734(4)
_cell_angle_alpha                90
_cell_angle_beta                 111.117(2)
_cell_angle_gamma                90
_cell_volume                     6378.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    13357
_cell_measurement_theta_min      3.71
_cell_measurement_theta_max      28.68

_exptl_crystal_description       stick
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.015
_exptl_crystal_F_000             5244
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    14.863
_shelx_estimated_absorpt_T_min   0.214
_shelx_estimated_absorpt_T_max   0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.58095
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            32942
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.297
_diffrn_reflns_theta_max         29.084
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.828
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.828
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.828
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             14153
_reflns_number_gt                11766
_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.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0297P)²+19.8200P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14153
_refine_ls_number_parameters     848
_refine_ls_number_restraints     124
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0311
_refine_ls_wR_factor_ref         0.0688
_refine_ls_wR_factor_gt          0.0651
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.002
_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
Re1 Re 0.30731(2) 1.09282(2) 0.57249(2) 0.01101(6) Uani 1 1 d . . . . .
Re2 Re 0.32798(2) 1.29552(2) 0.58815(2) 0.01102(6) Uani 1 1 d . . . . .
Re3 Re 0.22916(2) 1.33552(2) 0.49378(2) 0.01089(6) Uani 1 1 d . . . . .
Re4 Re 0.20875(2) 1.13184(2) 0.47791(2) 0.01116(6) Uani 1 1 d . . . . .
Re5 Re 0.31699(2) 1.21007(2) 0.48588(2) 0.01170(6) Uani 1 1 d . . . . .
Re6 Re 0.21978(2) 1.21849(2) 0.58010(2) 0.01029(6) Uani 1 1 d . . . . .
S1 S 0.40435(7) 1.17376(16) 0.57699(7) 0.0167(4) Uani 1 1 d . . . . .
S2 S 0.33198(8) 1.39825(15) 0.50481(7) 0.0151(4) Uani 1 1 d . . . . .
S3 S 0.22186(8) 1.24613(15) 0.40223(7) 0.0162(4) Uani 1 1 d . . . . .
S4 S 0.29403(8) 1.02196(15) 0.47464(8) 0.0176(4) Uani 1 1 d . . . . .
S5 S 0.31475(7) 1.18263(15) 0.66383(7) 0.0154(4) Uani 1 1 d . . . . .
S6 S 0.24363(8) 1.40580(15) 0.59190(7) 0.0154(4) Uani 1 1 d . . . . .
S7 S 0.13254(7) 1.25338(15) 0.48906(7) 0.0154(4) Uani 1 1 d . . . . .
S8 S 0.20427(7) 1.03043(15) 0.56186(7) 0.0147(4) Uani 1 1 d . . . . .
C1 C 0.3518(3) 0.9573(6) 0.6214(3) 0.0186(16) Uani 1 1 d . . . . .
N1 N 0.3760(3) 0.8863(6) 0.6520(3) 0.0256(15) Uani 1 1 d . . . . .
C2 C 0.3967(3) 1.3853(6) 0.6521(3) 0.0175(15) Uani 1 1 d . . . . .
N2 N 0.4353(3) 1.4334(5) 0.6882(3) 0.0238(15) Uani 1 1 d . . . . .
C3 C 0.1841(3) 1.4771(6) 0.4506(3) 0.0163(15) Uani 1 1 d . . . . .
N3 N 0.1590(3) 1.5526(6) 0.4277(3) 0.0233(15) Uani 1 1 d . . . . .
C4 C 0.1395(3) 1.0403(7) 0.4149(3) 0.0210(16) Uani 1 1 d . . . . .
N4 N 0.1010(3) 0.9907(6) 0.3793(3) 0.0249(15) Uani 1 1 d . . . . .
C5 C 0.3746(3) 1.2123(6) 0.4335(3) 0.0229(17) Uani 1 1 d . . . . .
N5 N 0.4069(4) 1.2180(6) 0.4058(3) 0.0390(19) Uani 1 1 d . . . . .
C6 C 0.1637(3) 1.2273(6) 0.6341(3) 0.0135(14) Uani 1 1 d . . . . .
N6 N 0.1352(3) 1.2355(5) 0.6647(3) 0.0195(13) Uani 1 1 d . . . . .
Nd1 Nd 0.40377(2) 0.76821(3) 0.74650(2) 0.01324(8) Uani 1 1 d . . . . .
Nd2 Nd 0.51146(2) 0.53295(3) 0.77781(2) 0.01149(8) Uani 1 1 d . . . . .
Nd3 Nd 0.53793(2) 0.75693(3) 0.67465(2) 0.01802(9) Uani 1 1 d . . . . .
Nd4 Nd 0.58795(2) 0.81032(3) 0.84559(2) 0.01701(9) Uani 1 1 d . . . . .
O1 O 0.4595(2) 0.6597(4) 0.69729(19) 0.0158(11) Uani 1 1 d . . . . .
H1 H 0.429828 0.622981 0.660945 0.019 Uiso 1 1 calc R U . . .
O2 O 0.49489(19) 0.6958(4) 0.82655(19) 0.0145(10) Uani 1 1 d . . . . .
H2 H 0.486139 0.680706 0.863914 0.017 Uiso 1 1 calc R U . . .
O3 O 0.5054(2) 0.8495(4) 0.7468(2) 0.0182(11) Uani 1 1 d . . . . .
H3 H 0.501062 0.927868 0.738626 0.022 Uiso 1 1 calc R U . . .
O4 O 0.58323(19) 0.6727(4) 0.77458(19) 0.0146(10) Uani 1 1 d . . . . .
H4 H 0.625940 0.643220 0.781361 0.018 Uiso 1 1 calc R U . . .
O1M O 0.3223(2) 0.6636(5) 0.6568(3) 0.0415(16) Uani 1 1 d . . . . .
O2M O 0.5268(4) 0.3325(6) 0.8037(3) 0.071(2) Uani 1 1 d . . . . .
O3M O 0.5131(4) 0.9469(6) 0.6380(3) 0.058(2) Uani 1 1 d . . . . .
O4M O 0.6934(3) 0.7237(6) 0.8869(3) 0.055(2) Uani 1 1 d . . . . .
O5M O 0.6007(3) 0.7220(5) 0.9430(2) 0.0305(13) Uani 1 1 d . . . . .
O1A O 0.1117(2) 1.0702(5) 0.7385(2) 0.0280(13) Uani 1 1 d . . . . .
O2A O 0.0587(2) 0.9575(5) 0.6688(3) 0.0379(15) Uani 1 1 d . . . . .
C1A C 0.1086(3) 0.9955(7) 0.7037(3) 0.0234(17) Uani 1 1 d . . . . .
C2A C 0.1704(3) 0.9462(7) 0.7064(3) 0.0241(18) Uani 1 1 d . . . . .
C3A C 0.2255(4) 1.0020(7) 0.7287(3) 0.0295(19) Uani 1 1 d . . . . .
H3A H 0.225160 1.074087 0.740821 0.035 Uiso 1 1 calc R U . . .
C4A C 0.2818(4) 0.9540(7) 0.7335(3) 0.0257(18) Uani 1 1 d . . . . .
H4A H 0.319049 0.995631 0.747468 0.031 Uiso 1 1 calc R U . . .
C5A C 0.1745(4) 0.8421(8) 0.6896(4) 0.041(2) Uani 1 1 d . . . . .
H5A H 0.137568 0.800333 0.672979 0.049 Uiso 1 1 calc R U . . .
C6A C 0.2317(4) 0.7989(7) 0.6967(4) 0.037(2) Uani 1 1 d . . . . .
H6A H 0.233024 0.727009 0.684712 0.045 Uiso 1 1 calc R U . . .
N1A N 0.2863(3) 0.8524(6) 0.7196(3) 0.0242(15) Uani 1 1 d . . . . .
O1B O 0.4209(2) 0.9286(4) 0.8062(2) 0.0229(12) Uani 1 1 d . . . . .
O2B O 0.5202(2) 0.9298(5) 0.8704(2) 0.0369(16) Uani 1 1 d . . . . .
C1B C 0.4635(3) 0.9576(7) 0.8530(3) 0.0250(18) Uani 1 1 d . . . . .
C2B C 0.4476(4) 1.0323(7) 0.8943(4) 0.0300(19) Uani 1 1 d . . . . .
C3B C 0.3853(4) 1.0446(8) 0.8910(4) 0.038(2) Uani 1 1 d . . . . .
H3B H 0.351847 1.008795 0.861029 0.045 Uiso 1 1 calc R U . . .
C4B C 0.3740(4) 1.1090(8) 0.9318(4) 0.039(2) Uani 1 1 d . . . . .
H4B H 0.332134 1.114128 0.930741 0.047 Uiso 1 1 calc R U . . .
C5B C 0.4933(4) 1.0884(9) 0.9381(4) 0.045(3) Uani 1 1 d . . . . .
H5B H 0.535931 1.082715 0.941493 0.054 Uiso 1 1 calc R U . . .
C6B C 0.4773(4) 1.1526(9) 0.9768(5) 0.049(3) Uani 1 1 d . . . . .
H6B H 0.509661 1.189372 1.007324 0.059 Uiso 1 1 calc R U . . .
N1B N 0.4183(4) 1.1654(7) 0.9731(3) 0.044(2) Uani 1 1 d . . . . .
O1C O 0.5714(2) 0.4578(5) 0.7237(2) 0.0305(14) Uani 1 1 d . . . . .
O2C O 0.5681(3) 0.5811(5) 0.6556(2) 0.0340(14) Uani 1 1 d . . . . .
C1C C 0.5833(4) 0.4916(7) 0.6799(4) 0.030(2) Uani 1 1 d . . . . .
C2C C 0.6210(4) 0.4200(7) 0.6556(4) 0.034(2) Uani 1 1 d . . . . .
C3C C 0.6295(6) 0.3147(9) 0.6710(5) 0.064(3) Uani 1 1 d . . . . .
H3C H 0.607295 0.282831 0.693545 0.077 Uiso 1 1 calc R U . . .
C4C C 0.6714(6) 0.2545(10) 0.6533(6) 0.071(4) Uani 1 1 d . . . . .
H4C H 0.679149 0.182874 0.666871 0.085 Uiso 1 1 calc R U . . .
C5C C 0.6500(4) 0.4598(9) 0.6180(4) 0.042(2) Uani 1 1 d . . . . .
H5C H 0.642865 0.531350 0.604159 0.050 Uiso 1 1 calc R U . . .
C6C C 0.6897(5) 0.3946(9) 0.6009(5) 0.057(3) Uani 1 1 d . . . . .
H6C H 0.709757 0.423705 0.575728 0.069 Uiso 1 1 calc R U . . .
N1C N 0.7012(4) 0.2921(8) 0.6180(4) 0.061(3) Uani 1 1 d . . . . .
O1D O 0.6344(3) 0.8403(5) 0.7220(3) 0.0445(16) Uani 1 1 d . U . . .
O2D O 0.6403(3) 0.9365(7) 0.8008(3) 0.056(2) Uani 1 1 d . U . . .
C1D C 0.6566(4) 0.9153(8) 0.7587(4) 0.0349(19) Uani 1 1 d . U . . .
C2D C 0.7053(3) 0.9838(7) 0.7473(3) 0.0204(16) Uani 1 1 d . . . . .
C3D C 0.7287(3) 0.9554(7) 0.7033(3) 0.0266(18) Uani 1 1 d . . . . .
H3D H 0.712931 0.894528 0.678871 0.032 Uiso 1 1 calc R U . . .
C4D C 0.7749(4) 1.0163(7) 0.6956(4) 0.032(2) Uani 1 1 d . . . . .
H4D H 0.791058 0.995444 0.665719 0.038 Uiso 1 1 calc R U . . .
C5D C 0.7289(4) 1.0727(7) 0.7809(4) 0.033(2) Uani 1 1 d . . . . .
H5D H 0.714251 1.094268 0.811672 0.039 Uiso 1 1 calc R U . . .
C6D C 0.7747(4) 1.1306(9) 0.7691(5) 0.048(3) Uani 1 1 d . . . . .
H6D H 0.790130 1.193343 0.791932 0.057 Uiso 1 1 calc R U . . .
N1D N 0.7983(3) 1.1035(7) 0.7277(4) 0.042(2) Uani 1 1 d . . . . .
O1E O 0.4525(3) 0.7348(6) 0.5754(3) 0.0526(19) Uani 1 1 d D U . . .
C1E C 0.4611(10) 0.7337(12) 0.5274(6) 0.060(4) Uani 0.5 1 d D U P A -1
C2E C 0.4775(10) 0.6270(13) 0.5080(9) 0.051(4) Uani 0.5 1 d D U P A -1
C3E C 0.5028(10) 0.6239(18) 0.4636(8) 0.056(4) Uani 0.5 1 d D U P A -1
H3E H 0.508230 0.685921 0.443235 0.067 Uiso 0.5 1 calc R U P A -1
C4E C 0.5195(11) 0.5234(16) 0.4512(10) 0.059(4) Uani 0.5 1 d D U P A -1
H4E H 0.538904 0.516295 0.422196 0.070 Uiso 0.5 1 calc R U P A -1
C5E C 0.4664(11) 0.5386(14) 0.5372(10) 0.053(4) Uani 0.5 1 d D U P A -1
H5E H 0.448309 0.543735 0.567203 0.064 Uiso 0.5 1 calc R U P A -1
C6E C 0.4834(10) 0.4421(18) 0.5197(8) 0.057(4) Uani 0.5 1 d D U P A -1
H6E H 0.476250 0.378310 0.537730 0.068 Uiso 0.5 1 calc R U P A -1
N1E N 0.5096(9) 0.4361(16) 0.4782(8) 0.056(4) Uani 0.5 1 d D U P A -1
N2E N 0.4497(8) 0.8106(14) 0.4881(5) 0.059(4) Uani 0.5 1 d D U P A -1
H2E1 H 0.434204 0.871483 0.494795 0.071 Uiso 0.5 1 calc R U P A -1
H2E2 H 0.457541 0.801600 0.454935 0.071 Uiso 0.5 1 calc R U P A -1
O1W O 0.5035(7) 0.5855(12) 0.9429(6) 0.063(4) Uani 0.538(12) 1 d . U P B 1
O2W O 0.4909(9) 0.5535(15) 0.9897(8) 0.073(4) Uani 0.462(12) 1 d . U P B 2
O3W O 0.3267(7) 0.6552(12) 0.5533(7) 0.061(4) Uani 0.5 1 d . U P . .
O4W O 0.2386(7) 0.7748(13) 0.5210(8) 0.075(4) Uani 0.5 1 d . U P . .
O5W O 0.4912(11) 1.005(2) 0.5311(10) 0.072(7) Uani 0.35 1 d . U P C 1
O6W O 0.4281(12) 0.905(2) 0.5097(10) 0.047(5) Uani 0.25 1 d . U P D 2
O7W O 0.5921(10) 1.0537(18) 0.6044(12) 0.074(7) Uani 0.35 1 d . . P . .
O8W O 0.5186(13) 0.1633(19) 0.7600(12) 0.082(5) Uani 0.35 1 d . U P E 1
O9W O 0.5715(13) 0.151(2) 0.8236(12) 0.086(5) Uani 0.35 1 d . U P F 2
O10W O 0.4877(12) 0.0840(19) 0.7234(11) 0.078(5) Uani 0.35 1 d . U P G 2


_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
Re1 Re2 2.5882(4) . yes
Re1 Re4 2.5965(3) . yes
Re1 Re5 2.6107(4) . yes
Re1 Re6 2.6026(4) . yes
Re1 S1 2.4043(17) . yes
Re1 S4 2.4143(17) . yes
Re1 S5 2.4053(17) . yes
Re1 S8 2.4047(17) . yes
Re1 C1 2.104(8) . yes
Re2 Re3 2.5992(3) . yes
Re2 Re5 2.5944(4) . yes
Re2 Re6 2.5946(4) . yes
Re2 S1 2.4040(18) . yes
Re2 S2 2.3995(17) . yes
Re2 S5 2.3986(17) . yes
Re2 S6 2.3990(17) . yes
Re2 C2 2.082(7) . yes
Re3 Re4 2.5999(4) . yes
Re3 Re5 2.6088(4) . yes
Re3 Re6 2.6010(4) . yes
Re3 S2 2.3990(16) . yes
Re3 S3 2.4082(17) . yes
Re3 S6 2.4114(17) . yes
Re3 S7 2.4005(17) . yes
Re3 C3 2.124(8) . yes
Re4 Re5 2.6017(4) . yes
Re4 Re6 2.5988(4) . yes
Re4 S3 2.4080(17) . yes
Re4 S4 2.4099(18) . yes
Re4 S7 2.3993(18) . yes
Re4 S8 2.4069(17) . yes
Re4 C4 2.090(8) . yes
Re5 S1 2.4065(16) . yes
Re5 S2 2.4043(19) . yes
Re5 S3 2.4054(16) . yes
Re5 S4 2.4107(19) . yes
Re5 C5 2.116(7) . yes
Re6 S5 2.4035(16) . yes
Re6 S6 2.4051(19) . yes
Re6 S7 2.4008(16) . yes
Re6 S8 2.4016(19) . yes
Re6 C6 2.121(6) . yes
C1 N1 1.158(9) . ?
N1 Nd1 2.580(6) . yes
C2 N2 1.156(9) . ?
N2 Nd2 2.546(6) 1_565 yes
C3 N3 1.139(9) . ?
N3 Nd4 2.672(6) 4_585 yes
C4 N4 1.159(9) . ?
N4 Nd2 2.563(6) 4_575 yes
C5 N5 1.156(9) . ?
N5 Nd3 2.669(7) 3_676 yes
C6 N6 1.147(8) . ?
N6 Nd1 2.609(5) 2_556 yes
Nd1 Nd2 3.7400(5) . yes
Nd1 Nd3 4.0166(5) . yes
Nd1 Nd4 4.0490(5) . yes
Nd1 O1 2.435(4) . yes
Nd1 O2 2.438(4) . yes
Nd1 O3 2.533(5) . yes
Nd1 O1M 2.626(6) . yes
Nd1 O1A 2.552(6) 2_546 yes
Nd1 N1A 2.736(6) . yes
Nd1 O1B 2.414(5) . yes
Nd2 Nd3 3.9236(5) . yes
Nd2 O1 2.447(5) . yes
Nd2 O2 2.446(5) . yes
Nd2 O4 2.420(5) . yes
Nd2 O2M 2.582(8) . yes
Nd2 O1A 2.738(5) 2_546 yes
Nd2 O2A 2.561(5) 2_546 yes
Nd2 C1A 2.967(7) 2_546 ?
Nd2 O1C 2.389(5) . yes
Nd3 Nd4 3.8792(5) . yes
Nd3 O1 2.385(5) . yes
Nd3 O3 2.406(5) . yes
Nd3 O4 2.470(5) . yes
Nd3 O3M 2.531(7) . yes
Nd3 O2C 2.402(6) . yes
Nd3 O1D 2.330(6) . yes
Nd3 O1E 2.483(6) . yes
Nd4 O2 2.468(4) . yes
Nd4 O3 2.480(5) . yes
Nd4 O4 2.395(5) . yes
Nd4 O4M 2.499(6) . yes
Nd4 O5M 2.496(5) . yes
Nd4 O2B 2.377(5) . yes
Nd4 O2D 2.448(6) . yes
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.237(9) . ?
O2A C1A 1.241(9) . ?
C1A C2A 1.519(10) . ?
C2A C3A 1.369(11) . ?
C2A C5A 1.380(12) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.387(10) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.329(10) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.366(11) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.345(10) . ?
O1B C1B 1.243(9) . ?
O2B C1B 1.258(9) . ?
C1B C2B 1.498(11) . ?
C2B C3B 1.405(11) . ?
C2B C5B 1.376(12) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.358(11) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.334(11) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.369(12) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.328(11) . ?
O1C C1C 1.247(10) . ?
O2C C1C 1.253(10) . ?
C1C C2C 1.497(11) . ?
C2C C3C 1.366(14) . ?
C2C C5C 1.386(12) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.399(14) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.344(13) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.387(12) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.345(14) . ?
O1D C1D 1.260(11) . ?
O2D C1D 1.221(10) . ?
C1D C2D 1.504(11) . ?
C2D C3D 1.387(10) . ?
C2D C5D 1.366(11) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.367(11) . ?
C4D H4D 0.9500 . ?
C4D N1D 1.333(11) . ?
C5D H5D 0.9500 . ?
C5D C6D 1.381(12) . ?
C6D H6D 0.9500 . ?
C6D N1D 1.329(11) . ?
O1E C1E 1.230(9) . ?
C1E C2E 1.507(5) . ?
C1E N2E 1.304(9) . ?
C2E C3E 1.378(5) . ?
C2E C5E 1.380(5) . ?
C3E H3E 0.9500 . ?
C3E C4E 1.380(5) . ?
C4E H4E 0.9500 . ?
C4E N1E 1.332(5) . ?
C5E H5E 0.9500 . ?
C5E C6E 1.381(5) . ?
C6E H6E 0.9500 . ?
C6E N1E 1.330(5) . ?
N2E H2E1 0.8800 . ?
N2E H2E2 0.8800 . ?
O2W O2W 1.44(3) 3_667 ?
O5W O5W 1.68(4) 3_676 ?

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
Re2 Re1 Re4 89.788(12) . . ?
Re2 Re1 Re5 59.870(10) . . ?
Re2 Re1 Re6 59.980(10) . . ?
Re4 Re1 Re5 59.953(10) . . ?
Re4 Re1 Re6 59.982(10) . . ?
Re6 Re1 Re5 90.026(12) . . ?
S1 Re1 Re2 57.43(5) . . ?
S1 Re1 Re4 117.09(4) . . ?
S1 Re1 Re5 57.18(4) . . ?
S1 Re1 Re6 117.37(5) . . ?
S1 Re1 S4 89.49(6) . . ?
S1 Re1 S5 89.93(6) . . ?
S1 Re1 S8 173.26(6) . . ?
S4 Re1 Re2 117.01(5) . . ?
S4 Re1 Re4 57.36(4) . . ?
S4 Re1 Re5 57.18(5) . . ?
S4 Re1 Re6 117.30(4) . . ?
S5 Re1 Re2 57.28(5) . . ?
S5 Re1 Re4 117.14(4) . . ?
S5 Re1 Re5 117.11(5) . . ?
S5 Re1 Re6 57.20(4) . . ?
S5 Re1 S4 173.13(6) . . ?
S8 Re1 Re2 117.10(5) . . ?
S8 Re1 Re4 57.38(4) . . ?
S8 Re1 Re5 117.29(4) . . ?
S8 Re1 Re6 57.16(4) . . ?
S8 Re1 S4 90.06(6) . . ?
S8 Re1 S5 89.71(6) . . ?
C1 Re1 Re2 133.4(2) . . ?
C1 Re1 Re4 136.7(2) . . ?
C1 Re1 Re5 137.11(18) . . ?
C1 Re1 Re6 132.82(18) . . ?
C1 Re1 S1 93.6(2) . . ?
C1 Re1 S4 96.11(19) . . ?
C1 Re1 S5 90.76(19) . . ?
C1 Re1 S8 93.1(2) . . ?
Re1 Re2 Re3 90.471(11) . . ?
Re1 Re2 Re5 60.495(10) . . ?
Re1 Re2 Re6 60.286(10) . . ?
Re5 Re2 Re3 60.307(10) . . ?
Re5 Re2 Re6 90.563(11) . . ?
Re6 Re2 Re3 60.104(10) . . ?
S1 Re2 Re1 57.44(4) . . ?
S1 Re2 Re3 117.68(4) . . ?
S1 Re2 Re5 57.41(4) . . ?
S1 Re2 Re6 117.69(5) . . ?
S2 Re2 Re1 117.85(4) . . ?
S2 Re2 Re3 57.19(4) . . ?
S2 Re2 Re5 57.40(4) . . ?
S2 Re2 Re6 117.27(4) . . ?
S2 Re2 S1 90.20(6) . . ?
S5 Re2 Re1 57.52(4) . . ?
S5 Re2 Re3 117.47(4) . . ?
S5 Re2 Re5 117.98(5) . . ?
S5 Re2 Re6 57.39(4) . . ?
S5 Re2 S1 90.10(6) . . ?
S5 Re2 S2 173.85(6) . . ?
S5 Re2 S6 89.52(6) . . ?
S6 Re2 Re1 117.69(4) . . ?
S6 Re2 Re3 57.53(4) . . ?
S6 Re2 Re5 117.81(4) . . ?
S6 Re2 Re6 57.42(4) . . ?
S6 Re2 S1 174.06(6) . . ?
S6 Re2 S2 89.56(6) . . ?
C2 Re2 Re1 133.4(2) . . ?
C2 Re2 Re3 136.1(2) . . ?
C2 Re2 Re5 134.88(19) . . ?
C2 Re2 Re6 134.53(19) . . ?
C2 Re2 S1 92.3(2) . . ?
C2 Re2 S2 94.2(2) . . ?
C2 Re2 S5 91.9(2) . . ?
C2 Re2 S6 93.6(2) . . ?
Re2 Re3 Re4 89.471(12) . . ?
Re2 Re3 Re5 59.756(10) . . ?
Re2 Re3 Re6 59.862(10) . . ?
Re4 Re3 Re5 59.933(10) . . ?
Re4 Re3 Re6 59.958(10) . . ?
Re6 Re3 Re5 90.102(12) . . ?
S2 Re3 Re2 57.21(4) . . ?
S2 Re3 Re4 117.08(5) . . ?
S2 Re3 Re5 57.20(5) . . ?
S2 Re3 Re6 117.05(4) . . ?
S2 Re3 S3 89.85(6) . . ?
S2 Re3 S6 89.28(6) . . ?
S2 Re3 S7 172.97(6) . . ?
S3 Re3 Re2 116.84(4) . . ?
S3 Re3 Re4 57.33(4) . . ?
S3 Re3 Re5 57.13(4) . . ?
S3 Re3 Re6 117.25(5) . . ?
S3 Re3 S6 172.85(6) . . ?
S6 Re3 Re2 57.06(4) . . ?
S6 Re3 Re4 117.09(5) . . ?
S6 Re3 Re5 116.80(4) . . ?
S6 Re3 Re6 57.20(4) . . ?
S7 Re3 Re2 117.00(4) . . ?
S7 Re3 Re4 57.18(5) . . ?
S7 Re3 Re5 117.08(5) . . ?
S7 Re3 Re6 57.20(4) . . ?
S7 Re3 S3 89.75(6) . . ?
S7 Re3 S6 90.25(6) . . ?
C3 Re3 Re2 134.41(19) . . ?
C3 Re3 Re4 136.10(18) . . ?
C3 Re3 Re5 136.03(17) . . ?
C3 Re3 Re6 133.85(17) . . ?
C3 Re3 S2 93.62(18) . . ?
C3 Re3 S3 94.90(18) . . ?
C3 Re3 S6 92.24(18) . . ?
C3 Re3 S7 93.41(18) . . ?
Re1 Re4 Re3 90.270(12) . . ?
Re1 Re4 Re5 60.295(10) . . ?
Re1 Re4 Re6 60.126(10) . . ?
Re3 Re4 Re5 60.204(10) . . ?
Re6 Re4 Re3 60.041(10) . . ?
Re6 Re4 Re5 90.306(11) . . ?
S3 Re4 Re1 117.49(4) . . ?
S3 Re4 Re3 57.33(4) . . ?
S3 Re4 Re5 57.23(4) . . ?
S3 Re4 Re6 117.34(5) . . ?
S3 Re4 S4 89.76(6) . . ?
S4 Re4 Re1 57.52(4) . . ?
S4 Re4 Re3 117.52(5) . . ?
S4 Re4 Re5 57.35(5) . . ?
S4 Re4 Re6 117.61(4) . . ?
S7 Re4 Re1 117.34(4) . . ?
S7 Re4 Re3 57.22(4) . . ?
S7 Re4 Re5 117.40(4) . . ?
S7 Re4 Re6 57.25(4) . . ?
S7 Re4 S3 89.79(6) . . ?
S7 Re4 S4 173.62(6) . . ?
S7 Re4 S8 89.61(6) . . ?
S8 Re4 Re1 57.30(4) . . ?
S8 Re4 Re3 117.20(4) . . ?
S8 Re4 Re5 117.55(4) . . ?
S8 Re4 Re6 57.19(4) . . ?
S8 Re4 S3 173.44(6) . . ?
S8 Re4 S4 90.12(6) . . ?
C4 Re4 Re1 135.8(2) . . ?
C4 Re4 Re3 134.0(2) . . ?
C4 Re4 Re5 135.4(2) . . ?
C4 Re4 Re6 134.3(2) . . ?
C4 Re4 S3 93.0(2) . . ?
C4 Re4 S4 94.2(2) . . ?
C4 Re4 S7 92.2(2) . . ?
C4 Re4 S8 93.5(2) . . ?
Re2 Re5 Re1 59.635(10) . . ?
Re2 Re5 Re3 59.937(10) . . ?
Re2 Re5 Re4 89.535(11) . . ?
Re3 Re5 Re1 89.761(11) . . ?
Re4 Re5 Re1 59.752(10) . . ?
Re4 Re5 Re3 59.864(10) . . ?
S1 Re5 Re1 57.09(4) . . ?
S1 Re5 Re2 57.32(4) . . ?
S1 Re5 Re3 117.21(4) . . ?
S1 Re5 Re4 116.81(4) . . ?
S1 Re5 S4 89.52(6) . . ?
S2 Re5 Re1 116.81(4) . . ?
S2 Re5 Re2 57.22(4) . . ?
S2 Re5 Re3 57.00(4) . . ?
S2 Re5 Re4 116.81(4) . . ?
S2 Re5 S1 90.02(6) . . ?
S2 Re5 S3 89.79(6) . . ?
S2 Re5 S4 172.83(6) . . ?
S3 Re5 Re1 117.04(4) . . ?
S3 Re5 Re2 117.12(4) . . ?
S3 Re5 Re3 57.23(4) . . ?
S3 Re5 Re4 57.33(4) . . ?
S3 Re5 S1 173.02(6) . . ?
S3 Re5 S4 89.80(6) . . ?
S4 Re5 Re1 57.31(4) . . ?
S4 Re5 Re2 116.91(4) . . ?
S4 Re5 Re3 117.15(4) . . ?
S4 Re5 Re4 57.32(4) . . ?
C5 Re5 Re1 136.3(2) . . ?
C5 Re5 Re2 132.9(2) . . ?
C5 Re5 Re3 133.8(2) . . ?
C5 Re5 Re4 137.6(2) . . ?
C5 Re5 S1 92.7(2) . . ?
C5 Re5 S2 91.2(2) . . ?
C5 Re5 S3 94.3(2) . . ?
C5 Re5 S4 95.9(2) . . ?
Re2 Re6 Re1 59.735(10) . . ?
Re2 Re6 Re3 60.035(10) . . ?
Re2 Re6 Re4 89.595(11) . . ?
Re3 Re6 Re1 90.112(11) . . ?
Re4 Re6 Re1 59.892(10) . . ?
Re4 Re6 Re3 60.001(10) . . ?
S5 Re6 Re1 57.27(4) . . ?
S5 Re6 Re2 57.20(4) . . ?
S5 Re6 Re3 117.22(4) . . ?
S5 Re6 Re4 117.11(4) . . ?
S5 Re6 S6 89.26(6) . . ?
S6 Re6 Re1 116.91(4) . . ?
S6 Re6 Re2 57.20(4) . . ?
S6 Re6 Re3 57.43(4) . . ?
S6 Re6 Re4 117.37(4) . . ?
S7 Re6 Re1 117.05(4) . . ?
S7 Re6 Re2 117.16(4) . . ?
S7 Re6 Re3 57.19(4) . . ?
S7 Re6 Re4 57.19(4) . . ?
S7 Re6 S5 173.08(6) . . ?
S7 Re6 S6 90.40(6) . . ?
S7 Re6 S8 89.70(6) . . ?
S8 Re6 Re1 57.27(4) . . ?
S8 Re6 Re2 116.97(4) . . ?
S8 Re6 Re3 117.35(4) . . ?
S8 Re6 Re4 57.38(4) . . ?
S8 Re6 S5 89.82(6) . . ?
S8 Re6 S6 173.21(6) . . ?
C6 Re6 Re1 136.09(19) . . ?
C6 Re6 Re2 134.63(17) . . ?
C6 Re6 Re3 133.79(19) . . ?
C6 Re6 Re4 135.76(17) . . ?
C6 Re6 S5 93.75(18) . . ?
C6 Re6 S6 92.2(2) . . ?
C6 Re6 S7 93.16(18) . . ?
C6 Re6 S8 94.5(2) . . ?
Re1 S1 Re5 65.73(4) . . ?
Re2 S1 Re1 65.13(4) . . ?
Re2 S1 Re5 65.27(4) . . ?
Re2 S2 Re5 65.38(5) . . ?
Re3 S2 Re2 65.59(4) . . ?
Re3 S2 Re5 65.79(5) . . ?
Re4 S3 Re3 65.34(4) . . ?
Re5 S3 Re3 65.64(4) . . ?
Re5 S3 Re4 65.44(4) . . ?
Re4 S4 Re1 65.12(4) . . ?
Re4 S4 Re5 65.33(5) . . ?
Re5 S4 Re1 65.51(5) . . ?
Re2 S5 Re1 65.20(4) . . ?
Re2 S5 Re6 65.41(4) . . ?
Re6 S5 Re1 65.53(4) . . ?
Re2 S6 Re3 65.41(4) . . ?
Re2 S6 Re6 65.38(5) . . ?
Re6 S6 Re3 65.37(5) . . ?
Re3 S7 Re6 65.60(4) . . ?
Re4 S7 Re3 65.60(4) . . ?
Re4 S7 Re6 65.56(4) . . ?
Re1 S8 Re4 65.32(4) . . ?
Re6 S8 Re1 65.57(5) . . ?
Re6 S8 Re4 65.43(5) . . ?
N1 C1 Re1 175.0(6) . . ?
C1 N1 Nd1 154.7(6) . . ?
N2 C2 Re2 178.7(7) . . ?
C2 N2 Nd2 171.6(6) . 1_565 ?
N3 C3 Re3 178.8(6) . . ?
C3 N3 Nd4 162.6(6) . 4_585 ?
N4 C4 Re4 179.0(7) . . ?
C4 N4 Nd2 153.0(6) . 4_575 ?
N5 C5 Re5 177.0(8) . . ?
C5 N5 Nd3 169.3(7) . 3_676 ?
N6 C6 Re6 177.0(6) . . ?
C6 N6 Nd1 166.1(5) . 2_556 ?
N1 Nd1 N6 138.81(19) . 2_546 ?
N1 Nd1 Nd2 124.36(14) . . ?
N1 Nd1 Nd3 68.38(13) . . ?
N1 Nd1 Nd4 108.19(14) . . ?
N1 Nd1 O1M 72.2(2) . . ?
N1 Nd1 N1A 70.27(19) . . ?
N6 Nd1 Nd2 96.04(14) 2_546 . ?
N6 Nd1 Nd3 151.25(13) 2_546 . ?
N6 Nd1 Nd4 97.58(13) 2_546 . ?
N6 Nd1 O1M 103.6(2) 2_546 . ?
N6 Nd1 N1A 70.05(18) 2_546 . ?
Nd2 Nd1 Nd3 60.649(10) . . ?
Nd2 Nd1 Nd4 61.079(9) . . ?
Nd3 Nd1 Nd4 57.494(9) . . ?
O1 Nd1 N1 84.57(18) . . ?
O1 Nd1 N6 133.95(18) . 2_546 ?
O1 Nd1 Nd2 40.11(11) . . ?
O1 Nd1 Nd3 33.15(12) . . ?
O1 Nd1 Nd4 75.02(10) . . ?
O1 Nd1 O2 73.92(15) . . ?
O1 Nd1 O3 65.73(16) . . ?
O1 Nd1 O1M 70.55(16) . . ?
O1 Nd1 O1A 69.31(17) . 2_546 ?
O1 Nd1 N1A 137.86(17) . . ?
O2 Nd1 N1 140.44(17) . . ?
O2 Nd1 N6 75.45(17) . 2_546 ?
O2 Nd1 Nd2 40.11(11) . . ?
O2 Nd1 Nd3 75.80(10) . . ?
O2 Nd1 Nd4 34.61(11) . . ?
O2 Nd1 O3 67.98(15) . . ?
O2 Nd1 O1M 127.37(18) . . ?
O2 Nd1 O1A 69.49(17) . 2_546 ?
O2 Nd1 N1A 144.64(16) . . ?
O3 Nd1 N1 73.00(17) . . ?
O3 Nd1 N6 129.85(17) . 2_546 ?
O3 Nd1 Nd2 77.36(11) . . ?
O3 Nd1 Nd3 34.55(11) . . ?
O3 Nd1 Nd4 35.69(10) . . ?
O3 Nd1 O1M 125.65(17) . . ?
O3 Nd1 O1A 124.38(16) . 2_546 ?
O3 Nd1 N1A 131.73(18) . . ?
O1M Nd1 Nd2 89.45(13) . . ?
O1M Nd1 Nd3 93.40(13) . . ?
O1M Nd1 Nd4 145.39(13) . . ?
O1M Nd1 N1A 69.82(19) . . ?
O1A Nd1 N1 132.74(19) 2_546 . ?
O1A Nd1 N6 68.14(18) 2_546 2_546 ?
O1A Nd1 Nd2 47.05(12) 2_546 . ?
O1A Nd1 Nd3 101.03(12) 2_546 . ?
O1A Nd1 Nd4 102.26(12) 2_546 . ?
O1A Nd1 O1M 62.29(19) 2_546 . ?
O1A Nd1 N1A 103.56(19) 2_546 . ?
N1A Nd1 Nd2 150.45(15) . . ?
N1A Nd1 Nd3 138.42(13) . . ?
N1A Nd1 Nd4 144.20(15) . . ?
O1B Nd1 N1 88.5(2) . . ?
O1B Nd1 N6 71.43(19) . 2_546 ?
O1B Nd1 Nd2 125.76(12) . . ?
O1B Nd1 Nd3 107.19(11) . . ?
O1B Nd1 Nd4 68.49(11) . . ?
O1B Nd1 O1 138.52(16) . . ?
O1B Nd1 O2 86.38(16) . . ?
O1B Nd1 O3 73.12(16) . . ?
O1B Nd1 O1M 144.49(17) . . ?
O1B Nd1 O1A 136.80(17) . 2_546 ?
O1B Nd1 N1A 75.71(18) . . ?
N2 Nd2 N4 144.0(2) 1_545 4_676 ?
N2 Nd2 Nd1 91.02(14) 1_545 . ?
N2 Nd2 Nd3 92.12(15) 1_545 . ?
N2 Nd2 O2M 73.5(2) 1_545 . ?
N2 Nd2 O1A 66.92(18) 1_545 2_546 ?
N2 Nd2 O2A 82.9(2) 1_545 2_546 ?
N2 Nd2 C1A 70.0(2) 1_545 2_546 ?
N4 Nd2 Nd1 121.54(16) 4_676 . ?
N4 Nd2 Nd3 115.20(15) 4_676 . ?
N4 Nd2 O2M 70.6(2) 4_676 . ?
N4 Nd2 O1A 125.63(18) 4_676 2_546 ?
N4 Nd2 C1A 107.8(2) 4_676 2_546 ?
Nd1 Nd2 Nd3 63.164(10) . . ?
O1 Nd2 N2 70.56(19) . 1_545 ?
O1 Nd2 N4 144.5(2) . 4_676 ?
O1 Nd2 Nd1 39.87(10) . . ?
O1 Nd2 Nd3 35.17(10) . . ?
O1 Nd2 O2M 143.7(2) . . ?
O1 Nd2 O1A 66.08(15) . 2_546 ?
O1 Nd2 O2A 114.71(17) . 2_546 ?
O1 Nd2 C1A 90.40(19) . 2_546 ?
O2 Nd2 N2 129.28(17) . 1_545 ?
O2 Nd2 N4 81.61(19) . 4_676 ?
O2 Nd2 Nd1 39.94(10) . . ?
O2 Nd2 Nd3 77.64(11) . . ?
O2 Nd2 O1 73.56(15) . . ?
O2 Nd2 O2M 136.9(2) . . ?
O2 Nd2 O1A 66.30(15) . 2_546 ?
O2 Nd2 O2A 80.80(19) . 2_546 ?
O2 Nd2 C1A 75.65(18) . 2_546 ?
O4 Nd2 N2 126.46(18) . 1_545 ?
O4 Nd2 N4 78.20(19) . 4_676 ?
O4 Nd2 Nd1 80.00(11) . . ?
O4 Nd2 Nd3 37.07(10) . . ?
O4 Nd2 O1 69.32(15) . . ?
O4 Nd2 O2 68.47(15) . . ?
O4 Nd2 O2M 132.7(2) . . ?
O4 Nd2 O1A 123.01(16) . 2_546 ?
O4 Nd2 O2A 146.70(18) . 2_546 ?
O4 Nd2 C1A 142.40(19) . 2_546 ?
O2M Nd2 Nd1 147.0(2) . . ?
O2M Nd2 Nd3 144.0(2) . . ?
O2M Nd2 O1A 104.1(2) . 2_546 ?
O2M Nd2 C1A 82.2(3) . 2_546 ?
O1A Nd2 Nd1 43.02(12) 2_546 . ?
O1A Nd2 Nd3 99.86(12) 2_546 . ?
O1A Nd2 C1A 24.63(19) 2_546 2_546 ?
O2A Nd2 N4 85.11(19) 2_546 4_676 ?
O2A Nd2 Nd1 84.67(14) 2_546 . ?
O2A Nd2 Nd3 147.42(14) 2_546 . ?
O2A Nd2 O2M 65.0(2) 2_546 . ?
O2A Nd2 O1A 48.63(18) 2_546 2_546 ?
O2A Nd2 C1A 24.6(2) 2_546 2_546 ?
C1A Nd2 Nd1 65.07(17) 2_546 . ?
C1A Nd2 Nd3 124.49(17) 2_546 . ?
O1C Nd2 N2 72.77(19) . 1_545 ?
O1C Nd2 N4 92.8(2) . 4_676 ?
O1C Nd2 Nd1 131.84(15) . . ?
O1C Nd2 Nd3 72.25(15) . . ?
O1C Nd2 O1 92.41(18) . . ?
O1C Nd2 O2 143.46(18) . . ?
O1C Nd2 O4 75.03(18) . . ?
O1C Nd2 O2M 71.9(2) . . ?
O1C Nd2 O1A 138.63(17) . 2_546 ?
O1C Nd2 O2A 135.0(2) . 2_546 ?
O1C Nd2 C1A 139.3(2) . 2_546 ?
N5 Nd3 Nd1 159.05(16) 3_676 . ?
N5 Nd3 Nd2 139.09(17) 3_676 . ?
N5 Nd3 Nd4 134.46(17) 3_676 . ?
Nd2 Nd3 Nd1 56.188(9) . . ?
Nd4 Nd3 Nd1 61.673(9) . . ?
Nd4 Nd3 Nd2 61.110(10) . . ?
O1 Nd3 N5 144.3(2) . 3_676 ?
O1 Nd3 Nd1 33.94(12) . . ?
O1 Nd3 Nd2 36.23(11) . . ?
O1 Nd3 Nd4 79.07(10) . . ?
O1 Nd3 O3 68.52(16) . . ?
O1 Nd3 O4 69.49(14) . . ?
O1 Nd3 O3M 117.8(2) . . ?
O1 Nd3 O2C 82.15(18) . . ?
O1 Nd3 O1E 76.31(19) . . ?
O3 Nd3 N5 143.7(2) . 3_676 ?
O3 Nd3 Nd1 36.65(11) . . ?
O3 Nd3 Nd2 74.87(12) . . ?
O3 Nd3 Nd4 38.12(11) . . ?
O3 Nd3 O4 69.19(15) . . ?
O3 Nd3 O3M 72.81(19) . . ?
O3 Nd3 O1E 113.47(19) . . ?
O4 Nd3 N5 127.13(19) . 3_676 ?
O4 Nd3 Nd1 73.81(10) . . ?
O4 Nd3 Nd2 36.20(10) . . ?
O4 Nd3 Nd4 36.45(11) . . ?
O4 Nd3 O3M 134.4(2) . . ?
O4 Nd3 O1E 141.8(2) . . ?
O3M Nd3 N5 75.3(2) . 3_676 ?
O3M Nd3 Nd1 90.22(15) . . ?
O3M Nd3 Nd2 145.57(15) . . ?
O3M Nd3 Nd4 98.35(17) . . ?
O2C Nd3 N5 74.3(2) . 3_676 ?
O2C Nd3 Nd1 115.34(14) . . ?
O2C Nd3 Nd2 65.22(14) . . ?
O2C Nd3 Nd4 111.19(13) . . ?
O2C Nd3 O3 139.63(18) . . ?
O2C Nd3 O4 74.98(17) . . ?
O2C Nd3 O3M 147.5(2) . . ?
O2C Nd3 O1E 84.1(2) . . ?
O1D Nd3 N5 71.8(2) . 3_676 ?
O1D Nd3 Nd1 120.67(16) . . ?
O1D Nd3 Nd2 110.44(17) . . ?
O1D Nd3 Nd4 62.84(16) . . ?
O1D Nd3 O1 140.86(19) . . ?
O1D Nd3 O3 85.3(2) . . ?
O1D Nd3 O4 74.30(19) . . ?
O1D Nd3 O3M 78.5(2) . . ?
O1D Nd3 O2C 102.6(2) . . ?
O1D Nd3 O1E 142.5(2) . . ?
O1E Nd3 N5 74.8(2) . 3_676 ?
O1E Nd3 Nd1 87.35(15) . . ?
O1E Nd3 Nd2 105.87(17) . . ?
O1E Nd3 Nd4 148.82(15) . . ?
O1E Nd3 O3M 77.0(3) . . ?
N3 Nd4 Nd1 137.83(13) 4_686 . ?
N3 Nd4 Nd2 157.72(14) 4_686 . ?
N3 Nd4 Nd3 138.91(14) 4_686 . ?
Nd2 Nd4 Nd1 55.614(9) . . ?
Nd3 Nd4 Nd1 60.833(9) . . ?
Nd3 Nd4 Nd2 59.997(10) . . ?
O2 Nd4 N3 139.90(17) . 4_686 ?
O2 Nd4 Nd1 34.13(11) . . ?
O2 Nd4 Nd2 35.99(11) . . ?
O2 Nd4 Nd3 78.35(10) . . ?
O2 Nd4 O3 68.36(15) . . ?
O2 Nd4 O4M 117.6(2) . . ?
O2 Nd4 O5M 73.56(16) . . ?
O3 Nd4 N3 128.51(19) . 4_686 ?
O3 Nd4 Nd1 36.57(11) . . ?
O3 Nd4 Nd2 73.38(12) . . ?
O3 Nd4 Nd3 36.79(11) . . ?
O3 Nd4 O4M 139.10(19) . . ?
O3 Nd4 O5M 140.11(17) . . ?
O4 Nd4 N3 147.53(16) . 4_686 ?
O4 Nd4 Nd1 73.74(10) . . ?
O4 Nd4 Nd2 34.72(11) . . ?
O4 Nd4 Nd3 37.78(11) . . ?
O4 Nd4 O2 68.52(15) . . ?
O4 Nd4 O3 69.20(16) . . ?
O4 Nd4 O4M 75.94(18) . . ?
O4 Nd4 O5M 107.45(17) . . ?
O4 Nd4 O2D 93.5(2) . . ?
O4M Nd4 N3 75.3(2) . 4_686 ?
O4M Nd4 Nd1 145.54(15) . . ?
O4M Nd4 Nd2 89.98(16) . . ?
O4M Nd4 Nd3 102.53(15) . . ?
O5M Nd4 N3 76.47(19) . 4_686 ?
O5M Nd4 Nd1 103.56(13) . . ?
O5M Nd4 Nd2 82.94(13) . . ?
O5M Nd4 Nd3 142.62(13) . . ?
O5M Nd4 O4M 70.5(2) . . ?
O2B Nd4 N3 71.90(18) . 4_686 ?
O2B Nd4 Nd1 66.16(13) . . ?
O2B Nd4 Nd2 115.10(14) . . ?
O2B Nd4 Nd3 113.56(14) . . ?
O2B Nd4 O2 79.55(18) . . ?
O2B Nd4 O3 76.84(17) . . ?
O2B Nd4 O4 139.80(16) . . ?
O2B Nd4 O4M 142.84(19) . . ?
O2B Nd4 O5M 85.2(2) . . ?
O2B Nd4 O2D 99.5(3) . . ?
O2D Nd4 N3 69.0(2) . 4_686 ?
O2D Nd4 Nd1 113.38(15) . . ?
O2D Nd4 Nd2 126.94(16) . . ?
O2D Nd4 Nd3 69.96(14) . . ?
O2D Nd4 O2 145.00(17) . . ?
O2D Nd4 O3 77.30(18) . . ?
O2D Nd4 O4M 84.3(3) . . ?
O2D Nd4 O5M 141.44(19) . . ?
Nd1 O1 Nd2 100.02(15) . . ?
Nd1 O1 H1 111.6 . . ?
Nd2 O1 H1 111.6 . . ?
Nd3 O1 Nd1 112.9(2) . . ?
Nd3 O1 Nd2 108.60(16) . . ?
Nd3 O1 H1 111.6 . . ?
Nd1 O2 Nd2 99.95(16) . . ?
Nd1 O2 Nd4 111.26(19) . . ?
Nd1 O2 H2 112.4 . . ?
Nd2 O2 Nd4 107.65(16) . . ?
Nd2 O2 H2 112.4 . . ?
Nd4 O2 H2 112.4 . . ?
Nd1 O3 H3 111.6 . . ?
Nd3 O3 Nd1 108.80(19) . . ?
Nd3 O3 Nd4 105.09(17) . . ?
Nd3 O3 H3 111.6 . . ?
Nd4 O3 Nd1 107.75(17) . . ?
Nd4 O3 H3 111.6 . . ?
Nd2 O4 Nd3 106.73(16) . . ?
Nd2 O4 H4 111.1 . . ?
Nd3 O4 H4 111.1 . . ?
Nd4 O4 Nd2 110.97(17) . . ?
Nd4 O4 Nd3 105.77(19) . . ?
Nd4 O4 H4 111.1 . . ?
Nd1 O1A Nd2 89.93(16) 2_556 2_556 ?
C1A O1A Nd1 148.7(5) . 2_556 ?
C1A O1A Nd2 88.1(5) . 2_556 ?
C1A O2A Nd2 96.4(5) . 2_556 ?
O1A C1A Nd2 67.3(4) . 2_556 ?
O1A C1A O2A 124.0(7) . . ?
O1A C1A C2A 116.8(7) . . ?
O2A C1A Nd2 59.1(4) . 2_556 ?
O2A C1A C2A 119.1(8) . . ?
C2A C1A Nd2 162.0(5) . 2_556 ?
C3A C2A C1A 121.2(8) . . ?
C3A C2A C5A 116.5(7) . . ?
C5A C2A C1A 122.2(7) . . ?
C2A C3A H3A 119.8 . . ?
C2A C3A C4A 120.4(8) . . ?
C4A C3A H3A 119.8 . . ?
C3A C4A H4A 118.4 . . ?
N1A C4A C3A 123.2(8) . . ?
N1A C4A H4A 118.4 . . ?
C2A C5A H5A 119.9 . . ?
C6A C5A C2A 120.1(8) . . ?
C6A C5A H5A 119.9 . . ?
C5A C6A H6A 118.1 . . ?
N1A C6A C5A 123.8(9) . . ?
N1A C6A H6A 118.1 . . ?
C4A N1A Nd1 117.9(5) . . ?
C4A N1A C6A 115.9(7) . . ?
C6A N1A Nd1 126.1(6) . . ?
C1B O1B Nd1 133.0(5) . . ?
C1B O2B Nd4 140.9(5) . . ?
O1B C1B O2B 126.6(7) . . ?
O1B C1B C2B 118.5(6) . . ?
O2B C1B C2B 114.9(7) . . ?
C3B C2B C1B 120.9(7) . . ?
C5B C2B C1B 121.5(7) . . ?
C5B C2B C3B 117.6(8) . . ?
C2B C3B H3B 120.8 . . ?
C4B C3B C2B 118.3(8) . . ?
C4B C3B H3B 120.8 . . ?
C3B C4B H4B 118.1 . . ?
N1B C4B C3B 123.8(8) . . ?
N1B C4B H4B 118.1 . . ?
C2B C5B H5B 120.0 . . ?
C6B C5B C2B 120.0(8) . . ?
C6B C5B H5B 120.0 . . ?
C5B C6B H6B 118.7 . . ?
N1B C6B C5B 122.5(9) . . ?
N1B C6B H6B 118.7 . . ?
C6B N1B C4B 117.7(8) . . ?
C1C O1C Nd2 131.3(6) . . ?
C1C O2C Nd3 141.8(5) . . ?
O1C C1C O2C 125.8(8) . . ?
O1C C1C C2C 116.7(8) . . ?
O2C C1C C2C 117.5(8) . . ?
C3C C2C C1C 121.4(8) . . ?
C3C C2C C5C 117.9(8) . . ?
C5C C2C C1C 120.6(8) . . ?
C2C C3C H3C 120.4 . . ?
C2C C3C C4C 119.1(10) . . ?
C4C C3C H3C 120.4 . . ?
C3C C4C H4C 118.1 . . ?
N1C C4C C3C 123.8(11) . . ?
N1C C4C H4C 118.1 . . ?
C2C C5C H5C 120.2 . . ?
C2C C5C C6C 119.6(10) . . ?
C6C C5C H5C 120.2 . . ?
C5C C6C H6C 118.3 . . ?
N1C C6C C5C 123.4(9) . . ?
N1C C6C H6C 118.3 . . ?
C4C N1C C6C 116.0(9) . . ?
C1D O1D Nd3 138.2(5) . . ?
C1D O2D Nd4 124.1(7) . . ?
O1D C1D C2D 116.1(7) . . ?
O2D C1D O1D 124.6(8) . . ?
O2D C1D C2D 119.2(8) . . ?
C3D C2D C1D 120.1(7) . . ?
C5D C2D C1D 121.5(7) . . ?
C5D C2D C3D 118.3(7) . . ?
C2D C3D H3D 120.4 . . ?
C4D C3D C2D 119.1(8) . . ?
C4D C3D H3D 120.4 . . ?
C3D C4D H4D 118.3 . . ?
N1D C4D C3D 123.3(7) . . ?
N1D C4D H4D 118.3 . . ?
C2D C5D H5D 120.7 . . ?
C2D C5D C6D 118.5(8) . . ?
C6D C5D H5D 120.7 . . ?
C5D C6D H6D 118.1 . . ?
N1D C6D C5D 123.8(9) . . ?
N1D C6D H6D 118.1 . . ?
C6D N1D C4D 116.9(7) . . ?
C1E O1E Nd3 123.8(11) . . ?
O1E C1E C2E 115.8(12) . . ?
O1E C1E N2E 127.2(12) . . ?
N2E C1E C2E 116.3(13) . . ?
C3E C2E C1E 118.7(17) . . ?
C3E C2E C5E 124.6(17) . . ?
C5E C2E C1E 116.7(14) . . ?
C2E C3E H3E 122.7 . . ?
C2E C3E C4E 114.7(19) . . ?
C4E C3E H3E 122.7 . . ?
C3E C4E H4E 118.8 . . ?
N1E C4E C3E 122(2) . . ?
N1E C4E H4E 118.8 . . ?
C2E C5E H5E 122.3 . . ?
C2E C5E C6E 115.4(19) . . ?
C6E C5E H5E 122.3 . . ?
C5E C6E H6E 119.2 . . ?
N1E C6E C5E 122(2) . . ?
N1E C6E H6E 119.2 . . ?
C6E N1E C4E 121(2) . . ?
C1E N2E H2E1 120.0 . . ?
C1E N2E H2E2 120.0 . . ?
H2E1 N2E H2E2 120.0 . . ?

_refine_diff_density_max         2.495
_refine_diff_density_min         -2.150
_refine_diff_density_rms         0.242



####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit74Tb
_database_code_depnum_ccdc_archive 'CCDC 1904283'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H44 N10 O24 Re6 S8 Tb4'
_chemical_formula_weight         2938.11

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.6022(7)
_cell_length_b                   12.3896(3)
_cell_length_c                   23.5464(7)
_cell_angle_alpha                90
_cell_angle_beta                 110.930(4)
_cell_angle_gamma                90
_cell_volume                     6158.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    22317
_cell_measurement_theta_min      3.42
_cell_measurement_theta_max      28.36

_exptl_crystal_description       stick
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.169
_exptl_crystal_F_000             5296
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    16.614
_shelx_estimated_absorpt_T_min   0.050
_shelx_estimated_absorpt_T_max   0.389
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.25313
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            52272
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.251
_diffrn_reflns_theta_max         28.541
_diffrn_reflns_theta_full        25.500
_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             14100
_reflns_number_gt                12531
_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.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0367P)²+53.1300P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14100
_refine_ls_number_parameters     885
_refine_ls_number_restraints     785
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0291
_refine_ls_wR_factor_ref         0.0743
_refine_ls_wR_factor_gt          0.0717
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.004
_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
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 . .


_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
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 ?

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
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) . . ?

_refine_diff_density_max         2.256
_refine_diff_density_min         -2.062
_refine_diff_density_rms         0.260



####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit74Ho
_database_code_depnum_ccdc_archive 'CCDC 1904285'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H42 Ho4 N10 O23 Re6 S8'
_chemical_formula_weight         2944.13

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'
Ho Ho -0.2175 4.6783 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.5433(12)
_cell_length_b                   12.3603(6)
_cell_length_c                   23.5047(13)
_cell_angle_alpha                90
_cell_angle_beta                 110.435(6)
_cell_angle_gamma                90
_cell_volume                     6137.2(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    13332
_cell_measurement_theta_min      3.62
_cell_measurement_theta_max      28.15

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.186
_exptl_crystal_F_000             5288
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    17.218
_shelx_estimated_absorpt_T_min   0.076
_shelx_estimated_absorpt_T_max   0.182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.41776
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            34548
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.225
_diffrn_reflns_theta_max         28.425
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             13011
_reflns_number_gt                12006
_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.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0247P)²+65.0800P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13011
_refine_ls_number_parameters     775
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0341
_refine_ls_wR_factor_ref         0.0759
_refine_ls_wR_factor_gt          0.0740
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.002
_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
Re1 Re 0.30344(2) 1.09244(3) 0.57255(2) 0.00896(7) Uani 1 1 d . . . . .
Re2 Re 0.32530(2) 1.29867(3) 0.58765(2) 0.00861(7) Uani 1 1 d . . . . .
Re3 Re 0.22885(2) 1.33833(3) 0.48984(2) 0.00791(7) Uani 1 1 d . . . . .
Re4 Re 0.20667(2) 1.13110(3) 0.47448(2) 0.00774(7) Uani 1 1 d . . . . .
Re5 Re 0.31813(2) 1.20827(3) 0.48538(2) 0.00790(7) Uani 1 1 d . . . . .
Re6 Re 0.21402(2) 1.22314(3) 0.57646(2) 0.00877(7) Uani 1 1 d . . . . .
S1 S 0.40312(9) 1.17221(18) 0.57939(9) 0.0134(4) Uani 1 1 d . . . . .
S2 S 0.33408(9) 1.39935(17) 0.50346(9) 0.0121(4) Uani 1 1 d . . . . .
S3 S 0.22463(9) 1.24451(17) 0.39844(8) 0.0107(4) Uani 1 1 d . . . . .
S4 S 0.29394(9) 1.01734(17) 0.47481(9) 0.0124(4) Uani 1 1 d . . . . .
S5 S 0.30650(10) 1.18671(18) 0.66343(9) 0.0146(4) Uani 1 1 d . . . . .
S6 S 0.23861(9) 1.41328(17) 0.58683(9) 0.0135(4) Uani 1 1 d . . . . .
S7 S 0.12904(9) 1.25831(17) 0.48248(9) 0.0122(4) Uani 1 1 d . . . . .
S8 S 0.19729(9) 1.03171(17) 0.55909(9) 0.0130(4) Uani 1 1 d . . . . .
C1 C 0.3493(4) 0.9573(7) 0.6247(4) 0.0135(17) Uani 1 1 d . . . . .
N1 N 0.3757(3) 0.8886(6) 0.6569(3) 0.0195(16) Uani 1 1 d . . . . .
C2 C 0.3934(4) 1.3963(7) 0.6517(4) 0.0146(17) Uani 1 1 d . . . . .
N2 N 0.4306(3) 1.4483(6) 0.6862(3) 0.0170(16) Uani 1 1 d . . . . .
C3 C 0.1879(4) 1.4847(7) 0.4467(4) 0.0148(18) Uani 1 1 d . . . . .
N3 N 0.1648(4) 1.5654(7) 0.4268(3) 0.0216(17) Uani 1 1 d . . . . .
C4 C 0.1348(4) 1.0381(7) 0.4103(3) 0.0129(17) Uani 1 1 d . . . . .
N4 N 0.0930(3) 0.9950(6) 0.3748(3) 0.0145(15) Uani 1 1 d . . . . .
C5 C 0.3791(4) 1.2128(7) 0.4333(3) 0.0114(17) Uani 1 1 d . . . . .
N5 N 0.4129(3) 1.2245(6) 0.4065(3) 0.0180(16) Uani 1 1 d . . . . .
C6 C 0.1529(4) 1.2402(7) 0.6274(4) 0.0144(17) Uani 1 1 d . . . . .
N6 N 0.1184(4) 1.2569(6) 0.6527(3) 0.0212(17) Uani 1 1 d . . . . .
Ho1 Ho 0.41514(2) 0.79591(3) 0.75640(2) 0.01102(8) Uani 1 1 d . . . . .
Ho2 Ho 0.50770(2) 0.54357(3) 0.77588(2) 0.00827(8) Uani 1 1 d . . . . .
Ho3 Ho 0.53604(2) 0.75313(3) 0.67552(2) 0.01006(8) Uani 1 1 d . . . . .
Ho4 Ho 0.59117(2) 0.80544(3) 0.84660(2) 0.01148(8) Uani 1 1 d . . . . .
O1 O 0.4565(2) 0.6732(5) 0.7022(2) 0.0109(12) Uani 1 1 d . . . . .
H1 H 0.422701 0.640763 0.666457 0.013 Uiso 1 1 calc R U . . .
O2 O 0.4981(2) 0.7039(4) 0.8276(2) 0.0105(11) Uani 1 1 d . . . . .
H2 H 0.489245 0.688123 0.865613 0.013 Uiso 1 1 calc R U . . .
O3 O 0.5123(2) 0.8562(5) 0.7487(2) 0.0121(12) Uani 1 1 d . . . . .
H3 H 0.512229 0.935657 0.740655 0.015 Uiso 1 1 calc R U . . .
O4 O 0.5826(2) 0.6742(5) 0.7735(2) 0.0099(11) Uani 1 1 d . . . . .
H4 H 0.624497 0.640642 0.778806 0.012 Uiso 1 1 calc R U . . .
O1M O 0.4525(3) 0.7230(6) 0.5822(3) 0.0312(17) Uani 1 1 d . . . . .
O2M O 0.5091(3) 0.9359(6) 0.6360(3) 0.0290(16) Uani 1 1 d . . . . .
O3M O 0.6903(3) 0.7138(5) 0.8915(3) 0.0263(15) Uani 1 1 d . . . . .
O4M O 0.5916(3) 0.7433(7) 0.9428(3) 0.043(2) Uani 1 1 d . . . . .
O1A O 0.0866(3) 1.0257(5) 0.7031(3) 0.0238(15) Uani 1 1 d . . . . .
O2A O 0.1506(3) 1.1491(6) 0.7657(3) 0.0270(15) Uani 1 1 d . . . . .
C1A C 0.1406(4) 1.0634(8) 0.7344(4) 0.026(2) Uani 1 1 d . . . . .
C2A C 0.1986(4) 0.9996(8) 0.7366(4) 0.023(2) Uani 1 1 d . . . . .
C3A C 0.1961(4) 0.9188(9) 0.6970(5) 0.030(2) Uani 1 1 d . . . . .
H3A H 0.157315 0.898900 0.666405 0.036 Uiso 1 1 calc R U . . .
C4A C 0.2539(4) 0.8646(9) 0.7029(5) 0.029(2) Uani 1 1 d . . . . .
H4A H 0.252619 0.808611 0.674796 0.035 Uiso 1 1 calc R U . . .
C5A C 0.2551(4) 1.0265(9) 0.7812(5) 0.031(2) Uani 1 1 d . . . . .
H5A H 0.257296 1.084371 0.808427 0.037 Uiso 1 1 calc R U . . .
C6A C 0.3088(5) 0.9672(8) 0.7855(4) 0.027(2) Uani 1 1 d . . . . .
H6A H 0.347212 0.982329 0.817761 0.033 Uiso 1 1 calc R U . . .
N1A N 0.3084(4) 0.8872(7) 0.7445(3) 0.0247(18) Uani 1 1 d . . . . .
O1B O 0.4376(3) 0.9573(5) 0.8073(3) 0.0262(15) Uani 1 1 d . . . . .
O2B O 0.5398(3) 0.9521(6) 0.8665(3) 0.0292(16) Uani 1 1 d . . . . .
C1B C 0.4918(4) 1.0026(8) 0.8341(4) 0.025(2) Uani 1 1 d . . . . .
C2B C 0.4951(4) 1.1216(8) 0.8229(4) 0.026(2) Uani 1 1 d . . . . .
C3B C 0.4416(5) 1.1847(8) 0.8048(5) 0.028(2) Uani 1 1 d . . . . .
H3B H 0.401495 1.154354 0.800350 0.033 Uiso 1 1 calc R U . . .
C4B C 0.4473(5) 1.2948(9) 0.7930(5) 0.032(2) Uani 1 1 d . . . . .
H4B H 0.409915 1.337469 0.779207 0.038 Uiso 1 1 calc R U . . .
C5B C 0.5544(5) 1.1695(8) 0.8277(4) 0.024(2) Uani 1 1 d . . . . .
H5B H 0.592447 1.128489 0.839399 0.029 Uiso 1 1 calc R U . . .
C6B C 0.5536(4) 1.2791(9) 0.8144(4) 0.027(2) Uani 1 1 d . . . . .
H6B H 0.592289 1.311108 0.815313 0.033 Uiso 1 1 calc R U . . .
N1B N 0.5030(3) 1.3428(6) 0.8004(3) 0.0204(17) Uani 1 1 d . . . . .
O1C O 0.5682(3) 0.4570(5) 0.7284(3) 0.0200(13) Uani 1 1 d . . . . .
O2C O 0.5621(3) 0.5779(5) 0.6555(3) 0.0213(14) Uani 1 1 d . . . . .
C1C C 0.5797(4) 0.4885(8) 0.6826(4) 0.0196(19) Uani 1 1 d . . . . .
C2C C 0.6187(4) 0.4144(8) 0.6592(4) 0.022(2) Uani 1 1 d . . . . .
C3C C 0.6323(5) 0.3105(8) 0.6813(5) 0.029(2) Uani 1 1 d . . . . .
H3C H 0.615548 0.282847 0.710217 0.035 Uiso 1 1 calc R U . . .
C4C C 0.6714(5) 0.2468(9) 0.6599(5) 0.035(3) Uani 1 1 d . . . . .
H4C H 0.679417 0.174526 0.674242 0.041 Uiso 1 1 calc R U . . .
C5C C 0.6437(5) 0.4502(9) 0.6157(4) 0.027(2) Uani 1 1 d . . . . .
H5C H 0.633656 0.520142 0.598297 0.032 Uiso 1 1 calc R U . . .
C6C C 0.6836(5) 0.3821(9) 0.5983(5) 0.032(2) Uani 1 1 d . . . . .
H6C H 0.701042 0.407908 0.569525 0.039 Uiso 1 1 calc R U . . .
N1C N 0.6985(4) 0.2813(7) 0.6204(4) 0.030(2) Uani 1 1 d . . . . .
O1D O 0.6315(3) 0.8374(5) 0.7126(3) 0.0162(13) Uani 1 1 d . . . . .
O2D O 0.6469(3) 0.9122(6) 0.8027(3) 0.0259(15) Uani 1 1 d . . . . .
N1D N 0.8025(3) 1.1027(7) 0.7311(3) 0.0226(17) Uani 1 1 d . . . . .
C1D C 0.6581(4) 0.9025(7) 0.7548(4) 0.0152(18) Uani 1 1 d . . . . .
C2D C 0.7078(4) 0.9748(7) 0.7467(4) 0.0159(18) Uani 1 1 d . . . . .
C3D C 0.7303(4) 0.9550(7) 0.6993(4) 0.0184(19) Uani 1 1 d . . . . .
H3D H 0.713107 0.898133 0.671147 0.022 Uiso 1 1 calc R U . . .
C4D C 0.7780(4) 1.0200(8) 0.6943(4) 0.024(2) Uani 1 1 d . . . . .
H4D H 0.794186 1.004754 0.662870 0.029 Uiso 1 1 calc R U . . .
C5D C 0.7332(4) 1.0602(8) 0.7853(4) 0.022(2) Uani 1 1 d . . . . .
H5D H 0.718430 1.076529 0.817570 0.026 Uiso 1 1 calc R U . . .
C6D C 0.7802(4) 1.1212(8) 0.7766(4) 0.024(2) Uani 1 1 d . . . . .
H6D H 0.797875 1.179128 0.803852 0.028 Uiso 1 1 calc R U . . .
O1W O 0.3400(4) 0.6430(6) 0.5831(3) 0.0408(19) Uani 1 1 d . . . . .
O2W O 0.7342(5) 0.7283(8) 1.0309(4) 0.055(3) Uani 0.875 1 d . U P . .
O3W O 0.4852(5) 0.6047(9) 0.9404(4) 0.056(3) Uani 0.875 1 d . U P . .
O4W O 0.4690(6) 0.7464(12) 0.4728(5) 0.067(4) Uani 0.75 1 d . U P . .
O5W O 0.4759(6) 1.3740(11) 0.9359(5) 0.060(3) Uani 0.75 1 d . . P . .
O6W O 0.4876(8) 0.4733(17) 0.5413(8) 0.052(4) Uani 0.5 1 d . U P . .
O7W O 0.5748(9) 1.0511(15) 0.5766(9) 0.057(5) Uani 0.5 1 d . U P . .
O8W O 0.6303(9) 0.7931(18) 1.0738(11) 0.084(7) Uani 0.5 1 d . . P . .
O9W O 0.5628(11) 0.958(2) 1.0040(10) 0.087(7) Uani 0.5 1 d . U P . .
O10W O 0.5322(16) 1.013(3) 0.5360(14) 0.045(8) Uani 0.25 1 d . U P . .
O11W O 0.4908(14) 0.397(3) 0.5538(14) 0.059(8) Uani 0.3 1 d . U P . .
O12W O 0.561(2) 1.009(4) 1.035(2) 0.059(12) Uani 0.2 1 d . U P . .


_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
Re1 Re2 2.5971(5) . yes
Re1 Re4 2.6055(5) . yes
Re1 Re5 2.6137(4) . yes
Re1 Re6 2.6097(4) . yes
Re1 S1 2.407(2) . yes
Re1 S4 2.417(2) . yes
Re1 S5 2.413(2) . yes
Re1 S8 2.421(2) . yes
Re1 C1 2.116(8) . yes
Re2 Re3 2.6006(5) . yes
Re2 Re5 2.6042(4) . yes
Re2 Re6 2.6026(4) . yes
Re2 S1 2.408(2) . yes
Re2 S2 2.403(2) . yes
Re2 S5 2.407(2) . yes
Re2 S6 2.408(2) . yes
Re2 C2 2.113(8) . yes
Re3 Re4 2.6105(5) . yes
Re3 Re5 2.6065(4) . yes
Re3 Re6 2.5998(4) . yes
Re3 S2 2.4017(19) . yes
Re3 S3 2.4139(19) . yes
Re3 S6 2.399(2) . yes
Re3 S7 2.408(2) . yes
Re3 C3 2.121(9) . yes
Re4 Re5 2.6152(4) . yes
Re4 Re6 2.6058(4) . yes
Re4 S3 2.414(2) . yes
Re4 S4 2.416(2) . yes
Re4 S7 2.408(2) . yes
Re4 S8 2.409(2) . yes
Re4 C4 2.126(8) . yes
Re5 S1 2.4074(19) . yes
Re5 S2 2.404(2) . yes
Re5 S3 2.4107(19) . yes
Re5 S4 2.415(2) . yes
Re5 C5 2.137(8) . yes
Re6 S5 2.398(2) . yes
Re6 S6 2.407(2) . yes
Re6 S7 2.405(2) . yes
Re6 S8 2.408(2) . yes
Re6 C6 2.127(8) . yes
C1 N1 1.155(11) . ?
N1 Ho1 2.474(7) . ?
C2 N2 1.139(10) . ?
N2 Ho2 2.509(7) 1_565 ?
C3 N3 1.147(11) . ?
N3 Ho4 2.583(8) 4_585 ?
C4 N4 1.148(10) . ?
N4 Ho2 2.491(7) 4_575 ?
C5 N5 1.154(10) . ?
N5 Ho3 2.582(7) 3_676 ?
C6 N6 1.152(11) . ?
N6 Ho1 2.548(7) 2_556 ?
Ho1 Ho2 3.6911(5) . yes
Ho1 Ho3 3.8652(5) . yes
Ho1 Ho4 3.7923(6) . yes
Ho1 O1 2.372(5) . yes
Ho1 O2 2.325(5) . yes
Ho1 O3 2.380(5) . yes
Ho1 O2A 2.285(7) 2_546 yes
Ho1 N1A 2.584(8) . yes
Ho1 O1B 2.289(6) . yes
Ho2 Ho3 3.7060(5) . yes
Ho2 Ho4 3.8206(5) . yes
Ho2 O1 2.347(5) . yes
Ho2 O2 2.374(5) . yes
Ho2 O4 2.350(5) . yes
Ho2 O1A 2.356(6) 2_546 yes
Ho2 N1B 2.558(7) 1_545 yes
Ho2 O1C 2.306(6) . yes
Ho3 Ho4 3.8266(6) . yes
Ho3 O1 2.316(5) . yes
Ho3 O3 2.347(5) . yes
Ho3 O4 2.382(5) . yes
Ho3 O1M 2.369(6) . yes
Ho3 O2M 2.437(7) . yes
Ho3 O2C 2.335(6) . yes
Ho3 O1D 2.273(5) . yes
Ho4 O2 2.351(5) . yes
Ho4 O3 2.449(5) . yes
Ho4 O4 2.320(5) . yes
Ho4 O3M 2.397(6) . yes
Ho4 O4M 2.386(7) . yes
Ho4 O2B 2.286(7) . yes
Ho4 O2D 2.300(6) . yes
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.270(11) . ?
O2A C1A 1.265(12) . ?
C1A C2A 1.512(12) . ?
C2A C3A 1.353(14) . ?
C2A C5A 1.379(13) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.429(13) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.306(12) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.388(13) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.377(13) . ?
O1B C1B 1.292(11) . ?
O2B C1B 1.251(11) . ?
C1B C2B 1.500(14) . ?
C2B C3B 1.374(13) . ?
C2B C5B 1.430(13) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.403(14) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.345(12) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.389(14) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.330(12) . ?
O1C C1C 1.252(10) . ?
O2C C1C 1.268(11) . ?
C1C C2C 1.501(12) . ?
C2C C3C 1.379(13) . ?
C2C C5C 1.401(13) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.399(14) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.345(13) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.392(13) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.346(13) . ?
O1D C1D 1.256(10) . ?
O2D C1D 1.243(10) . ?
N1D C4D 1.329(12) . ?
N1D C6D 1.351(11) . ?
C1D C2D 1.495(11) . ?
C2D C3D 1.398(12) . ?
C2D C5D 1.380(13) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.380(12) . ?
C4D H4D 0.9500 . ?
C5D H5D 0.9500 . ?
C5D C6D 1.373(12) . ?
C6D H6D 0.9500 . ?

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
Re2 Re1 Re4 90.071(14) . . ?
Re2 Re1 Re5 59.968(12) . . ?
Re2 Re1 Re6 59.979(12) . . ?
Re4 Re1 Re5 60.142(12) . . ?
Re4 Re1 Re6 59.954(12) . . ?
Re6 Re1 Re5 89.966(14) . . ?
S1 Re1 Re2 57.36(5) . . ?
S1 Re1 Re4 117.23(5) . . ?
S1 Re1 Re5 57.12(5) . . ?
S1 Re1 Re6 117.29(5) . . ?
S1 Re1 S4 89.52(7) . . ?
S1 Re1 S5 90.32(7) . . ?
S1 Re1 S8 173.08(7) . . ?
S4 Re1 Re2 117.16(5) . . ?
S4 Re1 Re4 57.36(5) . . ?
S4 Re1 Re5 57.23(5) . . ?
S4 Re1 Re6 117.26(5) . . ?
S4 Re1 S8 90.07(7) . . ?
S5 Re1 Re2 57.29(5) . . ?
S5 Re1 Re4 116.81(5) . . ?
S5 Re1 Re5 117.20(5) . . ?
S5 Re1 Re6 56.88(5) . . ?
S5 Re1 S4 173.01(7) . . ?
S5 Re1 S8 89.25(7) . . ?
S8 Re1 Re2 117.00(5) . . ?
S8 Re1 Re4 57.13(5) . . ?
S8 Re1 Re5 117.22(5) . . ?
S8 Re1 Re6 57.06(5) . . ?
C1 Re1 Re2 131.7(2) . . ?
C1 Re1 Re4 138.2(2) . . ?
C1 Re1 Re5 135.8(2) . . ?
C1 Re1 Re6 134.0(2) . . ?
C1 Re1 S1 91.7(2) . . ?
C1 Re1 S4 96.4(2) . . ?
C1 Re1 S5 90.6(2) . . ?
C1 Re1 S8 95.2(2) . . ?
Re1 Re2 Re3 90.224(13) . . ?
Re1 Re2 Re5 60.332(12) . . ?
Re1 Re2 Re6 60.251(12) . . ?
Re3 Re2 Re5 60.104(12) . . ?
Re3 Re2 Re6 59.956(12) . . ?
Re6 Re2 Re5 90.332(14) . . ?
S1 Re2 Re1 57.36(5) . . ?
S1 Re2 Re3 117.32(5) . . ?
S1 Re2 Re5 57.26(5) . . ?
S1 Re2 Re6 117.56(5) . . ?
S1 Re2 S6 173.38(7) . . ?
S2 Re2 Re1 117.51(5) . . ?
S2 Re2 Re3 57.20(5) . . ?
S2 Re2 Re5 57.22(5) . . ?
S2 Re2 Re6 117.13(5) . . ?
S2 Re2 S1 89.89(7) . . ?
S2 Re2 S5 173.32(7) . . ?
S2 Re2 S6 89.35(7) . . ?
S5 Re2 Re1 57.51(5) . . ?
S5 Re2 Re3 116.97(5) . . ?
S5 Re2 Re5 117.78(5) . . ?
S5 Re2 Re6 57.04(5) . . ?
S5 Re2 S1 90.45(7) . . ?
S5 Re2 S6 89.54(7) . . ?
S6 Re2 Re1 117.48(5) . . ?
S6 Re2 Re3 57.07(5) . . ?
S6 Re2 Re5 117.15(5) . . ?
S6 Re2 Re6 57.27(5) . . ?
C2 Re2 Re1 135.5(2) . . ?
C2 Re2 Re3 134.2(2) . . ?
C2 Re2 Re5 134.3(2) . . ?
C2 Re2 Re6 135.4(2) . . ?
C2 Re2 S1 93.4(2) . . ?
C2 Re2 S2 92.5(2) . . ?
C2 Re2 S5 94.2(2) . . ?
C2 Re2 S6 93.2(2) . . ?
Re2 Re3 Re4 89.885(14) . . ?
Re2 Re3 Re5 60.017(12) . . ?
Re5 Re3 Re4 60.171(12) . . ?
Re6 Re3 Re2 60.061(12) . . ?
Re6 Re3 Re4 60.015(12) . . ?
Re6 Re3 Re5 90.343(14) . . ?
S2 Re3 Re2 57.27(5) . . ?
S2 Re3 Re4 117.33(5) . . ?
S2 Re3 Re5 57.21(5) . . ?
S2 Re3 Re6 117.30(5) . . ?
S2 Re3 S3 89.98(7) . . ?
S2 Re3 S7 173.29(7) . . ?
S3 Re3 Re2 117.21(5) . . ?
S3 Re3 Re4 57.28(5) . . ?
S3 Re3 Re5 57.24(5) . . ?
S3 Re3 Re6 117.26(5) . . ?
S6 Re3 Re2 57.43(5) . . ?
S6 Re3 Re4 117.39(5) . . ?
S6 Re3 Re5 117.43(5) . . ?
S6 Re3 Re6 57.42(5) . . ?
S6 Re3 S2 89.62(7) . . ?
S6 Re3 S3 173.45(7) . . ?
S6 Re3 S7 90.01(7) . . ?
S7 Re3 Re2 117.26(5) . . ?
S7 Re3 Re4 57.18(5) . . ?
S7 Re3 Re5 117.33(5) . . ?
S7 Re3 Re6 57.25(5) . . ?
S7 Re3 S3 89.62(7) . . ?
C3 Re3 Re2 132.3(2) . . ?
C3 Re3 Re4 137.8(2) . . ?
C3 Re3 Re5 136.1(2) . . ?
C3 Re3 Re6 133.5(2) . . ?
C3 Re3 S2 92.3(2) . . ?
C3 Re3 S3 96.3(2) . . ?
C3 Re3 S6 90.3(2) . . ?
C3 Re3 S7 94.4(2) . . ?
Re1 Re4 Re3 89.819(14) . . ?
Re1 Re4 Re5 60.084(12) . . ?
Re1 Re4 Re6 60.102(12) . . ?
Re3 Re4 Re5 59.837(12) . . ?
Re6 Re4 Re3 59.789(12) . . ?
Re6 Re4 Re5 90.018(14) . . ?
S3 Re4 Re1 117.16(5) . . ?
S3 Re4 Re3 57.26(5) . . ?
S3 Re4 Re5 57.11(5) . . ?
S3 Re4 Re6 117.02(5) . . ?
S3 Re4 S4 89.62(7) . . ?
S4 Re4 Re1 57.39(5) . . ?
S4 Re4 Re3 117.01(5) . . ?
S4 Re4 Re5 57.22(5) . . ?
S4 Re4 Re6 117.45(5) . . ?
S7 Re4 Re1 117.22(5) . . ?
S7 Re4 Re3 57.17(5) . . ?
S7 Re4 Re5 116.98(5) . . ?
S7 Re4 Re6 57.16(5) . . ?
S7 Re4 S3 89.60(7) . . ?
S7 Re4 S4 173.13(7) . . ?
S7 Re4 S8 89.59(7) . . ?
S8 Re4 Re1 57.57(5) . . ?
S8 Re4 Re3 117.00(5) . . ?
S8 Re4 Re5 117.61(5) . . ?
S8 Re4 Re6 57.24(5) . . ?
S8 Re4 S3 173.24(7) . . ?
S8 Re4 S4 90.38(7) . . ?
C4 Re4 Re1 136.4(2) . . ?
C4 Re4 Re3 133.7(2) . . ?
C4 Re4 Re5 137.3(2) . . ?
C4 Re4 Re6 132.6(2) . . ?
C4 Re4 S3 94.1(2) . . ?
C4 Re4 S4 96.1(2) . . ?
C4 Re4 S7 90.8(2) . . ?
C4 Re4 S8 92.6(2) . . ?
Re1 Re5 Re4 59.774(12) . . ?
Re2 Re5 Re1 59.700(12) . . ?
Re2 Re5 Re3 59.879(13) . . ?
Re2 Re5 Re4 89.703(14) . . ?
Re3 Re5 Re1 89.729(14) . . ?
Re3 Re5 Re4 59.992(12) . . ?
S1 Re5 Re1 57.12(5) . . ?
S1 Re5 Re2 57.26(5) . . ?
S1 Re5 Re3 117.10(5) . . ?
S1 Re5 Re4 116.87(5) . . ?
S1 Re5 S3 173.00(7) . . ?
S1 Re5 S4 89.56(7) . . ?
S2 Re5 Re1 116.84(5) . . ?
S2 Re5 Re2 57.19(5) . . ?
S2 Re5 Re3 57.11(5) . . ?
S2 Re5 Re4 117.05(5) . . ?
S2 Re5 S1 89.86(7) . . ?
S2 Re5 S3 89.99(7) . . ?
S2 Re5 S4 172.92(7) . . ?
S3 Re5 Re1 116.98(5) . . ?
S3 Re5 Re2 117.19(5) . . ?
S3 Re5 Re3 57.36(5) . . ?
S3 Re5 Re4 57.24(5) . . ?
S3 Re5 S4 89.72(7) . . ?
S4 Re5 Re1 57.28(5) . . ?
S4 Re5 Re2 116.95(5) . . ?
S4 Re5 Re3 117.19(5) . . ?
S4 Re5 Re4 57.24(5) . . ?
C5 Re5 Re1 138.3(2) . . ?
C5 Re5 Re2 132.3(2) . . ?
C5 Re5 Re3 131.9(2) . . ?
C5 Re5 Re4 137.9(2) . . ?
C5 Re5 S1 93.8(2) . . ?
C5 Re5 S2 89.4(2) . . ?
C5 Re5 S3 93.2(2) . . ?
C5 Re5 S4 97.7(2) . . ?
Re2 Re6 Re1 59.771(12) . . ?
Re2 Re6 Re4 89.945(14) . . ?
Re3 Re6 Re1 89.962(14) . . ?
Re3 Re6 Re2 59.983(12) . . ?
Re3 Re6 Re4 60.196(12) . . ?
Re4 Re6 Re1 59.944(12) . . ?
S5 Re6 Re1 57.42(5) . . ?
S5 Re6 Re2 57.37(5) . . ?
S5 Re6 Re3 117.33(5) . . ?
S5 Re6 Re4 117.34(5) . . ?
S5 Re6 S6 89.78(7) . . ?
S5 Re6 S7 173.45(7) . . ?
S5 Re6 S8 89.89(7) . . ?
S6 Re6 Re1 117.04(5) . . ?
S6 Re6 Re2 57.31(5) . . ?
S6 Re6 Re3 57.09(5) . . ?
S6 Re6 Re4 117.24(5) . . ?
S6 Re6 S8 173.31(7) . . ?
S7 Re6 Re1 117.19(5) . . ?
S7 Re6 Re2 117.30(5) . . ?
S7 Re6 Re3 57.36(5) . . ?
S7 Re6 Re4 57.29(5) . . ?
S7 Re6 S6 89.88(7) . . ?
S7 Re6 S8 89.68(7) . . ?
S8 Re6 Re1 57.52(5) . . ?
S8 Re6 Re2 117.26(5) . . ?
S8 Re6 Re3 117.42(5) . . ?
S8 Re6 Re4 57.26(5) . . ?
C6 Re6 Re1 137.8(2) . . ?
C6 Re6 Re2 134.3(2) . . ?
C6 Re6 Re3 132.2(2) . . ?
C6 Re6 Re4 135.7(2) . . ?
C6 Re6 S5 94.6(2) . . ?
C6 Re6 S6 91.0(2) . . ?
C6 Re6 S7 92.0(2) . . ?
C6 Re6 S8 95.7(2) . . ?
Re1 S1 Re2 65.28(5) . . ?
Re5 S1 Re1 65.75(5) . . ?
Re5 S1 Re2 65.48(5) . . ?
Re2 S2 Re5 65.59(5) . . ?
Re3 S2 Re2 65.53(5) . . ?
Re3 S2 Re5 65.68(5) . . ?
Re3 S3 Re4 65.46(5) . . ?
Re5 S3 Re3 65.40(5) . . ?
Re5 S3 Re4 65.64(5) . . ?
Re4 S4 Re1 65.25(5) . . ?
Re5 S4 Re1 65.49(5) . . ?
Re5 S4 Re4 65.55(5) . . ?
Re2 S5 Re1 65.20(5) . . ?
Re6 S5 Re1 65.70(5) . . ?
Re6 S5 Re2 65.58(5) . . ?
Re3 S6 Re2 65.50(5) . . ?
Re3 S6 Re6 65.49(5) . . ?
Re6 S6 Re2 65.42(5) . . ?
Re3 S7 Re4 65.64(5) . . ?
Re6 S7 Re3 65.39(5) . . ?
Re6 S7 Re4 65.56(5) . . ?
Re4 S8 Re1 65.30(5) . . ?
Re6 S8 Re1 65.42(5) . . ?
Re6 S8 Re4 65.50(5) . . ?
N1 C1 Re1 174.9(7) . . ?
C1 N1 Ho1 153.2(7) . . ?
N2 C2 Re2 179.4(8) . . ?
C2 N2 Ho2 169.9(7) . 1_565 ?
N3 C3 Re3 175.4(7) . . ?
C3 N3 Ho4 156.9(7) . 4_585 ?
N4 C4 Re4 174.6(7) . . ?
C4 N4 Ho2 159.5(6) . 4_575 ?
N5 C5 Re5 174.0(8) . . ?
C5 N5 Ho3 166.3(6) . 3_676 ?
N6 C6 Re6 174.8(8) . . ?
C6 N6 Ho1 156.8(7) . 2_556 ?
N1 Ho1 N6 140.0(2) . 2_546 ?
N1 Ho1 Ho2 120.64(18) . . ?
N1 Ho1 Ho3 71.39(17) . . ?
N1 Ho1 Ho4 118.34(16) . . ?
N1 Ho1 N1A 71.5(2) . . ?
N6 Ho1 Ho2 93.25(17) 2_546 . ?
N6 Ho1 Ho3 148.55(17) 2_546 . ?
N6 Ho1 Ho4 95.54(17) 2_546 . ?
N6 Ho1 N1A 68.6(2) 2_546 . ?
Ho2 Ho1 Ho3 58.687(10) . . ?
Ho2 Ho1 Ho4 61.382(10) . . ?
Ho4 Ho1 Ho3 59.954(10) . . ?
O1 Ho1 N1 82.4(2) . . ?
O1 Ho1 N6 128.1(2) . 2_546 ?
O1 Ho1 Ho2 38.29(13) . . ?
O1 Ho1 Ho3 33.99(13) . . ?
O1 Ho1 Ho4 77.83(12) . . ?
O1 Ho1 O3 67.28(19) . . ?
O1 Ho1 N1A 138.4(2) . . ?
O2 Ho1 N1 147.2(2) . . ?
O2 Ho1 N6 72.8(2) . 2_546 ?
O2 Ho1 Ho2 38.70(13) . . ?
O2 Ho1 Ho3 76.06(13) . . ?
O2 Ho1 Ho4 36.03(13) . . ?
O2 Ho1 O1 72.88(18) . . ?
O2 Ho1 O3 71.22(19) . . ?
O2 Ho1 N1A 140.9(2) . . ?
O3 Ho1 N1 79.6(2) . . ?
O3 Ho1 N6 132.4(2) . 2_546 ?
O3 Ho1 Ho2 77.21(14) . . ?
O3 Ho1 Ho3 34.85(13) . . ?
O3 Ho1 Ho4 38.90(13) . . ?
O3 Ho1 N1A 134.6(2) . . ?
O2A Ho1 N1 99.3(2) 2_546 . ?
O2A Ho1 N6 71.4(2) 2_546 2_546 ?
O2A Ho1 Ho2 69.57(17) 2_546 . ?
O2A Ho1 Ho3 106.99(16) 2_546 . ?
O2A Ho1 Ho4 128.39(17) 2_546 . ?
O2A Ho1 O1 73.5(2) 2_546 . ?
O2A Ho1 O2 94.0(2) 2_546 . ?
O2A Ho1 O3 140.6(2) 2_546 . ?
O2A Ho1 N1A 79.4(3) 2_546 . ?
O2A Ho1 O1B 144.9(2) 2_546 . ?
N1A Ho1 Ho2 147.91(18) . . ?
N1A Ho1 Ho3 142.85(16) . . ?
N1A Ho1 Ho4 143.17(19) . . ?
O1B Ho1 N1 91.8(3) . . ?
O1B Ho1 N6 78.7(2) . 2_546 ?
O1B Ho1 Ho2 131.22(16) . . ?
O1B Ho1 Ho3 108.11(16) . . ?
O1B Ho1 Ho4 71.55(16) . . ?
O1B Ho1 O1 141.3(2) . . ?
O1B Ho1 O2 94.3(2) . . ?
O1B Ho1 O3 74.1(2) . . ?
O1B Ho1 N1A 72.8(2) . . ?
N2 Ho2 Ho1 95.54(17) 1_545 . ?
N2 Ho2 Ho3 90.94(16) 1_545 . ?
N2 Ho2 Ho4 148.75(17) 1_545 . ?
N2 Ho2 N1B 70.3(2) 1_545 1_545 ?
N4 Ho2 N2 141.0(2) 4_676 1_545 ?
N4 Ho2 Ho1 119.74(16) 4_676 . ?
N4 Ho2 Ho3 118.66(16) 4_676 . ?
N4 Ho2 Ho4 69.75(16) 4_676 . ?
N4 Ho2 N1B 71.5(2) 4_676 1_545 ?
Ho1 Ho2 Ho3 63.003(10) . . ?
Ho1 Ho2 Ho4 60.614(11) . . ?
Ho3 Ho2 Ho4 61.093(10) . . ?
O1 Ho2 N2 71.5(2) . 1_545 ?
O1 Ho2 N4 147.2(2) . 4_676 ?
O1 Ho2 Ho1 38.78(12) . . ?
O1 Ho2 Ho3 37.07(13) . . ?
O1 Ho2 Ho4 77.47(13) . . ?
O1 Ho2 O2 72.47(18) . . ?
O1 Ho2 O4 71.65(18) . . ?
O1 Ho2 O1A 88.4(2) . 2_546 ?
O1 Ho2 N1B 141.3(2) . 1_545 ?
O2 Ho2 N2 131.4(2) . 1_545 ?
O2 Ho2 N4 82.0(2) . 4_676 ?
O2 Ho2 Ho1 37.76(12) . . ?
O2 Ho2 Ho3 79.02(13) . . ?
O2 Ho2 Ho4 35.83(13) . . ?
O2 Ho2 N1B 132.5(2) . 1_545 ?
O4 Ho2 N2 126.6(2) . 1_545 ?
O4 Ho2 N4 80.0(2) . 4_676 ?
O4 Ho2 Ho1 78.22(13) . . ?
O4 Ho2 Ho3 38.75(12) . . ?
O4 Ho2 Ho4 34.85(13) . . ?
O4 Ho2 O2 68.48(18) . . ?
O4 Ho2 O1A 141.0(2) . 2_546 ?
O4 Ho2 N1B 139.3(2) . 1_545 ?
O1A Ho2 N2 73.8(2) 2_546 1_545 ?
O1A Ho2 N4 104.2(2) 2_546 4_676 ?
O1A Ho2 Ho1 65.98(17) 2_546 . ?
O1A Ho2 Ho3 124.62(17) 2_546 . ?
O1A Ho2 Ho4 109.38(16) 2_546 . ?
O1A Ho2 O2 73.8(2) 2_546 . ?
O1A Ho2 N1B 75.5(2) 2_546 1_545 ?
N1B Ho2 Ho1 141.41(16) 1_545 . ?
N1B Ho2 Ho3 148.35(18) 1_545 . ?
N1B Ho2 Ho4 140.95(17) 1_545 . ?
O1C Ho2 N2 74.3(2) . 1_545 ?
O1C Ho2 N4 88.2(2) . 4_676 ?
O1C Ho2 Ho1 137.42(15) . . ?
O1C Ho2 Ho3 75.71(15) . . ?
O1C Ho2 Ho4 108.58(15) . . ?
O1C Ho2 O1 100.4(2) . . ?
O1C Ho2 O2 144.1(2) . . ?
O1C Ho2 O4 75.9(2) . . ?
O1C Ho2 O1A 142.0(2) . 2_546 ?
O1C Ho2 N1B 74.8(2) . 1_545 ?
N5 Ho3 Ho1 158.00(16) 3_676 . ?
N5 Ho3 Ho2 140.43(17) 3_676 . ?
N5 Ho3 Ho4 134.50(16) 3_676 . ?
Ho2 Ho3 Ho1 58.310(10) . . ?
Ho2 Ho3 Ho4 60.931(10) . . ?
Ho4 Ho3 Ho1 59.078(10) . . ?
O1 Ho3 N5 146.7(2) . 3_676 ?
O1 Ho3 Ho1 34.93(13) . . ?
O1 Ho3 Ho2 37.65(13) . . ?
O1 Ho3 Ho4 77.65(13) . . ?
O1 Ho3 O3 68.74(19) . . ?
O1 Ho3 O4 71.63(18) . . ?
O1 Ho3 O1M 75.1(2) . . ?
O1 Ho3 O2M 112.6(2) . . ?
O1 Ho3 O2C 86.1(2) . . ?
O3 Ho3 N5 139.8(2) . 3_676 ?
O3 Ho3 Ho1 35.42(13) . . ?
O3 Ho3 Ho2 77.23(14) . . ?
O3 Ho3 Ho4 38.00(13) . . ?
O3 Ho3 O4 69.49(19) . . ?
O3 Ho3 O1M 116.9(2) . . ?
O3 Ho3 O2M 71.7(2) . . ?
O4 Ho3 N5 127.3(2) . 3_676 ?
O4 Ho3 Ho1 74.22(12) . . ?
O4 Ho3 Ho2 38.14(13) . . ?
O4 Ho3 Ho4 35.00(13) . . ?
O4 Ho3 O2M 135.7(2) . . ?
O1M Ho3 N5 75.1(2) . 3_676 ?
O1M Ho3 Ho1 90.47(16) . . ?
O1M Ho3 Ho2 102.81(17) . . ?
O1M Ho3 Ho4 149.46(16) . . ?
O1M Ho3 O4 140.4(2) . . ?
O1M Ho3 O2M 77.3(3) . . ?
O2M Ho3 N5 74.5(2) . 3_676 ?
O2M Ho3 Ho1 86.34(15) . . ?
O2M Ho3 Ho2 144.60(15) . . ?
O2M Ho3 Ho4 100.98(16) . . ?
O2C Ho3 N5 74.9(2) . 3_676 ?
O2C Ho3 Ho1 119.77(15) . . ?
O2C Ho3 Ho2 65.88(15) . . ?
O2C Ho3 Ho4 110.86(15) . . ?
O2C Ho3 O3 142.1(2) . . ?
O2C Ho3 O4 76.0(2) . . ?
O2C Ho3 O1M 80.9(2) . . ?
O2C Ho3 O2M 146.1(2) . . ?
O1D Ho3 N5 68.2(2) . 3_676 ?
O1D Ho3 Ho1 119.01(15) . . ?
O1D Ho3 Ho2 115.28(15) . . ?
O1D Ho3 Ho4 66.63(14) . . ?
O1D Ho3 O1 144.15(19) . . ?
O1D Ho3 O3 84.2(2) . . ?
O1D Ho3 O4 77.22(19) . . ?
O1D Ho3 O1M 140.1(2) . . ?
O1D Ho3 O2M 78.3(2) . . ?
O1D Ho3 O2C 103.3(2) . . ?
N3 Ho4 Ho1 135.05(17) 4_686 . ?
N3 Ho4 Ho2 159.13(18) 4_686 . ?
N3 Ho4 Ho3 139.60(17) 4_686 . ?
Ho1 Ho4 Ho2 58.004(10) . . ?
Ho1 Ho4 Ho3 60.968(11) . . ?
Ho2 Ho4 Ho3 57.976(10) . . ?
O2 Ho4 N3 140.6(2) . 4_686 ?
O2 Ho4 Ho1 35.57(13) . . ?
O2 Ho4 Ho2 36.24(13) . . ?
O2 Ho4 Ho3 76.66(13) . . ?
O2 Ho4 O3 69.58(18) . . ?
O2 Ho4 O3M 117.7(2) . . ?
O2 Ho4 O4M 73.5(2) . . ?
O3 Ho4 N3 126.8(2) . 4_686 ?
O3 Ho4 Ho1 37.60(12) . . ?
O3 Ho4 Ho2 73.88(13) . . ?
O3 Ho4 Ho3 36.15(13) . . ?
O4 Ho4 N3 147.0(2) . 4_686 ?
O4 Ho4 Ho1 76.33(13) . . ?
O4 Ho4 Ho2 35.37(13) . . ?
O4 Ho4 Ho3 36.07(13) . . ?
O4 Ho4 O2 69.36(18) . . ?
O4 Ho4 O3 68.75(18) . . ?
O4 Ho4 O3M 79.6(2) . . ?
O4 Ho4 O4M 116.6(3) . . ?
O3M Ho4 N3 73.0(2) . 4_686 ?
O3M Ho4 Ho1 149.82(16) . . ?
O3M Ho4 Ho2 91.90(16) . . ?
O3M Ho4 Ho3 107.05(16) . . ?
O3M Ho4 O3 142.6(2) . . ?
O4M Ho4 N3 73.6(3) . 4_686 ?
O4M Ho4 Ho1 100.19(18) . . ?
O4M Ho4 Ho2 88.7(2) . . ?
O4M Ho4 Ho3 146.5(2) . . ?
O4M Ho4 O3 137.3(2) . . ?
O4M Ho4 O3M 74.7(3) . . ?
O2B Ho4 N3 66.6(2) . 4_686 ?
O2B Ho4 Ho1 68.46(17) . . ?
O2B Ho4 Ho2 123.57(18) . . ?
O2B Ho4 Ho3 110.32(16) . . ?
O2B Ho4 O2 88.8(2) . . ?
O2B Ho4 O3 74.7(2) . . ?
O2B Ho4 O4 142.0(2) . . ?
O2B Ho4 O3M 138.3(2) . . ?
O2B Ho4 O4M 84.0(3) . . ?
O2B Ho4 O2D 91.9(3) . . ?
O2D Ho4 N3 70.2(2) . 4_686 ?
O2D Ho4 Ho1 113.32(16) . . ?
O2D Ho4 Ho2 123.64(16) . . ?
O2D Ho4 Ho3 69.71(15) . . ?
O2D Ho4 O2 144.3(2) . . ?
O2D Ho4 O3 76.3(2) . . ?
O2D Ho4 O4 89.2(2) . . ?
O2D Ho4 O3M 84.1(2) . . ?
O2D Ho4 O4M 142.0(2) . . ?
Ho1 O1 H1 112.3 . . ?
Ho2 O1 Ho1 102.9(2) . . ?
Ho2 O1 H1 112.3 . . ?
Ho3 O1 Ho1 111.1(2) . . ?
Ho3 O1 Ho2 105.3(2) . . ?
Ho3 O1 H1 112.3 . . ?
Ho1 O2 Ho2 103.5(2) . . ?
Ho1 O2 Ho4 108.4(2) . . ?
Ho1 O2 H2 112.2 . . ?
Ho2 O2 H2 112.2 . . ?
Ho4 O2 Ho2 107.9(2) . . ?
Ho4 O2 H2 112.2 . . ?
Ho1 O3 Ho4 103.5(2) . . ?
Ho1 O3 H3 112.4 . . ?
Ho3 O3 Ho1 109.7(2) . . ?
Ho3 O3 Ho4 105.8(2) . . ?
Ho3 O3 H3 112.4 . . ?
Ho4 O3 H3 112.4 . . ?
Ho2 O4 Ho3 103.11(19) . . ?
Ho2 O4 H4 111.6 . . ?
Ho3 O4 H4 111.6 . . ?
Ho4 O4 Ho2 109.8(2) . . ?
Ho4 O4 Ho3 108.9(2) . . ?
Ho4 O4 H4 111.6 . . ?
C1A O1A Ho2 126.5(6) . 2_556 ?
C1A O2A Ho1 124.3(6) . 2_556 ?
O1A C1A C2A 118.0(9) . . ?
O2A C1A O1A 125.9(9) . . ?
O2A C1A C2A 116.1(8) . . ?
C3A C2A C1A 122.3(9) . . ?
C3A C2A C5A 120.4(9) . . ?
C5A C2A C1A 117.3(9) . . ?
C2A C3A H3A 121.2 . . ?
C2A C3A C4A 117.5(9) . . ?
C4A C3A H3A 121.2 . . ?
C3A C4A H4A 118.0 . . ?
N1A C4A C3A 124.0(10) . . ?
N1A C4A H4A 118.0 . . ?
C2A C5A H5A 120.7 . . ?
C2A C5A C6A 118.6(10) . . ?
C6A C5A H5A 120.7 . . ?
C5A C6A H6A 118.8 . . ?
N1A C6A C5A 122.4(9) . . ?
N1A C6A H6A 118.8 . . ?
C4A N1A Ho1 125.8(7) . . ?
C4A N1A C6A 116.9(8) . . ?
C6A N1A Ho1 117.3(6) . . ?
C1B O1B Ho1 129.2(6) . . ?
C1B O2B Ho4 131.6(6) . . ?
O1B C1B C2B 115.9(9) . . ?
O2B C1B O1B 123.3(9) . . ?
O2B C1B C2B 120.8(9) . . ?
C3B C2B C1B 121.2(9) . . ?
C3B C2B C5B 119.0(9) . . ?
C5B C2B C1B 119.7(8) . . ?
C2B C3B H3B 120.6 . . ?
C2B C3B C4B 118.7(9) . . ?
C4B C3B H3B 120.6 . . ?
C3B C4B H4B 118.4 . . ?
N1B C4B C3B 123.2(9) . . ?
N1B C4B H4B 118.4 . . ?
C2B C5B H5B 121.7 . . ?
C6B C5B C2B 116.6(9) . . ?
C6B C5B H5B 121.7 . . ?
C5B C6B H6B 117.4 . . ?
N1B C6B C5B 125.1(9) . . ?
N1B C6B H6B 117.4 . . ?
C4B N1B Ho2 120.6(6) . 1_565 ?
C6B N1B Ho2 122.0(6) . 1_565 ?
C6B N1B C4B 116.9(8) . . ?
C1C O1C Ho2 127.3(6) . . ?
C1C O2C Ho3 139.8(6) . . ?
O1C C1C O2C 125.5(8) . . ?
O1C C1C C2C 116.6(8) . . ?
O2C C1C C2C 117.9(8) . . ?
C3C C2C C1C 120.8(8) . . ?
C3C C2C C5C 118.3(9) . . ?
C5C C2C C1C 120.8(9) . . ?
C2C C3C H3C 120.8 . . ?
C2C C3C C4C 118.3(9) . . ?
C4C C3C H3C 120.8 . . ?
C3C C4C H4C 117.8 . . ?
N1C C4C C3C 124.3(10) . . ?
N1C C4C H4C 117.8 . . ?
C2C C5C H5C 120.4 . . ?
C6C C5C C2C 119.3(9) . . ?
C6C C5C H5C 120.4 . . ?
C5C C6C H6C 118.4 . . ?
N1C C6C C5C 123.1(9) . . ?
N1C C6C H6C 118.4 . . ?
C4C N1C C6C 116.5(9) . . ?
C1D O1D Ho3 136.4(5) . . ?
C1D O2D Ho4 131.9(6) . . ?
C4D N1D C6D 117.5(8) . . ?
O1D C1D C2D 117.1(7) . . ?
O2D C1D O1D 125.8(8) . . ?
O2D C1D C2D 117.1(8) . . ?
C3D C2D C1D 119.5(8) . . ?
C5D C2D C1D 122.1(7) . . ?
C5D C2D C3D 118.4(8) . . ?
C2D C3D H3D 120.8 . . ?
C4D C3D C2D 118.5(8) . . ?
C4D C3D H3D 120.8 . . ?
N1D C4D C3D 123.5(8) . . ?
N1D C4D H4D 118.3 . . ?
C3D C4D H4D 118.3 . . ?
C2D C5D H5D 120.4 . . ?
C6D C5D C2D 119.2(8) . . ?
C6D C5D H5D 120.4 . . ?
N1D C6D C5D 123.0(9) . . ?
N1D C6D H6D 118.5 . . ?
C5D C6D H6D 118.5 . . ?

_refine_diff_density_max         3.445
_refine_diff_density_min         -2.329
_refine_diff_density_rms         0.276



####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit74sm
_database_code_depnum_ccdc_archive 'CCDC 1904280'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H44 N10 O24 Re6 S8 Sm4'
_chemical_formula_weight         2903.83

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'
Sm Sm -0.1638 3.4418 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.7540(4)
_cell_length_b                   12.52642(19)
_cell_length_c                   23.7189(4)
_cell_angle_alpha                90
_cell_angle_beta                 111.036(2)
_cell_angle_gamma                90
_cell_volume                     6310.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    40466
_cell_measurement_theta_min      3.61
_cell_measurement_theta_max      28.58

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.057
_exptl_crystal_F_000             5248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    15.455
_shelx_estimated_absorpt_T_min   0.103
_shelx_estimated_absorpt_T_max   0.371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.19092
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            80812
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.242
_diffrn_reflns_theta_max         28.723
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.925
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.925
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             15113
_reflns_number_gt                14180
_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.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0322P)²+52.0350P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15113
_refine_ls_number_parameters     803
_refine_ls_number_restraints     220
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0277
_refine_ls_wR_factor_ref         0.0707
_refine_ls_wR_factor_gt          0.0695
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.003
_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
Re1 Re 0.30903(2) 1.09281(2) 0.57261(2) 0.01213(5) Uani 1 1 d . . . . .
Re2 Re 0.33043(2) 1.29595(2) 0.58851(2) 0.01249(5) Uani 1 1 d . . . . .
Re3 Re 0.23095(2) 1.33692(2) 0.49410(2) 0.01323(5) Uani 1 1 d . . . . .
Re4 Re 0.20983(2) 1.13275(2) 0.47801(2) 0.01307(5) Uani 1 1 d . . . . .
Re5 Re 0.31854(2) 1.21055(2) 0.48546(2) 0.01312(5) Uani 1 1 d . . . . .
Re6 Re 0.22172(2) 1.21960(2) 0.58108(2) 0.01221(5) Uani 1 1 d . . . . .
S1 S 0.40650(7) 1.17328(12) 0.57651(6) 0.0170(3) Uani 1 1 d . . . . .
S2 S 0.33420(7) 1.39905(12) 0.50455(7) 0.0184(3) Uani 1 1 d . . . . .
S3 S 0.22274(7) 1.24685(12) 0.40172(6) 0.0189(3) Uani 1 1 d . . . . .
S4 S 0.29523(7) 1.02219(12) 0.47412(6) 0.0182(3) Uani 1 1 d . . . . .
S5 S 0.31743(7) 1.18290(12) 0.66487(6) 0.0167(3) Uani 1 1 d . . . . .
S6 S 0.24617(7) 1.40710(12) 0.59290(6) 0.0177(3) Uani 1 1 d . . . . .
S7 S 0.13385(7) 1.25540(12) 0.49007(6) 0.0183(3) Uani 1 1 d . . . . .
S8 S 0.20523(7) 1.03130(12) 0.56254(6) 0.0166(3) Uani 1 1 d . . . . .
C1 C 0.3531(3) 0.9555(5) 0.6218(3) 0.0190(12) Uani 1 1 d . . . . .
N1 N 0.3760(2) 0.8842(4) 0.6524(2) 0.0225(11) Uani 1 1 d . . . . .
C2 C 0.3996(3) 1.3858(5) 0.6529(3) 0.0206(12) Uani 1 1 d . . . . .
N2 N 0.4373(3) 1.4330(4) 0.6901(2) 0.0239(11) Uani 1 1 d . . . . .
C3 C 0.1850(3) 1.4787(5) 0.4504(3) 0.0214(12) Uani 1 1 d . . . . .
N3 N 0.1589(2) 1.5535(4) 0.4264(2) 0.0234(11) Uani 1 1 d . . . . .
C4 C 0.1402(3) 1.0389(5) 0.4147(3) 0.0211(12) Uani 1 1 d . . . . .
N4 N 0.1007(3) 0.9918(5) 0.3786(2) 0.0274(12) Uani 1 1 d . . . . .
C5 C 0.3764(3) 1.2132(5) 0.4318(3) 0.0233(13) Uani 1 1 d . . . . .
N5 N 0.4072(3) 1.2191(5) 0.4033(3) 0.0321(14) Uani 1 1 d . . . . .
C6 C 0.1658(3) 1.2291(5) 0.6357(3) 0.0200(12) Uani 1 1 d . . . . .
N6 N 0.1371(3) 1.2359(5) 0.6667(2) 0.0259(12) Uani 1 1 d . . . . .
Sm1 Sm 0.40443(2) 0.76725(3) 0.74642(2) 0.01669(6) Uani 1 1 d . . . . .
Sm2 Sm 0.51210(2) 0.53458(2) 0.77882(2) 0.01378(6) Uani 1 1 d . . . . .
Sm3 Sm 0.53749(2) 0.75699(3) 0.67553(2) 0.01751(6) Uani 1 1 d . . . . .
Sm4 Sm 0.58671(2) 0.81132(3) 0.84379(2) 0.01903(7) Uani 1 1 d D . . . .
O1 O 0.45945(18) 0.6592(3) 0.69831(18) 0.0167(8) Uani 1 1 d . . . . .
H1 H 0.429847 0.622081 0.661854 0.020 Uiso 1 1 calc R U . . .
O2 O 0.49500(18) 0.6964(3) 0.82696(17) 0.0156(8) Uani 1 1 d . . . . .
H2 H 0.486423 0.682072 0.864774 0.019 Uiso 1 1 calc R U . . .
O3 O 0.5044(2) 0.8478(3) 0.74682(19) 0.0197(9) Uani 1 1 d . . . . .
H3 H 0.499632 0.926115 0.738326 0.024 Uiso 1 1 calc R U . . .
O4 O 0.58287(18) 0.6726(3) 0.77490(18) 0.0168(8) Uani 1 1 d . . . . .
H4 H 0.625821 0.643561 0.781751 0.020 Uiso 1 1 calc R U . . .
O1M O 0.3234(3) 0.6646(5) 0.6573(3) 0.0581(18) Uani 1 1 d . U . . .
O2M O 0.5252(4) 0.3370(6) 0.8040(4) 0.080(2) Uani 1 1 d . U . . .
O3M O 0.4531(3) 0.7348(6) 0.5777(3) 0.0578(18) Uani 1 1 d . . . . .
O4M O 0.5185(3) 0.9445(5) 0.6398(3) 0.0479(15) Uani 1 1 d . . . . .
O5M O 0.6918(4) 0.7202(8) 0.8877(5) 0.025(2) Uani 0.556(18) 1 d . U P A 1
O5M' O 0.6957(6) 0.7637(13) 0.8655(7) 0.031(3) Uani 0.444(18) 1 d . U P A 2
O6M O 0.6036(3) 0.7285(4) 0.9416(2) 0.0355(12) Uani 1 1 d . . . . .
O1A O 0.1135(3) 1.0699(5) 0.7394(3) 0.0440(14) Uani 1 1 d . . . . .
O2A O 0.0591(3) 0.9575(5) 0.6705(3) 0.0538(16) Uani 1 1 d . . . . .
C1A C 0.1098(4) 0.9964(7) 0.7049(4) 0.0377(17) Uani 1 1 d . . . . .
C2A C 0.1715(4) 0.9452(6) 0.7072(3) 0.0335(16) Uani 1 1 d . . . . .
C3A C 0.2268(4) 1.0020(6) 0.7290(3) 0.0377(18) Uani 1 1 d . . . . .
H3A H 0.226611 1.074010 0.741495 0.045 Uiso 1 1 calc R U . . .
C4A C 0.2832(4) 0.9530(6) 0.7328(3) 0.0334(16) Uani 1 1 d . . . . .
H4A H 0.320583 0.994711 0.745915 0.040 Uiso 1 1 calc R U . . .
C5A C 0.1745(4) 0.8427(7) 0.6899(4) 0.046(2) Uani 1 1 d . . . . .
H5A H 0.137073 0.801992 0.672671 0.056 Uiso 1 1 calc R U . . .
C6A C 0.2335(4) 0.7971(7) 0.6976(5) 0.046(2) Uani 1 1 d . . . . .
H6A H 0.235006 0.724246 0.687043 0.055 Uiso 1 1 calc R U . . .
N1A N 0.2875(3) 0.8520(5) 0.7192(3) 0.0288(13) Uani 1 1 d . . . . .
O1B O 0.4216(2) 0.9251(4) 0.8067(2) 0.0297(11) Uani 1 1 d . . . . .
O2B O 0.5221(2) 0.9371(5) 0.8676(3) 0.0426(14) Uani 1 1 d . . . . .
C1B C 0.4647(3) 0.9583(6) 0.8520(3) 0.0293(14) Uani 1 1 d . U . . .
C2B C 0.4470(4) 1.0310(7) 0.8940(4) 0.0388(16) Uani 1 1 d . U . . .
C3B C 0.3853(4) 1.0390(7) 0.8910(4) 0.0370(16) Uani 1 1 d . U . . .
H3B H 0.352578 1.001045 0.861184 0.044 Uiso 1 1 calc R U . . .
C4B C 0.3722(4) 1.1036(7) 0.9325(4) 0.0434(18) Uani 1 1 d . U . . .
H4B H 0.329817 1.109396 0.930331 0.052 Uiso 1 1 calc R U . . .
C5B C 0.4936(4) 1.0862(9) 0.9386(5) 0.064(2) Uani 1 1 d . U . . .
H5B H 0.536411 1.081103 0.941945 0.077 Uiso 1 1 calc R U . . .
C6B C 0.4766(5) 1.1487(10) 0.9782(5) 0.071(3) Uani 1 1 d . U . . .
H6B H 0.508407 1.186986 1.008755 0.085 Uiso 1 1 calc R U . . .
N1B N 0.4160(4) 1.1572(7) 0.9749(4) 0.0563(19) Uani 1 1 d . U . . .
O1C O 0.5732(3) 0.4605(4) 0.7266(3) 0.0390(13) Uani 1 1 d . . . . .
O2C O 0.5670(3) 0.5818(5) 0.6554(3) 0.0460(14) Uani 1 1 d . . . . .
C1C C 0.5826(5) 0.4932(7) 0.6812(5) 0.053(2) Uani 1 1 d . U . . .
C2C C 0.6206(6) 0.4185(9) 0.6574(6) 0.071(2) Uani 1 1 d . U . . .
C3C C 0.6310(7) 0.3156(10) 0.6765(7) 0.090(3) Uani 1 1 d . U . . .
H3C H 0.611299 0.286424 0.702210 0.108 Uiso 1 1 calc R U . . .
C4C C 0.6714(8) 0.2539(12) 0.6574(8) 0.101(3) Uani 1 1 d . U . . .
H4C H 0.677693 0.181336 0.669772 0.122 Uiso 1 1 calc R U . . .
C5C C 0.6497(6) 0.4586(10) 0.6187(6) 0.080(3) Uani 1 1 d . U . . .
H5C H 0.642636 0.530285 0.604733 0.096 Uiso 1 1 calc R U . . .
C6C C 0.6891(7) 0.3923(11) 0.6009(7) 0.093(3) Uani 1 1 d . U . . .
H6C H 0.707107 0.418413 0.573138 0.112 Uiso 1 1 calc R U . . .
N1C N 0.7022(6) 0.2924(10) 0.6221(6) 0.099(3) Uani 1 1 d . U . . .
O1D O 0.6357(2) 0.8370(4) 0.7259(2) 0.0348(12) Uani 1 1 d D . . . .
O2D O 0.6406(7) 0.9435(10) 0.8036(5) 0.040(3) Uani 0.556(18) 1 d D U P A 1
O2D' O 0.6259(8) 0.9538(11) 0.7920(7) 0.038(3) Uani 0.444(18) 1 d D U P A 2
C1D C 0.6541(3) 0.9190(5) 0.7582(3) 0.0293(14) Uani 1 1 d D U . . .
C2D C 0.7036(3) 0.9849(5) 0.7468(3) 0.0255(13) Uani 1 1 d . U . . .
C3D C 0.7260(3) 0.9561(6) 0.7015(3) 0.0299(14) Uani 1 1 d . U . . .
H3D H 0.709797 0.895047 0.677170 0.036 Uiso 1 1 calc R U . . .
C4D C 0.7718(4) 1.0170(7) 0.6926(4) 0.0387(16) Uani 1 1 d . U . . .
H4D H 0.786826 0.996493 0.661605 0.046 Uiso 1 1 calc R U . . .
C5D C 0.7290(4) 1.0727(7) 0.7815(4) 0.0474(19) Uani 1 1 d . U . . .
H5D H 0.715519 1.093702 0.813402 0.057 Uiso 1 1 calc R U . . .
C6D C 0.7748(5) 1.1299(8) 0.7689(5) 0.063(2) Uani 1 1 d . U . . .
H6D H 0.791997 1.191182 0.792684 0.075 Uiso 1 1 calc R U . . .
N1D N 0.7963(4) 1.1036(6) 0.7251(4) 0.0562(19) Uani 1 1 d . U . . .
O1W O 0.4852(3) 1.0763(5) 0.7197(3) 0.0591(18) Uani 1 1 d . . . . .
O2W O 0.5106(5) 0.5998(8) 0.9489(4) 0.062(2) Uani 0.75 1 d . U P . .
O3W O 0.5778(5) 0.1399(8) 0.8277(5) 0.071(3) Uani 0.75 1 d . . P . .
O4W O 0.0034(6) 0.8810(10) 0.5632(5) 0.066(3) Uani 0.625 1 d . . P . .
O5W O 0.3304(5) 0.6554(10) 0.5556(7) 0.074(4) Uani 0.625 1 d . . P . .
O6W O 0.7403(10) 0.7329(16) 1.0305(10) 0.066(5) Uani 0.417(13) 1 d . U P A 1
O7W O 0.7362(11) 0.7110(18) 0.9965(12) 0.058(5) Uani 0.333(13) 1 d . U P A 2
O8W O 0.4540(11) 0.951(2) 0.5126(10) 0.086(6) Uani 0.375 1 d . U P . .
O9W O 0.4761(10) 0.510(2) 0.5417(10) 0.078(6) Uani 0.375 1 d . U P . .
O10W O 0.4871(11) 0.594(2) 0.5159(11) 0.087(7) Uani 0.375 1 d . U P . .
O11W O 0.4909(11) 0.413(2) 0.5338(12) 0.092(7) Uani 0.375 1 d . U P . .


_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
Re1 Re2 2.5928(3) . yes
Re1 Re4 2.5971(3) . yes
Re1 Re5 2.6109(3) . yes
Re1 Re6 2.6069(3) . yes
Re1 S1 2.4075(14) . yes
Re1 S4 2.4109(14) . yes
Re1 S5 2.4079(14) . yes
Re1 S8 2.4134(14) . yes
Re1 C1 2.117(6) . yes
Re2 Re3 2.6005(3) . yes
Re2 Re5 2.5919(3) . yes
Re2 Re6 2.5982(3) . yes
Re2 S1 2.4067(14) . yes
Re2 S2 2.4009(14) . yes
Re2 S5 2.3994(14) . yes
Re2 S6 2.4015(14) . yes
Re2 C2 2.085(6) . yes
Re3 Re4 2.6051(3) . yes
Re3 Re5 2.6102(3) . yes
Re3 Re6 2.6021(3) . yes
Re3 S2 2.4018(15) . yes
Re3 S3 2.4114(14) . yes
Re3 S6 2.4085(14) . yes
Re3 S7 2.4045(15) . yes
Re3 C3 2.132(6) . yes
Re4 Re5 2.6050(3) . yes
Re4 Re6 2.5998(3) . yes
Re4 S3 2.4052(14) . yes
Re4 S4 2.4149(15) . yes
Re4 S7 2.4054(15) . yes
Re4 S8 2.4077(14) . yes
Re4 C4 2.108(6) . yes
Re5 S1 2.4051(14) . yes
Re5 S2 2.4066(15) . yes
Re5 S3 2.4073(14) . yes
Re5 S4 2.4121(15) . yes
Re5 C5 2.134(6) . yes
Re6 S5 2.4076(14) . yes
Re6 S6 2.4068(15) . yes
Re6 S7 2.4000(14) . yes
Re6 S8 2.4040(15) . yes
Re6 C6 2.119(6) . yes
C1 N1 1.150(8) . ?
N1 Sm1 2.551(5) . yes
C2 N2 1.150(8) . ?
N2 Sm2 2.524(5) 1_565 yes
C3 N3 1.146(8) . ?
N3 Sm4 2.663(5) 4_585 yes
C4 N4 1.155(8) . ?
N4 Sm2 2.520(5) 4_575 yes
C5 N5 1.138(8) . ?
N5 Sm3 2.618(5) 3_676 yes
C6 N6 1.149(8) . ?
N6 Sm1 2.587(5) 2_556 yes
Sm1 Sm2 3.7062(4) . ?
Sm1 Sm3 3.9581(4) . ?
Sm1 Sm4 3.9955(4) . ?
Sm1 O1 2.393(4) . yes
Sm1 O2 2.421(4) . yes
Sm1 O3 2.484(4) . yes
Sm1 O1M 2.594(6) . yes
Sm1 O1A 2.547(6) 2_546 yes
Sm1 N1A 2.718(5) . yes
Sm1 O1B 2.389(5) . yes
Sm2 Sm3 3.8877(4) . ?
Sm2 O1 2.424(4) . yes
Sm2 O2 2.425(4) . yes
Sm2 O4 2.387(4) . yes
Sm2 O2M 2.538(7) . yes
Sm2 O1A 2.767(6) 2_546 yes
Sm2 O2A 2.530(6) 2_546 yes
Sm2 C1A 2.973(8) 2_546 ?
Sm2 O1C 2.359(5) . yes
Sm3 Sm4 3.7995(4) . ?
Sm3 O1 2.373(4) . yes
Sm3 O3 2.374(4) . yes
Sm3 O4 2.448(4) . yes
Sm3 O3M 2.439(6) . yes
Sm3 O4M 2.482(6) . yes
Sm3 O2C 2.392(6) . yes
Sm3 O1D 2.348(5) . yes
Sm4 O2 2.447(4) . yes
Sm4 O3 2.432(4) . yes
Sm4 O4 2.365(4) . yes
Sm4 O5M 2.515(10) . yes
Sm4 O5M' 2.421(12) . yes
Sm4 O6M 2.443(5) . yes
Sm4 O2B 2.358(5) . yes
Sm4 O2D 2.449(10) . yes
Sm4 O2D' 2.505(12) . yes
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.215(10) . ?
O2A C1A 1.249(10) . ?
C1A C2A 1.528(11) . ?
C2A C3A 1.373(12) . ?
C2A C5A 1.357(12) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.397(10) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.317(10) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.409(10) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.340(10) . ?
O1B C1B 1.238(8) . ?
O2B C1B 1.252(8) . ?
C1B C2B 1.508(9) . ?
C2B C3B 1.383(10) . ?
C2B C5B 1.386(12) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.387(10) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.317(11) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.379(12) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.358(12) . ?
O1C C1C 1.241(11) . ?
O2C C1C 1.255(11) . ?
C1C C2C 1.513(12) . ?
C2C C3C 1.359(16) . ?
C2C C5C 1.404(15) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.394(17) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.358(17) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.394(15) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.342(16) . ?
O1D C1D 1.258(6) . ?
O2D C1D 1.258(8) . ?
O2D' C1D 1.270(8) . ?
C1D C2D 1.497(9) . ?
C2D C3D 1.393(9) . ?
C2D C5D 1.371(10) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.367(10) . ?
C4D H4D 0.9500 . ?
C4D N1D 1.332(10) . ?
C5D H5D 0.9500 . ?
C5D C6D 1.383(11) . ?
C6D H6D 0.9500 . ?
C6D N1D 1.339(11) . ?
O10W O11W 1.44(3) 3_666 ?

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
Re2 Re1 Re4 89.781(9) . . ?
Re2 Re1 Re5 59.746(8) . . ?
Re2 Re1 Re6 59.956(8) . . ?
Re4 Re1 Re5 60.025(8) . . ?
Re4 Re1 Re6 59.942(8) . . ?
Re6 Re1 Re5 89.933(9) . . ?
S1 Re1 Re2 57.40(4) . . ?
S1 Re1 Re4 117.10(3) . . ?
S1 Re1 Re5 57.10(3) . . ?
S1 Re1 Re6 117.32(4) . . ?
S1 Re1 S4 89.35(5) . . ?
S1 Re1 S5 89.85(5) . . ?
S1 Re1 S8 173.13(5) . . ?
S4 Re1 Re2 116.96(4) . . ?
S4 Re1 Re4 57.52(4) . . ?
S4 Re1 Re5 57.25(4) . . ?
S4 Re1 Re6 117.41(4) . . ?
S4 Re1 S8 90.26(5) . . ?
S5 Re1 Re2 57.20(4) . . ?
S5 Re1 Re4 117.11(4) . . ?
S5 Re1 Re5 116.92(4) . . ?
S5 Re1 Re6 57.22(3) . . ?
S5 Re1 S4 173.13(5) . . ?
S5 Re1 S8 89.72(5) . . ?
S8 Re1 Re2 116.98(4) . . ?
S8 Re1 Re4 57.30(3) . . ?
S8 Re1 Re5 117.28(3) . . ?
S8 Re1 Re6 57.06(4) . . ?
C1 Re1 Re2 133.63(17) . . ?
C1 Re1 Re4 136.48(17) . . ?
C1 Re1 Re5 137.55(16) . . ?
C1 Re1 Re6 132.47(16) . . ?
C1 Re1 S1 94.12(17) . . ?
C1 Re1 S4 96.16(16) . . ?
C1 Re1 S5 90.71(16) . . ?
C1 Re1 S8 92.74(17) . . ?
Re1 Re2 Re3 90.488(9) . . ?
Re1 Re2 Re6 60.292(8) . . ?
Re5 Re2 Re1 60.474(8) . . ?
Re5 Re2 Re3 60.357(8) . . ?
Re5 Re2 Re6 90.547(9) . . ?
Re6 Re2 Re3 60.071(8) . . ?
S1 Re2 Re1 57.43(4) . . ?
S1 Re2 Re3 117.70(3) . . ?
S1 Re2 Re5 57.38(3) . . ?
S1 Re2 Re6 117.68(4) . . ?
S2 Re2 Re1 117.91(4) . . ?
S2 Re2 Re3 57.23(4) . . ?
S2 Re2 Re5 57.48(4) . . ?
S2 Re2 Re6 117.28(4) . . ?
S2 Re2 S1 90.22(5) . . ?
S2 Re2 S6 89.47(5) . . ?
S5 Re2 Re1 57.52(4) . . ?
S5 Re2 Re3 117.48(4) . . ?
S5 Re2 Re5 117.96(4) . . ?
S5 Re2 Re6 57.43(3) . . ?
S5 Re2 S1 90.07(5) . . ?
S5 Re2 S2 173.91(5) . . ?
S5 Re2 S6 89.60(5) . . ?
S6 Re2 Re1 117.66(4) . . ?
S6 Re2 Re3 57.40(3) . . ?
S6 Re2 Re5 117.74(4) . . ?
S6 Re2 Re6 57.39(4) . . ?
S6 Re2 S1 173.97(5) . . ?
C2 Re2 Re1 133.58(17) . . ?
C2 Re2 Re3 135.93(17) . . ?
C2 Re2 Re5 135.16(17) . . ?
C2 Re2 Re6 134.27(17) . . ?
C2 Re2 S1 92.62(17) . . ?
C2 Re2 S2 94.27(17) . . ?
C2 Re2 S5 91.79(17) . . ?
C2 Re2 S6 93.41(17) . . ?
Re2 Re3 Re4 89.438(9) . . ?
Re2 Re3 Re5 59.658(8) . . ?
Re2 Re3 Re6 59.920(8) . . ?
Re4 Re3 Re5 59.934(8) . . ?
Re6 Re3 Re4 59.903(8) . . ?
Re6 Re3 Re5 90.054(9) . . ?
S2 Re3 Re2 57.20(4) . . ?
S2 Re3 Re4 117.09(4) . . ?
S2 Re3 Re5 57.21(4) . . ?
S2 Re3 Re6 117.10(4) . . ?
S2 Re3 S3 89.96(5) . . ?
S2 Re3 S6 89.29(5) . . ?
S2 Re3 S7 172.98(5) . . ?
S3 Re3 Re2 116.73(4) . . ?
S3 Re3 Re4 57.14(4) . . ?
S3 Re3 Re5 57.13(4) . . ?
S3 Re3 Re6 117.01(4) . . ?
S6 Re3 Re2 57.14(4) . . ?
S6 Re3 Re4 117.09(4) . . ?
S6 Re3 Re5 116.78(4) . . ?
S6 Re3 Re6 57.26(4) . . ?
S6 Re3 S3 172.73(5) . . ?
S7 Re3 Re2 116.98(3) . . ?
S7 Re3 Re4 57.22(4) . . ?
S7 Re3 Re5 117.12(4) . . ?
S7 Re3 Re6 57.13(3) . . ?
S7 Re3 S3 89.70(5) . . ?
S7 Re3 S6 90.17(5) . . ?
C3 Re3 Re2 134.95(17) . . ?
C3 Re3 Re4 135.58(17) . . ?
C3 Re3 Re5 136.18(16) . . ?
C3 Re3 Re6 133.76(16) . . ?
C3 Re3 S2 94.04(17) . . ?
C3 Re3 S3 94.76(17) . . ?
C3 Re3 S6 92.51(17) . . ?
C3 Re3 S7 92.97(17) . . ?
Re1 Re4 Re3 90.292(9) . . ?
Re1 Re4 Re5 60.250(8) . . ?
Re1 Re4 Re6 60.217(8) . . ?
Re5 Re4 Re3 60.131(8) . . ?
Re6 Re4 Re3 59.993(8) . . ?
Re6 Re4 Re5 90.220(9) . . ?
S3 Re4 Re1 117.48(4) . . ?
S3 Re4 Re3 57.37(4) . . ?
S3 Re4 Re5 57.27(4) . . ?
S3 Re4 Re6 117.33(4) . . ?
S3 Re4 S4 89.70(5) . . ?
S3 Re4 S7 89.82(5) . . ?
S3 Re4 S8 173.58(5) . . ?
S4 Re4 Re1 57.37(3) . . ?
S4 Re4 Re3 117.38(4) . . ?
S4 Re4 Re5 57.29(4) . . ?
S4 Re4 Re6 117.54(3) . . ?
S7 Re4 Re1 117.33(4) . . ?
S7 Re4 Re3 57.19(4) . . ?
S7 Re4 Re5 117.29(4) . . ?
S7 Re4 Re6 57.15(3) . . ?
S7 Re4 S4 173.42(5) . . ?
S7 Re4 S8 89.44(5) . . ?
S8 Re4 Re1 57.51(3) . . ?
S8 Re4 Re3 117.20(4) . . ?
S8 Re4 Re5 117.71(4) . . ?
S8 Re4 Re6 57.23(3) . . ?
S8 Re4 S4 90.30(5) . . ?
C4 Re4 Re1 134.95(17) . . ?
C4 Re4 Re3 134.76(17) . . ?
C4 Re4 Re5 135.24(17) . . ?
C4 Re4 Re6 134.54(17) . . ?
C4 Re4 S3 93.39(17) . . ?
C4 Re4 S4 93.59(18) . . ?
C4 Re4 S7 93.00(18) . . ?
C4 Re4 S8 93.02(17) . . ?
Re2 Re5 Re1 59.780(8) . . ?
Re2 Re5 Re3 59.985(8) . . ?
Re2 Re5 Re4 89.626(9) . . ?
Re3 Re5 Re1 89.874(9) . . ?
Re4 Re5 Re1 59.724(8) . . ?
Re4 Re5 Re3 59.935(8) . . ?
S1 Re5 Re1 57.19(3) . . ?
S1 Re5 Re2 57.44(3) . . ?
S1 Re5 Re3 117.38(4) . . ?
S1 Re5 Re4 116.88(4) . . ?
S1 Re5 S2 90.13(5) . . ?
S1 Re5 S3 173.08(5) . . ?
S1 Re5 S4 89.37(5) . . ?
S2 Re5 Re1 117.00(4) . . ?
S2 Re5 Re2 57.27(3) . . ?
S2 Re5 Re3 57.03(4) . . ?
S2 Re5 Re4 116.92(4) . . ?
S2 Re5 S3 89.94(5) . . ?
S2 Re5 S4 172.98(5) . . ?
S3 Re5 Re1 116.88(4) . . ?
S3 Re5 Re2 117.20(4) . . ?
S3 Re5 Re3 57.28(4) . . ?
S3 Re5 Re4 57.19(4) . . ?
S3 Re5 S4 89.72(5) . . ?
S4 Re5 Re1 57.20(3) . . ?
S4 Re5 Re2 116.95(3) . . ?
S4 Re5 Re3 117.29(4) . . ?
S4 Re5 Re4 57.39(4) . . ?
C5 Re5 Re1 136.47(18) . . ?
C5 Re5 Re2 132.69(17) . . ?
C5 Re5 Re3 133.55(18) . . ?
C5 Re5 Re4 137.65(17) . . ?
C5 Re5 S1 92.64(18) . . ?
C5 Re5 S2 90.89(18) . . ?
C5 Re5 S3 94.28(18) . . ?
C5 Re5 S4 96.13(18) . . ?
Re2 Re6 Re1 59.751(8) . . ?
Re2 Re6 Re3 60.009(8) . . ?
Re2 Re6 Re4 89.604(9) . . ?
Re3 Re6 Re1 90.139(9) . . ?
Re4 Re6 Re1 59.841(8) . . ?
Re4 Re6 Re3 60.104(8) . . ?
S5 Re6 Re1 57.23(3) . . ?
S5 Re6 Re2 57.13(3) . . ?
S5 Re6 Re3 117.12(3) . . ?
S5 Re6 Re4 117.02(3) . . ?
S6 Re6 Re1 116.92(4) . . ?
S6 Re6 Re2 57.20(3) . . ?
S6 Re6 Re3 57.32(3) . . ?
S6 Re6 Re4 117.36(3) . . ?
S6 Re6 S5 89.28(5) . . ?
S7 Re6 Re1 117.16(4) . . ?
S7 Re6 Re2 117.24(4) . . ?
S7 Re6 Re3 57.29(4) . . ?
S7 Re6 Re4 57.35(4) . . ?
S7 Re6 S5 173.12(5) . . ?
S7 Re6 S6 90.32(5) . . ?
S7 Re6 S8 89.65(5) . . ?
S8 Re6 Re1 57.41(3) . . ?
S8 Re6 Re2 117.12(4) . . ?
S8 Re6 Re3 117.44(3) . . ?
S8 Re6 Re4 57.36(3) . . ?
S8 Re6 S5 89.95(5) . . ?
S8 Re6 S6 173.30(5) . . ?
C6 Re6 Re1 136.27(17) . . ?
C6 Re6 Re2 134.70(17) . . ?
C6 Re6 Re3 133.59(17) . . ?
C6 Re6 Re4 135.68(17) . . ?
C6 Re6 S5 94.01(17) . . ?
C6 Re6 S6 92.19(18) . . ?
C6 Re6 S7 92.87(17) . . ?
C6 Re6 S8 94.50(18) . . ?
Re2 S1 Re1 65.17(4) . . ?
Re5 S1 Re1 65.71(4) . . ?
Re5 S1 Re2 65.18(4) . . ?
Re2 S2 Re3 65.57(4) . . ?
Re2 S2 Re5 65.25(4) . . ?
Re3 S2 Re5 65.76(4) . . ?
Re4 S3 Re3 65.48(4) . . ?
Re4 S3 Re5 65.55(4) . . ?
Re5 S3 Re3 65.60(4) . . ?
Re1 S4 Re4 65.12(4) . . ?
Re1 S4 Re5 65.55(4) . . ?
Re5 S4 Re4 65.32(4) . . ?
Re2 S5 Re1 65.28(3) . . ?
Re2 S5 Re6 65.44(4) . . ?
Re6 S5 Re1 65.55(4) . . ?
Re2 S6 Re3 65.45(4) . . ?
Re2 S6 Re6 65.42(4) . . ?
Re6 S6 Re3 65.42(4) . . ?
Re3 S7 Re4 65.59(4) . . ?
Re6 S7 Re3 65.59(4) . . ?
Re6 S7 Re4 65.50(4) . . ?
Re4 S8 Re1 65.19(4) . . ?
Re6 S8 Re1 65.52(4) . . ?
Re6 S8 Re4 65.41(4) . . ?
N1 C1 Re1 174.6(5) . . ?
C1 N1 Sm1 155.8(5) . . ?
N2 C2 Re2 177.3(6) . . ?
C2 N2 Sm2 173.4(5) . 1_565 ?
N3 C3 Re3 178.2(5) . . ?
C3 N3 Sm4 163.3(5) . 4_585 ?
N4 C4 Re4 176.8(6) . . ?
C4 N4 Sm2 155.5(5) . 4_575 ?
N5 C5 Re5 177.2(6) . . ?
C5 N5 Sm3 171.2(6) . 3_676 ?
N6 C6 Re6 177.8(6) . . ?
C6 N6 Sm1 167.3(5) . 2_556 ?
N1 Sm1 N6 137.17(17) . 2_546 ?
N1 Sm1 Sm2 125.06(12) . . ?
N1 Sm1 Sm3 68.88(12) . . ?
N1 Sm1 Sm4 108.12(12) . . ?
N1 Sm1 O1M 71.9(2) . . ?
N1 Sm1 N1A 69.45(17) . . ?
N6 Sm1 Sm2 96.83(13) 2_546 . ?
N6 Sm1 Sm3 152.55(13) 2_546 . ?
N6 Sm1 Sm4 99.25(13) 2_546 . ?
N6 Sm1 O1M 102.6(2) 2_546 . ?
N6 Sm1 N1A 69.01(17) 2_546 . ?
Sm2 Sm1 Sm3 60.856(8) . . ?
Sm2 Sm1 Sm4 61.120(8) . . ?
Sm3 Sm1 Sm4 57.070(7) . . ?
O1 Sm1 N1 85.39(15) . . ?
O1 Sm1 N6 134.22(16) . 2_546 ?
O1 Sm1 Sm2 40.02(10) . . ?
O1 Sm1 Sm3 33.70(10) . . ?
O1 Sm1 Sm4 75.02(10) . . ?
O1 Sm1 O2 74.10(13) . . ?
O1 Sm1 O3 66.20(14) . . ?
O1 Sm1 O1M 70.83(18) . . ?
O1 Sm1 O1A 69.50(15) . 2_546 ?
O1 Sm1 N1A 137.97(16) . . ?
O2 Sm1 N1 141.06(15) . . ?
O2 Sm1 N6 76.50(15) . 2_546 ?
O2 Sm1 Sm2 40.15(9) . . ?
O2 Sm1 Sm3 76.05(9) . . ?
O2 Sm1 Sm4 35.05(10) . . ?
O2 Sm1 O3 68.10(14) . . ?
O2 Sm1 O1M 128.05(17) . . ?
O2 Sm1 O1A 70.80(17) . 2_546 ?
O2 Sm1 N1A 144.49(15) . . ?
O3 Sm1 N1 73.42(15) . . ?
O3 Sm1 N6 130.85(16) . 2_546 ?
O3 Sm1 Sm2 77.43(10) . . ?
O3 Sm1 Sm3 34.52(9) . . ?
O3 Sm1 Sm4 35.21(10) . . ?
O3 Sm1 O1M 125.9(2) . . ?
O3 Sm1 O1A 125.65(17) . 2_546 ?
O3 Sm1 N1A 131.23(16) . . ?
O1M Sm1 Sm2 90.16(14) . . ?
O1M Sm1 Sm3 93.81(16) . . ?
O1M Sm1 Sm4 145.76(15) . . ?
O1M Sm1 N1A 69.6(2) . . ?
O1A Sm1 N1 132.09(18) 2_546 . ?
O1A Sm1 N6 68.07(18) 2_546 2_546 ?
O1A Sm1 Sm2 48.28(14) 2_546 . ?
O1A Sm1 Sm3 101.96(12) 2_546 . ?
O1A Sm1 Sm4 103.88(15) 2_546 . ?
O1A Sm1 O1M 61.7(2) 2_546 . ?
O1A Sm1 N1A 102.8(2) 2_546 . ?
N1A Sm1 Sm2 150.94(14) . . ?
N1A Sm1 Sm3 138.14(12) . . ?
N1A Sm1 Sm4 143.87(14) . . ?
O1B Sm1 N1 89.07(18) . . ?
O1B Sm1 N6 71.12(18) . 2_546 ?
O1B Sm1 Sm2 124.97(12) . . ?
O1B Sm1 Sm3 107.21(11) . . ?
O1B Sm1 Sm4 68.11(11) . . ?
O1B Sm1 O1 138.81(15) . . ?
O1B Sm1 O2 85.49(15) . . ?
O1B Sm1 O3 73.10(15) . . ?
O1B Sm1 O1M 144.49(18) . . ?
O1B Sm1 O1A 136.39(17) . 2_546 ?
O1B Sm1 N1A 75.78(18) . . ?
N2 Sm2 Sm1 91.50(12) 1_545 . ?
N2 Sm2 Sm3 92.54(13) 1_545 . ?
N2 Sm2 O2M 72.0(2) 1_545 . ?
N2 Sm2 O1A 66.49(16) 1_545 2_546 ?
N2 Sm2 O2A 81.3(2) 1_545 2_546 ?
N2 Sm2 C1A 69.26(19) 1_545 2_546 ?
N4 Sm2 N2 142.11(19) 4_676 1_545 ?
N4 Sm2 Sm1 123.01(14) 4_676 . ?
N4 Sm2 Sm3 115.84(14) 4_676 . ?
N4 Sm2 O2M 70.4(2) 4_676 . ?
N4 Sm2 O1A 126.98(18) 4_676 2_546 ?
N4 Sm2 O2A 86.4(2) 4_676 2_546 ?
N4 Sm2 C1A 109.1(2) 4_676 2_546 ?
Sm1 Sm2 Sm3 62.775(8) . . ?
O1 Sm2 N2 70.96(16) . 1_545 ?
O1 Sm2 N4 145.77(17) . 4_676 ?
O1 Sm2 Sm1 39.40(9) . . ?
O1 Sm2 Sm3 35.44(9) . . ?
O1 Sm2 O2 73.45(13) . . ?
O1 Sm2 O2M 142.8(2) . . ?
O1 Sm2 O1A 65.38(15) . 2_546 ?
O1 Sm2 O2A 113.62(18) . 2_546 ?
O1 Sm2 C1A 89.17(19) . 2_546 ?
O2 Sm2 N2 129.78(15) . 1_545 ?
O2 Sm2 N4 82.95(17) . 4_676 ?
O2 Sm2 Sm1 40.06(9) . . ?
O2 Sm2 Sm3 77.48(9) . . ?
O2 Sm2 O2M 136.8(2) . . ?
O2 Sm2 O1A 66.99(14) . 2_546 ?
O2 Sm2 O2A 81.78(19) . 2_546 ?
O2 Sm2 C1A 76.03(18) . 2_546 ?
O4 Sm2 N2 126.51(16) . 1_545 ?
O4 Sm2 N4 78.92(17) . 4_676 ?
O4 Sm2 Sm1 80.05(10) . . ?
O4 Sm2 Sm3 37.01(10) . . ?
O4 Sm2 O1 69.65(14) . . ?
O4 Sm2 O2 68.75(13) . . ?
O4 Sm2 O2M 133.7(2) . . ?
O4 Sm2 O1A 123.45(16) . 2_546 ?
O4 Sm2 O2A 148.32(19) . 2_546 ?
O4 Sm2 C1A 142.69(18) . 2_546 ?
O2M Sm2 Sm1 146.0(2) . . ?
O2M Sm2 Sm3 144.6(2) . . ?
O2M Sm2 O1A 102.7(2) . 2_546 ?
O2M Sm2 C1A 81.3(3) . 2_546 ?
O1A Sm2 Sm1 43.40(12) 2_546 . ?
O1A Sm2 Sm3 99.53(12) 2_546 . ?
O1A Sm2 C1A 24.1(2) 2_546 2_546 ?
O2A Sm2 Sm1 84.86(16) 2_546 . ?
O2A Sm2 Sm3 146.98(15) 2_546 . ?
O2A Sm2 O2M 63.7(3) 2_546 . ?
O2A Sm2 O1A 48.26(19) 2_546 2_546 ?
O2A Sm2 C1A 24.6(2) 2_546 2_546 ?
C1A Sm2 Sm1 64.87(17) 2_546 . ?
C1A Sm2 Sm3 123.62(17) 2_546 . ?
O1C Sm2 N2 73.26(18) . 1_545 ?
O1C Sm2 N4 91.0(2) . 4_676 ?
O1C Sm2 Sm1 132.13(15) . . ?
O1C Sm2 Sm3 72.66(14) . . ?
O1C Sm2 O1 93.29(18) . . ?
O1C Sm2 O2 143.16(16) . . ?
O1C Sm2 O4 74.42(16) . . ?
O1C Sm2 O2M 72.4(3) . . ?
O1C Sm2 O1A 138.65(18) . 2_546 ?
O1C Sm2 O2A 134.3(2) . 2_546 ?
O1C Sm2 C1A 139.3(2) . 2_546 ?
N5 Sm3 Sm1 159.47(14) 3_676 . ?
N5 Sm3 Sm2 138.60(14) 3_676 . ?
N5 Sm3 Sm4 133.91(14) 3_676 . ?
Sm2 Sm3 Sm1 56.369(7) . . ?
Sm4 Sm3 Sm1 61.960(8) . . ?
Sm4 Sm3 Sm2 61.372(8) . . ?
O1 Sm3 N5 144.29(18) . 3_676 ?
O1 Sm3 Sm1 34.02(10) . . ?
O1 Sm3 Sm2 36.32(10) . . ?
O1 Sm3 Sm4 79.38(10) . . ?
O1 Sm3 O3 68.29(14) . . ?
O1 Sm3 O4 69.48(13) . . ?
O1 Sm3 O3M 76.09(19) . . ?
O1 Sm3 O4M 120.85(17) . . ?
O1 Sm3 O2C 81.89(18) . . ?
O3 Sm3 N5 144.16(18) . 3_676 ?
O3 Sm3 Sm1 36.38(10) . . ?
O3 Sm3 Sm2 74.77(10) . . ?
O3 Sm3 Sm4 38.30(10) . . ?
O3 Sm3 O4 69.69(14) . . ?
O3 Sm3 O3M 112.9(2) . . ?
O3 Sm3 O4M 74.25(16) . . ?
O3 Sm3 O2C 139.91(18) . . ?
O4 Sm3 N5 126.31(17) . 3_676 ?
O4 Sm3 Sm1 74.19(9) . . ?
O4 Sm3 Sm2 35.95(9) . . ?
O4 Sm3 Sm4 37.11(10) . . ?
O4 Sm3 O4M 134.34(18) . . ?
O3M Sm3 N5 75.5(2) . 3_676 ?
O3M Sm3 Sm1 86.93(16) . . ?
O3M Sm3 Sm2 105.85(17) . . ?
O3M Sm3 Sm4 148.65(16) . . ?
O3M Sm3 O4 141.5(2) . . ?
O3M Sm3 O4M 78.6(2) . . ?
O4M Sm3 N5 73.61(19) . 3_676 ?
O4M Sm3 Sm1 92.74(13) . . ?
O4M Sm3 Sm2 147.79(12) . . ?
O4M Sm3 Sm4 97.95(14) . . ?
O2C Sm3 N5 73.8(2) . 3_676 ?
O2C Sm3 Sm1 115.27(15) . . ?
O2C Sm3 Sm2 65.44(15) . . ?
O2C Sm3 Sm4 112.07(14) . . ?
O2C Sm3 O4 75.19(17) . . ?
O2C Sm3 O3M 83.5(2) . . ?
O2C Sm3 O4M 145.81(19) . . ?
O1D Sm3 N5 72.6(2) . 3_676 ?
O1D Sm3 Sm1 120.23(13) . . ?
O1D Sm3 Sm2 108.35(13) . . ?
O1D Sm3 Sm4 61.38(13) . . ?
O1D Sm3 O1 139.27(16) . . ?
O1D Sm3 O3 85.44(16) . . ?
O1D Sm3 O4 72.46(16) . . ?
O1D Sm3 O3M 144.5(2) . . ?
O1D Sm3 O4M 77.7(2) . . ?
O1D Sm3 O2C 102.1(2) . . ?
N3 Sm4 Sm2 156.36(13) 4_686 . ?
N3 Sm4 Sm3 139.32(12) 4_686 . ?
Sm3 Sm4 Sm2 60.421(8) . . ?
O2 Sm4 N3 139.31(15) . 4_686 ?
O2 Sm4 Sm2 36.17(9) . . ?
O2 Sm4 Sm3 79.09(9) . . ?
O2 Sm4 O5M 115.4(3) . . ?
O2 Sm4 O2D 148.4(4) . . ?
O2 Sm4 O2D' 140.5(4) . . ?
O3 Sm4 N3 129.71(16) . 4_686 ?
O3 Sm4 Sm2 73.53(10) . . ?
O3 Sm4 Sm3 37.23(9) . . ?
O3 Sm4 O2 68.52(14) . . ?
O3 Sm4 O5M 140.6(3) . . ?
O3 Sm4 O6M 141.57(16) . . ?
O3 Sm4 O2D 80.1(4) . . ?
O3 Sm4 O2D' 72.0(4) . . ?
O4 Sm4 N3 146.67(15) . 4_686 ?
O4 Sm4 Sm2 34.53(10) . . ?
O4 Sm4 Sm3 38.63(10) . . ?
O4 Sm4 O2 68.73(13) . . ?
O4 Sm4 O3 70.10(14) . . ?
O4 Sm4 O5M 75.3(2) . . ?
O4 Sm4 O5M' 75.3(3) . . ?
O4 Sm4 O6M 107.36(16) . . ?
O4 Sm4 O2D 97.3(2) . . ?
O4 Sm4 O2D' 96.6(3) . . ?
O5M Sm4 N3 74.9(2) . 4_686 ?
O5M Sm4 Sm2 88.6(2) . . ?
O5M Sm4 Sm3 103.4(2) . . ?
O5M' Sm4 Sm2 97.6(3) . . ?
O5M' Sm4 Sm3 94.2(3) . . ?
O5M' Sm4 O2 129.7(4) . . ?
O5M' Sm4 O3 129.1(4) . . ?
O5M' Sm4 O6M 83.8(4) . . ?
O5M' Sm4 O2D' 76.2(5) . . ?
O6M Sm4 N3 74.06(18) . 4_686 ?
O6M Sm4 Sm2 84.05(13) . . ?
O6M Sm4 Sm3 143.92(12) . . ?
O6M Sm4 O2 74.90(16) . . ?
O6M Sm4 O5M 67.1(3) . . ?
O6M Sm4 O2D 136.6(4) . . ?
O6M Sm4 O2D' 143.7(4) . . ?
O2B Sm4 N3 70.83(17) . 4_686 ?
O2B Sm4 Sm2 117.72(14) . . ?
O2B Sm4 Sm3 113.42(14) . . ?
O2B Sm4 O2 82.15(17) . . ?
O2B Sm4 O3 76.49(17) . . ?
O2B Sm4 O4 141.70(16) . . ?
O2B Sm4 O5M 141.8(3) . . ?
O2B Sm4 O5M' 142.5(3) . . ?
O2B Sm4 O6M 87.4(2) . . ?
O2B Sm4 O2D 94.9(3) . . ?
O2B Sm4 O2D' 90.2(3) . . ?
O2D Sm4 N3 66.1(3) . 4_686 ?
O2D Sm4 Sm2 130.6(2) . . ?
O2D Sm4 Sm3 73.3(3) . . ?
O2D Sm4 O5M 86.2(4) . . ?
O2D' Sm4 Sm2 128.1(3) . . ?
O2D' Sm4 Sm3 68.6(3) . . ?
Sm1 O1 Sm2 100.59(14) . . ?
Sm1 O1 H1 111.7 . . ?
Sm2 O1 H1 111.7 . . ?
Sm3 O1 Sm1 112.28(16) . . ?
Sm3 O1 Sm2 108.24(15) . . ?
Sm3 O1 H1 111.7 . . ?
Sm1 O2 Sm2 99.79(14) . . ?
Sm1 O2 Sm4 110.33(16) . . ?
Sm1 O2 H2 112.9 . . ?
Sm2 O2 Sm4 107.27(14) . . ?
Sm2 O2 H2 112.9 . . ?
Sm4 O2 H2 112.9 . . ?
Sm1 O3 H3 111.4 . . ?
Sm3 O3 Sm1 109.09(16) . . ?
Sm3 O3 Sm4 104.47(16) . . ?
Sm3 O3 H3 111.4 . . ?
Sm4 O3 Sm1 108.71(16) . . ?
Sm4 O3 H3 111.4 . . ?
Sm2 O4 Sm3 107.04(15) . . ?
Sm2 O4 H4 111.3 . . ?
Sm3 O4 H4 111.3 . . ?
Sm4 O4 Sm2 111.30(15) . . ?
Sm4 O4 Sm3 104.26(16) . . ?
Sm4 O4 H4 111.3 . . ?
Sm1 O1A Sm2 88.33(16) 2_556 2_556 ?
C1A O1A Sm1 148.1(5) . 2_556 ?
C1A O1A Sm2 87.5(5) . 2_556 ?
C1A O2A Sm2 98.0(5) . 2_556 ?
O1A C1A Sm2 68.4(5) . 2_556 ?
O1A C1A O2A 124.1(8) . . ?
O1A C1A C2A 117.0(8) . . ?
O2A C1A Sm2 57.4(4) . 2_556 ?
O2A C1A C2A 118.8(7) . . ?
C2A C1A Sm2 162.2(5) . 2_556 ?
C3A C2A C1A 120.1(7) . . ?
C5A C2A C1A 122.1(7) . . ?
C5A C2A C3A 117.8(7) . . ?
C2A C3A H3A 120.2 . . ?
C2A C3A C4A 119.5(7) . . ?
C4A C3A H3A 120.2 . . ?
C3A C4A H4A 118.2 . . ?
N1A C4A C3A 123.6(8) . . ?
N1A C4A H4A 118.2 . . ?
C2A C5A H5A 120.2 . . ?
C2A C5A C6A 119.5(8) . . ?
C6A C5A H5A 120.2 . . ?
C5A C6A H6A 118.6 . . ?
N1A C6A C5A 122.8(8) . . ?
N1A C6A H6A 118.6 . . ?
C4A N1A Sm1 117.9(5) . . ?
C4A N1A C6A 116.7(6) . . ?
C6A N1A Sm1 125.2(5) . . ?
C1B O1B Sm1 134.9(5) . . ?
C1B O2B Sm4 138.2(5) . . ?
O1B C1B O2B 127.1(6) . . ?
O1B C1B C2B 117.4(6) . . ?
O2B C1B C2B 115.5(6) . . ?
C3B C2B C1B 121.1(7) . . ?
C3B C2B C5B 119.2(7) . . ?
C5B C2B C1B 119.5(7) . . ?
C2B C3B H3B 120.7 . . ?
C2B C3B C4B 118.6(7) . . ?
C4B C3B H3B 120.7 . . ?
C3B C4B H4B 118.5 . . ?
N1B C4B C3B 122.9(7) . . ?
N1B C4B H4B 118.5 . . ?
C2B C5B H5B 120.7 . . ?
C6B C5B C2B 118.5(8) . . ?
C6B C5B H5B 120.7 . . ?
C5B C6B H6B 118.9 . . ?
N1B C6B C5B 122.2(9) . . ?
N1B C6B H6B 118.9 . . ?
C4B N1B C6B 118.6(7) . . ?
C1C O1C Sm2 130.1(5) . . ?
C1C O2C Sm3 139.9(6) . . ?
O1C C1C O2C 127.4(8) . . ?
O1C C1C C2C 114.8(8) . . ?
O2C C1C C2C 117.7(8) . . ?
C3C C2C C1C 121.1(10) . . ?
C3C C2C C5C 119.4(10) . . ?
C5C C2C C1C 119.3(10) . . ?
C2C C3C H3C 120.9 . . ?
C2C C3C C4C 118.3(12) . . ?
C4C C3C H3C 120.9 . . ?
C3C C4C H4C 118.4 . . ?
N1C C4C C3C 123.3(13) . . ?
N1C C4C H4C 118.4 . . ?
C2C C5C H5C 120.3 . . ?
C6C C5C C2C 119.3(11) . . ?
C6C C5C H5C 120.3 . . ?
C5C C6C H6C 119.3 . . ?
N1C C6C C5C 121.5(12) . . ?
N1C C6C H6C 119.3 . . ?
C6C N1C C4C 117.9(11) . . ?
C1D O1D Sm3 134.8(4) . . ?
C1D O2D Sm4 118.5(7) . . ?
C1D O2D' Sm4 114.5(8) . . ?
O1D C1D O2D 126.2(8) . . ?
O1D C1D O2D' 122.1(9) . . ?
O1D C1D C2D 116.6(5) . . ?
O2D C1D C2D 116.6(7) . . ?
O2D' C1D C2D 120.4(8) . . ?
C3D C2D C1D 120.3(6) . . ?
C5D C2D C1D 121.2(6) . . ?
C5D C2D C3D 118.5(6) . . ?
C2D C3D H3D 120.4 . . ?
C4D C3D C2D 119.1(6) . . ?
C4D C3D H3D 120.4 . . ?
C3D C4D H4D 118.4 . . ?
N1D C4D C3D 123.2(7) . . ?
N1D C4D H4D 118.4 . . ?
C2D C5D H5D 120.8 . . ?
C2D C5D C6D 118.3(7) . . ?
C6D C5D H5D 120.8 . . ?
C5D C6D H6D 118.2 . . ?
N1D C6D C5D 123.6(8) . . ?
N1D C6D H6D 118.2 . . ?
C4D N1D C6D 117.1(7) . . ?

_refine_diff_density_max         4.072
_refine_diff_density_min         -3.822
_refine_diff_density_rms         0.218



####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit74Dy
_database_code_depnum_ccdc_archive 'CCDC 1904284'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-27 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H38 Dy4 N10 O21 Re6 S8'
_chemical_formula_weight         2898.38

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'
Dy Dy -0.1892 4.4098 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.5236(7)
_cell_length_b                   12.3713(3)
_cell_length_c                   23.4758(7)
_cell_angle_alpha                90
_cell_angle_beta                 110.565(3)
_cell_angle_gamma                90
_cell_volume                     6124.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    17637
_cell_measurement_theta_min      3.63
_cell_measurement_theta_max      29.18

_exptl_crystal_description       stick
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.143
_exptl_crystal_F_000             5192
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    16.961
_shelx_estimated_absorpt_T_min   0.150
_shelx_estimated_absorpt_T_max   0.344
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.34839
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6
_diffrn_reflns_number            33174
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.282
_diffrn_reflns_theta_max         25.348
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             11148
_reflns_number_gt                10148
_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.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+596.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11148
_refine_ls_number_parameters     847
_refine_ls_number_restraints     677
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0617
_refine_ls_wR_factor_ref         0.1321
_refine_ls_wR_factor_gt          0.1303
_refine_ls_goodness_of_fit_ref   1.288
_refine_ls_restrained_S_all      1.256
_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
Re1 Re 0.30632(4) 1.09207(6) 0.57279(3) 0.01162(17) Uani 1 1 d . U . . .
Re2 Re 0.32770(4) 1.29767(6) 0.58825(3) 0.01105(17) Uani 1 1 d . U . . .
Re3 Re 0.23011(3) 1.33756(6) 0.49139(3) 0.00925(16) Uani 1 1 d . U . . .
Re4 Re 0.20859(3) 1.13104(6) 0.47569(3) 0.00904(16) Uani 1 1 d . U . . .
Re5 Re 0.31928(3) 1.20906(6) 0.48560(3) 0.00876(16) Uani 1 1 d . U . . .
Re6 Re 0.21721(4) 1.22127(6) 0.57816(3) 0.01205(17) Uani 1 1 d . U . . .
S1 S 0.4055(2) 1.1725(4) 0.5791(2) 0.0160(10) Uani 1 1 d . . . . .
S2 S 0.3350(2) 1.3996(4) 0.5042(2) 0.0123(10) Uani 1 1 d . . . . .
S3 S 0.2250(2) 1.2451(4) 0.39956(19) 0.0102(9) Uani 1 1 d . . . . .
S4 S 0.2960(2) 1.0187(4) 0.4750(2) 0.0139(10) Uani 1 1 d . . . . .
S5 S 0.3114(3) 1.1850(4) 0.6646(2) 0.0211(12) Uani 1 1 d . . . . .
S6 S 0.2418(2) 1.4104(4) 0.5895(2) 0.0164(10) Uani 1 1 d . . . . .
S7 S 0.1311(2) 1.2565(4) 0.4852(2) 0.0158(10) Uani 1 1 d . . . . .
S8 S 0.2010(2) 1.0303(4) 0.5603(2) 0.0154(10) Uani 1 1 d . . . . .
C1 C 0.3504(9) 0.9562(17) 0.6237(9) 0.017(3) Uani 1 1 d . U . . .
N1 N 0.3755(8) 0.8856(14) 0.6555(8) 0.020(3) Uani 1 1 d . U . . .
C2 C 0.3960(10) 1.3911(17) 0.6537(9) 0.018(3) Uani 1 1 d . U . . .
N2 N 0.4330(9) 1.4430(15) 0.6879(8) 0.022(3) Uani 1 1 d . U . . .
C3 C 0.1872(9) 1.4826(15) 0.4484(8) 0.0105(16) Uani 1 1 d . U . . .
N3 N 0.1625(7) 1.5606(13) 0.4257(7) 0.013(2) Uani 1 1 d . U . . .
C4 C 0.1365(9) 1.0387(16) 0.4104(9) 0.014(3) Uani 1 1 d . U . . .
N4 N 0.0956(8) 0.9939(14) 0.3752(7) 0.017(3) Uani 1 1 d . U . . .
C5 C 0.3790(9) 1.2129(16) 0.4333(9) 0.014(3) Uani 1 1 d . U . . .
N5 N 0.4127(8) 1.2255(14) 0.4060(7) 0.017(3) Uani 1 1 d . U . . .
C6 C 0.1566(10) 1.2349(18) 0.6286(10) 0.021(3) Uani 1 1 d . U . . .
N6 N 0.1249(9) 1.2508(17) 0.6571(9) 0.030(4) Uani 1 1 d . U . . .
Dy1 Dy 0.41280(5) 0.78868(9) 0.75421(4) 0.0199(2) Uani 1 1 d . U . . .
Dy2 Dy 0.50952(4) 0.54101(7) 0.77730(4) 0.01083(19) Uani 1 1 d . U . . .
Dy3 Dy 0.53610(4) 0.75338(7) 0.67589(4) 0.01218(19) Uani 1 1 d . U . . .
Dy4 Dy 0.59008(4) 0.80696(8) 0.84603(4) 0.0146(2) Uani 1 1 d D U . . .
O1 O 0.4571(6) 0.6683(11) 0.7019(6) 0.0124(19) Uani 1 1 d . U . . .
H1 H 0.424101 0.634202 0.665962 0.015 Uiso 1 1 calc R U . . .
O2 O 0.4965(6) 0.7001(11) 0.8272(6) 0.015(2) Uani 1 1 d . U . . .
H2 H 0.487493 0.684609 0.865224 0.017 Uiso 1 1 calc R U . . .
O3 O 0.5087(6) 0.8529(11) 0.7474(6) 0.015(2) Uani 1 1 d . U . . .
H3 H 0.507156 0.932266 0.738997 0.018 Uiso 1 1 calc R U . . .
O4 O 0.5832(6) 0.6752(11) 0.7745(6) 0.0117(19) Uani 1 1 d . U . . .
H4 H 0.625697 0.643236 0.780090 0.014 Uiso 1 1 calc R U . . .
O1M O 0.4518(8) 0.7247(15) 0.5823(8) 0.036(4) Uani 1 1 d . . . . .
O2M O 0.5122(9) 0.9359(14) 0.6363(8) 0.035(4) Uani 1 1 d . . . . .
O3M O 0.6894(7) 0.7143(15) 0.8904(8) 0.023(4) Uani 0.8 1 d D U P A 1
O4M O 0.5929(10) 0.738(3) 0.9420(8) 0.039(7) Uani 0.8 1 d D U P A 1
O3M' O 0.6990(12) 0.763(6) 0.865(3) 0.021(7) Uani 0.2 1 d D U P A 2
O4M' O 0.619(5) 0.730(12) 0.946(3) 0.037(10) Uani 0.2 1 d D U P A 2
O1A O 0.0844(8) 1.0181(16) 0.7004(9) 0.043(4) Uani 1 1 d . U . . .
O2A O 0.1505(10) 1.1436(19) 0.7672(11) 0.060(5) Uani 1 1 d . U . . .
C1A C 0.1379(13) 1.059(3) 0.7336(16) 0.053(4) Uani 1 1 d D U . . .
C2A C 0.1960(10) 0.996(2) 0.7337(12) 0.065(5) Uani 1 1 d D U . . .
C3A C 0.1979(13) 0.913(2) 0.7017(12) 0.073(6) Uani 1 1 d D U . . .
H3A H 0.157650 0.890921 0.674122 0.088 Uiso 1 1 calc R U . . .
C4A C 0.2483(12) 0.849(2) 0.6998(13) 0.077(6) Uani 1 1 d D U . . .
H4A H 0.242727 0.789365 0.672775 0.092 Uiso 1 1 calc R U . . .
C5A C 0.2506(12) 1.023(2) 0.7712(14) 0.077(6) Uani 1 1 d D U . . .
H5A H 0.256308 1.081240 0.799217 0.092 Uiso 1 1 calc R U . . .
C6A C 0.3008(12) 0.961(2) 0.7675(12) 0.081(6) Uani 1 1 d D U . . .
H6A H 0.341478 0.987204 0.792204 0.097 Uiso 1 1 calc R U . . .
N1A N 0.3024(9) 0.8769(19) 0.7372(11) 0.069(5) Uani 1 1 d D U . . .
O1B O 0.5351(8) 0.9472(13) 0.8693(7) 0.033(2) Uani 1 1 d D U . . .
O2B O 0.4349(13) 0.955(3) 0.8054(13) 0.030(3) Uani 0.6 1 d D U P B 1
C1B C 0.4889(9) 1.001(2) 0.8316(10) 0.031(2) Uani 0.6 1 d D U P B 1
C2B C 0.4931(12) 1.1223(15) 0.8211(7) 0.028(2) Uani 0.6 1 d D U P B 1
C3B C 0.4451(13) 1.186(2) 0.8057(10) 0.027(3) Uani 0.6 1 d D U P B 1
H3B H 0.404154 1.158049 0.800192 0.033 Uiso 0.6 1 calc R U P B 1
C4B C 0.4531(12) 1.296(2) 0.7969(11) 0.027(3) Uani 0.6 1 d D U P B 1
H4B H 0.416174 1.339363 0.785415 0.032 Uiso 0.6 1 calc R U P B 1
C5B C 0.5453(13) 1.170(2) 0.8270(11) 0.028(3) Uani 0.6 1 d D U P B 1
H5B H 0.582407 1.126813 0.838532 0.033 Uiso 0.6 1 calc R U P B 1
C6B C 0.5532(12) 1.280(2) 0.8181(12) 0.027(3) Uani 0.6 1 d D U P B 1
H6B H 0.594083 1.307944 0.823370 0.032 Uiso 0.6 1 calc R U P B 1
N1B N 0.5053(11) 1.3426(15) 0.8030(10) 0.025(3) Uani 0.6 1 d D U P B 1
O2B' O 0.4274(19) 0.932(4) 0.8122(17) 0.031(3) Uani 0.4 1 d D U P B 2
C1B' C 0.4754(9) 0.9649(17) 0.8578(11) 0.031(2) Uani 0.4 1 d D U P B 2
C2B' C 0.4570(16) 1.0337(17) 0.9028(10) 0.032(3) Uani 0.4 1 d D U P B 2
C3B' C 0.4043(14) 1.048(3) 0.9115(12) 0.032(3) Uani 0.4 1 d D U P B 2
H3B' H 0.372570 1.005483 0.882905 0.039 Uiso 0.4 1 calc R U P B 2
C4B' C 0.3766(17) 1.104(3) 0.9475(17) 0.032(3) Uani 0.4 1 d D U P B 2
H4B' H 0.333654 1.101192 0.945154 0.039 Uiso 0.4 1 calc R U P B 2
C5B' C 0.5023(17) 1.089(3) 0.9403(17) 0.032(3) Uani 0.4 1 d D U P B 2
H5B' H 0.545263 1.091872 0.942756 0.038 Uiso 0.4 1 calc R U P B 2
C6B' C 0.4748(17) 1.145(3) 0.9765(17) 0.032(3) Uani 0.4 1 d D U P B 2
H6B' H 0.506292 1.187880 1.005286 0.038 Uiso 0.4 1 calc R U P B 2
N1B' N 0.4220(17) 1.158(2) 0.9842(13) 0.032(3) Uani 0.4 1 d D U P B 2
O1C O 0.5704(7) 0.4564(12) 0.7289(7) 0.023(3) Uani 1 1 d . U . . .
O2C O 0.5638(7) 0.5766(12) 0.6571(7) 0.024(3) Uani 1 1 d . U . . .
C1C C 0.5802(11) 0.488(2) 0.6823(10) 0.026(3) Uani 1 1 d . U . . .
C2C C 0.6194(12) 0.413(2) 0.6601(11) 0.032(3) Uani 1 1 d . U . . .
C3C C 0.6325(12) 0.309(2) 0.6808(11) 0.035(4) Uani 1 1 d . U . . .
H3C H 0.614913 0.279511 0.708792 0.042 Uiso 1 1 calc R U . . .
C4C C 0.6717(13) 0.248(2) 0.6598(12) 0.042(4) Uani 1 1 d . U . . .
H4C H 0.679947 0.175100 0.673729 0.050 Uiso 1 1 calc R U . . .
C5C C 0.6438(12) 0.452(2) 0.6161(12) 0.037(4) Uani 1 1 d . U . . .
H5C H 0.634300 0.522885 0.599581 0.045 Uiso 1 1 calc R U . . .
C6C C 0.6827(13) 0.382(2) 0.5984(12) 0.039(4) Uani 1 1 d . U . . .
H6C H 0.698467 0.405775 0.567960 0.047 Uiso 1 1 calc R U . . .
N1C N 0.6991(11) 0.2842(19) 0.6208(10) 0.043(4) Uani 1 1 d . U . . .
O1D O 0.6310(7) 0.8344(13) 0.7145(7) 0.026(3) Uani 1 1 d D U . . .
O2D O 0.6485(9) 0.9137(15) 0.8046(7) 0.026(4) Uani 0.8 1 d D U P A 1
O2D' O 0.629(4) 0.9257(18) 0.791(3) 0.025(5) Uani 0.2 1 d D U P A 2
C1D C 0.6559(10) 0.9041(17) 0.7545(7) 0.023(3) Uani 1 1 d D U . . .
C2D C 0.7073(10) 0.9757(18) 0.7468(9) 0.021(3) Uani 1 1 d . U . . .
C3D C 0.7295(10) 0.9557(19) 0.6993(10) 0.023(4) Uani 1 1 d . U . . .
H3D H 0.712234 0.898360 0.671444 0.028 Uiso 1 1 calc R U . . .
C4D C 0.7764(10) 1.0197(18) 0.6935(10) 0.025(4) Uani 1 1 d . U . . .
H4D H 0.791559 1.004839 0.661304 0.030 Uiso 1 1 calc R U . . .
C5D C 0.7310(10) 1.0610(19) 0.7838(10) 0.023(3) Uani 1 1 d . U . . .
H5D H 0.715076 1.077932 0.815220 0.028 Uiso 1 1 calc R U . . .
C6D C 0.7789(11) 1.125(2) 0.7757(11) 0.028(4) Uani 1 1 d . U . . .
H6D H 0.795730 1.184225 0.801923 0.034 Uiso 1 1 calc R U . . .
N1D N 0.8017(9) 1.1006(16) 0.7300(9) 0.029(3) Uani 1 1 d . U . . .
O1W O 0.3402(8) 0.6405(15) 0.5841(8) 0.039(4) Uani 1 1 d . . . . .
O2W O 0.7380(11) 0.7283(19) 1.0292(11) 0.040(6) Uani 0.75 1 d . U P . .
O3W O 0.4899(15) 0.604(3) 0.9421(14) 0.043(8) Uani 0.6 1 d . U P . .
O4W O 0.4683(16) 0.744(3) 0.4714(14) 0.034(8) Uani 0.5 1 d . U P . .
O5W O 0.4886(19) 0.460(4) 0.5454(19) 0.053(11) Uani 0.5 1 d . U P . .
O6W O 0.4767(17) 1.383(3) 0.9329(15) 0.040(9) Uani 0.5 1 d . . P . .
O7W O 0.485(2) 1.081(3) 0.7189(18) 0.051(10) Uani 0.5 1 d . U P . .
O8W O 0.429(3) 0.950(5) 0.429(3) 0.027(14) Uani 0.25 1 d . U P . .
O9W O 0.578(2) 1.154(3) 0.8274(18) 0.028(3) Uani 0.4 1 d . U P C 2


_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
Re1 Re2 2.5904(11) . ?
Re1 Re4 2.5979(10) . ?
Re1 Re5 2.6057(10) . ?
Re1 Re6 2.6031(11) . ?
Re1 S1 2.401(5) . ?
Re1 S4 2.402(5) . ?
Re1 S5 2.409(5) . ?
Re1 S8 2.410(5) . ?
Re1 C1 2.10(2) . ?
Re2 Re3 2.5950(11) . ?
Re2 Re5 2.5930(10) . ?
Re2 Re6 2.5939(11) . ?
Re2 S1 2.403(5) . ?
Re2 S2 2.396(5) . ?
Re2 S5 2.398(5) . ?
Re2 S6 2.394(5) . ?
Re2 C2 2.10(2) . ?
Re3 Re4 2.6026(10) . ?
Re3 Re5 2.6022(10) . ?
Re3 Re6 2.5922(10) . ?
Re3 S2 2.400(5) . ?
Re3 S3 2.408(4) . ?
Re3 S6 2.400(5) . ?
Re3 S7 2.403(5) . ?
Re3 C3 2.118(19) . ?
Re4 Re5 2.6064(10) . ?
Re4 Re6 2.5968(10) . ?
Re4 S3 2.405(4) . ?
Re4 S4 2.415(5) . ?
Re4 S7 2.404(5) . ?
Re4 S8 2.402(5) . ?
Re4 C4 2.131(19) . ?
Re5 S1 2.408(5) . ?
Re5 S2 2.401(5) . ?
Re5 S3 2.403(4) . ?
Re5 S4 2.407(5) . ?
Re5 C5 2.116(19) . ?
Re6 S5 2.406(6) . ?
Re6 S6 2.397(5) . ?
Re6 S7 2.396(5) . ?
Re6 S8 2.405(5) . ?
Re6 C6 2.10(2) . ?
C1 N1 1.16(3) . ?
N1 Dy1 2.479(17) . ?
C2 N2 1.13(3) . ?
N2 Dy2 2.510(18) 1_565 ?
C3 N3 1.15(2) . ?
N3 Dy4 2.588(16) 4_585 ?
C4 N4 1.14(3) . ?
N4 Dy2 2.469(16) 4_575 ?
C5 N5 1.16(2) . ?
N5 Dy3 2.579(16) 3_676 ?
C6 N6 1.15(3) . ?
N6 Dy1 2.554(19) 2_556 ?
Dy1 Dy2 3.6875(13) . ?
Dy1 Dy3 3.8565(12) . ?
Dy1 Dy4 3.8203(14) . ?
Dy1 O1 2.363(12) . ?
Dy1 O2 2.328(13) . ?
Dy1 O3 2.359(13) . ?
Dy1 O2A 2.24(2) 2_546 ?
Dy1 N1A 2.616(17) . ?
Dy1 O2B 2.34(3) . ?
Dy1 O2B' 2.19(5) . ?
Dy2 Dy3 3.7325(13) . ?
Dy2 Dy4 3.8294(13) . ?
Dy2 O1 2.354(13) . ?
Dy2 O2 2.361(13) . ?
Dy2 O4 2.365(13) . ?
Dy2 O1A 2.368(15) 2_546 ?
Dy2 N1B 2.537(19) 1_545 ?
Dy2 O1C 2.316(14) . ?
Dy3 Dy4 3.8026(13) . ?
Dy3 O1 2.326(12) . ?
Dy3 O3 2.334(13) . ?
Dy3 O4 2.386(13) . ?
Dy3 O1M 2.373(17) . ?
Dy3 O2M 2.429(16) . ?
Dy3 O2C 2.357(15) . ?
Dy3 O1D 2.243(15) . ?
Dy4 O2 2.395(13) . ?
Dy4 O3 2.462(13) . ?
Dy4 O4 2.307(13) . ?
Dy4 O3M 2.402(13) . ?
Dy4 O4M 2.392(13) . ?
Dy4 O3M' 2.395(15) . ?
Dy4 O4M' 2.395(15) . ?
Dy4 O1B 2.307(16) . ?
Dy4 O2D 2.307(15) . ?
Dy4 O2D' 2.311(17) . ?
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.29(4) . ?
O2A C1A 1.28(4) . ?
C1A C2A 1.52(2) . ?
C2A C3A 1.280(17) . ?
C2A C5A 1.282(17) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.40(2) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.274(17) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.39(2) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.273(16) . ?
O1B C1B 1.290(17) . ?
O1B C1B' 1.293(18) . ?
O2B C1B 1.291(17) . ?
C1B C2B 1.52(2) . ?
C2B C3B 1.281(17) . ?
C2B C5B 1.280(17) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.39(2) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.275(17) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.39(2) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.272(17) . ?
O2B' C1B' 1.292(18) . ?
C1B' C2B' 1.52(3) . ?
C2B' C3B' 1.285(17) . ?
C2B' C5B' 1.287(17) . ?
C3B' H3B' 0.9500 . ?
C3B' C4B' 1.39(2) . ?
C4B' H4B' 0.9500 . ?
C4B' N1B' 1.275(17) . ?
C5B' H5B' 0.9500 . ?
C5B' C6B' 1.40(2) . ?
C6B' H6B' 0.9500 . ?
C6B' N1B' 1.276(17) . ?
O1C C1C 1.25(3) . ?
O2C C1C 1.24(3) . ?
C1C C2C 1.49(3) . ?
C2C C3C 1.37(4) . ?
C2C C5C 1.42(3) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.38(4) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.35(3) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.40(3) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.31(3) . ?
O1D C1D 1.253(15) . ?
O2D C1D 1.251(15) . ?
O2D' C1D 1.255(16) . ?
C1D C2D 1.52(3) . ?
C2D C3D 1.40(3) . ?
C2D C5D 1.35(3) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.37(3) . ?
C4D H4D 0.9500 . ?
C4D N1D 1.31(3) . ?
C5D H5D 0.9500 . ?
C5D C6D 1.40(3) . ?
C6D H6D 0.9500 . ?
C6D N1D 1.38(3) . ?

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
Re2 Re1 Re4 89.96(3) . . ?
Re2 Re1 Re5 59.87(3) . . ?
Re2 Re1 Re6 59.93(3) . . ?
Re4 Re1 Re5 60.12(3) . . ?
Re4 Re1 Re6 59.91(3) . . ?
Re6 Re1 Re5 89.89(3) . . ?
S1 Re1 Re2 57.40(12) . . ?
S1 Re1 Re4 117.41(12) . . ?
S1 Re1 Re5 57.32(12) . . ?
S1 Re1 Re6 117.29(12) . . ?
S1 Re1 S4 89.51(17) . . ?
S1 Re1 S5 89.78(18) . . ?
S1 Re1 S8 173.30(17) . . ?
S4 Re1 Re2 117.11(12) . . ?
S4 Re1 Re4 57.61(12) . . ?
S4 Re1 Re5 57.27(12) . . ?
S4 Re1 Re6 117.46(12) . . ?
S4 Re1 S5 173.25(18) . . ?
S4 Re1 S8 90.21(17) . . ?
S5 Re1 Re2 57.19(13) . . ?
S5 Re1 Re4 117.09(14) . . ?
S5 Re1 Re5 117.02(13) . . ?
S5 Re1 Re6 57.22(14) . . ?
S5 Re1 S8 89.72(18) . . ?
S8 Re1 Re2 117.07(13) . . ?
S8 Re1 Re4 57.18(11) . . ?
S8 Re1 Re5 117.26(12) . . ?
S8 Re1 Re6 57.18(13) . . ?
C1 Re1 Re2 132.7(6) . . ?
C1 Re1 Re4 137.2(6) . . ?
C1 Re1 Re5 137.0(5) . . ?
C1 Re1 Re6 133.1(5) . . ?
C1 Re1 S1 93.0(6) . . ?
C1 Re1 S4 96.3(6) . . ?
C1 Re1 S5 90.5(6) . . ?
C1 Re1 S8 93.7(6) . . ?
Re1 Re2 Re3 90.31(3) . . ?
Re1 Re2 Re5 60.36(3) . . ?
Re1 Re2 Re6 60.28(3) . . ?
Re5 Re2 Re3 60.21(3) . . ?
Re5 Re2 Re6 90.37(3) . . ?
Re6 Re2 Re3 59.94(3) . . ?
S1 Re2 Re1 57.34(13) . . ?
S1 Re2 Re3 117.65(12) . . ?
S1 Re2 Re5 57.49(12) . . ?
S1 Re2 Re6 117.58(13) . . ?
S2 Re2 Re1 117.69(12) . . ?
S2 Re2 Re3 57.33(12) . . ?
S2 Re2 Re5 57.38(12) . . ?
S2 Re2 Re6 117.25(12) . . ?
S2 Re2 S1 90.17(17) . . ?
S2 Re2 S5 173.85(18) . . ?
S5 Re2 Re1 57.60(13) . . ?
S5 Re2 Re3 117.39(14) . . ?
S5 Re2 Re5 117.92(13) . . ?
S5 Re2 Re6 57.47(14) . . ?
S5 Re2 S1 90.00(18) . . ?
S6 Re2 Re1 117.54(12) . . ?
S6 Re2 Re3 57.35(12) . . ?
S6 Re2 Re5 117.53(12) . . ?
S6 Re2 Re6 57.28(12) . . ?
S6 Re2 S1 173.79(17) . . ?
S6 Re2 S2 89.61(17) . . ?
S6 Re2 S5 89.56(19) . . ?
C2 Re2 Re1 134.1(6) . . ?
C2 Re2 Re3 135.6(6) . . ?
C2 Re2 Re5 135.1(6) . . ?
C2 Re2 Re6 134.5(6) . . ?
C2 Re2 S1 92.9(6) . . ?
C2 Re2 S2 93.9(6) . . ?
C2 Re2 S5 92.2(6) . . ?
C2 Re2 S6 93.3(6) . . ?
Re2 Re3 Re4 89.75(3) . . ?
Re2 Re3 Re5 59.86(3) . . ?
Re5 Re3 Re4 60.10(3) . . ?
Re6 Re3 Re2 60.01(3) . . ?
Re6 Re3 Re4 59.98(3) . . ?
Re6 Re3 Re5 90.20(3) . . ?
S2 Re3 Re2 57.15(11) . . ?
S2 Re3 Re4 117.25(12) . . ?
S2 Re3 Re5 57.20(12) . . ?
S2 Re3 Re6 117.14(12) . . ?
S2 Re3 S3 89.99(16) . . ?
S2 Re3 S6 89.35(16) . . ?
S2 Re3 S7 173.14(17) . . ?
S3 Re3 Re2 116.98(11) . . ?
S3 Re3 Re4 57.21(11) . . ?
S3 Re3 Re5 57.17(11) . . ?
S3 Re3 Re6 117.16(12) . . ?
S6 Re3 Re2 57.11(13) . . ?
S6 Re3 Re4 117.16(13) . . ?
S6 Re3 Re5 116.94(13) . . ?
S6 Re3 Re6 57.23(12) . . ?
S6 Re3 S3 172.94(17) . . ?
S6 Re3 S7 90.06(17) . . ?
S7 Re3 Re2 117.13(13) . . ?
S7 Re3 Re4 57.24(12) . . ?
S7 Re3 Re5 117.31(13) . . ?
S7 Re3 Re6 57.18(12) . . ?
S7 Re3 S3 89.76(16) . . ?
C3 Re3 Re2 133.1(5) . . ?
C3 Re3 Re4 137.1(5) . . ?
C3 Re3 Re5 136.4(5) . . ?
C3 Re3 Re6 133.3(5) . . ?
C3 Re3 S2 93.0(5) . . ?
C3 Re3 S3 96.1(5) . . ?
C3 Re3 S6 91.0(5) . . ?
C3 Re3 S7 93.8(5) . . ?
Re1 Re4 Re3 89.98(3) . . ?
Re1 Re4 Re5 60.09(3) . . ?
Re3 Re4 Re5 59.94(3) . . ?
Re6 Re4 Re1 60.15(3) . . ?
Re6 Re4 Re3 59.81(3) . . ?
Re6 Re4 Re5 90.01(3) . . ?
S3 Re4 Re1 117.20(11) . . ?
S3 Re4 Re3 57.31(11) . . ?
S3 Re4 Re5 57.14(11) . . ?
S3 Re4 Re6 117.08(12) . . ?
S3 Re4 S4 89.69(16) . . ?
S4 Re4 Re1 57.13(12) . . ?
S4 Re4 Re3 117.02(12) . . ?
S4 Re4 Re5 57.12(12) . . ?
S4 Re4 Re6 117.22(12) . . ?
S7 Re4 Re1 117.21(12) . . ?
S7 Re4 Re3 57.21(12) . . ?
S7 Re4 Re5 117.11(12) . . ?
S7 Re4 Re6 57.10(12) . . ?
S7 Re4 S3 89.80(16) . . ?
S7 Re4 S4 172.99(17) . . ?
S8 Re4 Re1 57.46(12) . . ?
S8 Re4 Re3 117.13(13) . . ?
S8 Re4 Re5 117.51(12) . . ?
S8 Re4 Re6 57.36(12) . . ?
S8 Re4 S3 173.32(17) . . ?
S8 Re4 S4 90.08(17) . . ?
S8 Re4 S7 89.61(17) . . ?
C4 Re4 Re1 136.8(5) . . ?
C4 Re4 Re3 133.2(5) . . ?
C4 Re4 Re5 136.5(5) . . ?
C4 Re4 Re6 133.4(5) . . ?
C4 Re4 S3 93.2(5) . . ?
C4 Re4 S4 95.9(5) . . ?
C4 Re4 S7 91.1(5) . . ?
C4 Re4 S8 93.4(5) . . ?
Re1 Re5 Re4 59.79(3) . . ?
Re2 Re5 Re1 59.77(3) . . ?
Re2 Re5 Re3 59.93(3) . . ?
Re2 Re5 Re4 89.71(3) . . ?
Re3 Re5 Re1 89.82(3) . . ?
Re3 Re5 Re4 59.96(3) . . ?
S1 Re5 Re1 57.06(12) . . ?
S1 Re5 Re2 57.28(12) . . ?
S1 Re5 Re3 117.17(12) . . ?
S1 Re5 Re4 116.82(13) . . ?
S2 Re5 Re1 116.91(11) . . ?
S2 Re5 Re2 57.17(11) . . ?
S2 Re5 Re3 57.17(11) . . ?
S2 Re5 Re4 117.07(12) . . ?
S2 Re5 S1 89.90(17) . . ?
S2 Re5 S3 90.07(16) . . ?
S2 Re5 S4 172.97(16) . . ?
S3 Re5 Re1 116.96(11) . . ?
S3 Re5 Re2 117.22(11) . . ?
S3 Re5 Re3 57.33(11) . . ?
S3 Re5 Re4 57.20(11) . . ?
S3 Re5 S1 172.97(16) . . ?
S3 Re5 S4 89.93(17) . . ?
S4 Re5 Re1 57.11(11) . . ?
S4 Re5 Re2 116.85(12) . . ?
S4 Re5 Re3 117.35(12) . . ?
S4 Re5 Re4 57.44(12) . . ?
S4 Re5 S1 89.24(17) . . ?
C5 Re5 Re1 137.5(5) . . ?
C5 Re5 Re2 132.5(5) . . ?
C5 Re5 Re3 132.5(5) . . ?
C5 Re5 Re4 137.7(5) . . ?
C5 Re5 S1 93.5(5) . . ?
C5 Re5 S2 90.0(6) . . ?
C5 Re5 S3 93.6(5) . . ?
C5 Re5 S4 97.0(6) . . ?
Re2 Re6 Re1 59.79(3) . . ?
Re2 Re6 Re4 89.90(3) . . ?
Re3 Re6 Re1 90.09(3) . . ?
Re3 Re6 Re2 60.05(3) . . ?
Re3 Re6 Re4 60.21(3) . . ?
Re4 Re6 Re1 59.95(3) . . ?
S5 Re6 Re1 57.34(13) . . ?
S5 Re6 Re2 57.18(13) . . ?
S5 Re6 Re3 117.20(13) . . ?
S5 Re6 Re4 117.25(13) . . ?
S6 Re6 Re1 116.93(12) . . ?
S6 Re6 Re2 57.16(12) . . ?
S6 Re6 Re3 57.36(12) . . ?
S6 Re6 Re4 117.50(12) . . ?
S6 Re6 S5 89.29(18) . . ?
S6 Re6 S8 173.27(16) . . ?
S7 Re6 Re1 117.31(12) . . ?
S7 Re6 Re2 117.44(12) . . ?
S7 Re6 Re3 57.44(12) . . ?
S7 Re6 Re4 57.40(12) . . ?
S7 Re6 S5 173.43(17) . . ?
S7 Re6 S6 90.31(18) . . ?
S7 Re6 S8 89.73(17) . . ?
S8 Re6 Re1 57.36(12) . . ?
S8 Re6 Re2 117.11(12) . . ?
S8 Re6 Re3 117.42(11) . . ?
S8 Re6 Re4 57.25(11) . . ?
S8 Re6 S5 89.90(18) . . ?
C6 Re6 Re1 137.7(6) . . ?
C6 Re6 Re2 135.3(6) . . ?
C6 Re6 Re3 132.2(6) . . ?
C6 Re6 Re4 134.7(6) . . ?
C6 Re6 S5 95.4(6) . . ?
C6 Re6 S6 91.7(6) . . ?
C6 Re6 S7 91.1(6) . . ?
C6 Re6 S8 95.0(6) . . ?
Re1 S1 Re2 65.26(13) . . ?
Re1 S1 Re5 65.61(13) . . ?
Re2 S1 Re5 65.23(13) . . ?
Re2 S2 Re3 65.52(12) . . ?
Re2 S2 Re5 65.45(12) . . ?
Re3 S2 Re5 65.63(12) . . ?
Re4 S3 Re3 65.48(11) . . ?
Re5 S3 Re3 65.49(11) . . ?
Re5 S3 Re4 65.65(12) . . ?
Re1 S4 Re4 65.27(12) . . ?
Re1 S4 Re5 65.62(13) . . ?
Re5 S4 Re4 65.44(12) . . ?
Re2 S5 Re1 65.20(12) . . ?
Re2 S5 Re6 65.35(13) . . ?
Re6 S5 Re1 65.44(13) . . ?
Re2 S6 Re3 65.54(12) . . ?
Re2 S6 Re6 65.56(13) . . ?
Re6 S6 Re3 65.41(13) . . ?
Re3 S7 Re4 65.55(12) . . ?
Re6 S7 Re3 65.38(13) . . ?
Re6 S7 Re4 65.50(13) . . ?
Re4 S8 Re1 65.35(12) . . ?
Re4 S8 Re6 65.39(13) . . ?
Re6 S8 Re1 65.46(13) . . ?
N1 C1 Re1 175.1(18) . . ?
C1 N1 Dy1 153.6(16) . . ?
N2 C2 Re2 178.4(19) . . ?
C2 N2 Dy2 170.1(17) . 1_565 ?
N3 C3 Re3 178.0(16) . . ?
C3 N3 Dy4 161.5(15) . 4_585 ?
N4 C4 Re4 176.2(18) . . ?
C4 N4 Dy2 158.2(16) . 4_575 ?
N5 C5 Re5 173.4(18) . . ?
C5 N5 Dy3 166.8(15) . 3_676 ?
N6 C6 Re6 174.5(19) . . ?
C6 N6 Dy1 162.7(18) . 2_556 ?
N1 Dy1 N6 138.6(6) . 2_546 ?
N1 Dy1 Dy2 121.9(4) . . ?
N1 Dy1 Dy3 71.0(4) . . ?
N1 Dy1 Dy4 116.3(4) . . ?
N1 Dy1 N1A 70.3(7) . . ?
N6 Dy1 Dy2 94.4(4) 2_546 . ?
N6 Dy1 Dy3 150.4(4) 2_546 . ?
N6 Dy1 Dy4 97.6(5) 2_546 . ?
N6 Dy1 N1A 68.3(7) 2_546 . ?
Dy2 Dy1 Dy3 59.26(2) . . ?
Dy2 Dy1 Dy4 61.30(2) . . ?
Dy4 Dy1 Dy3 59.38(2) . . ?
O1 Dy1 N1 83.4(5) . . ?
O1 Dy1 N6 129.1(6) . 2_546 ?
O1 Dy1 Dy2 38.5(3) . . ?
O1 Dy1 Dy3 34.4(3) . . ?
O1 Dy1 Dy4 77.4(3) . . ?
O1 Dy1 N1A 137.4(7) . . ?
O2 Dy1 N1 146.8(5) . . ?
O2 Dy1 N6 74.2(5) . 2_546 ?
O2 Dy1 Dy2 38.5(3) . . ?
O2 Dy1 Dy3 76.4(3) . . ?
O2 Dy1 Dy4 36.6(3) . . ?
O2 Dy1 O1 72.9(5) . . ?
O2 Dy1 O3 71.6(5) . . ?
O2 Dy1 N1A 142.1(6) . . ?
O2 Dy1 O2B 93.6(8) . . ?
O3 Dy1 N1 78.0(5) . . ?
O3 Dy1 N6 133.8(6) . 2_546 ?
O3 Dy1 Dy2 77.4(3) . . ?
O3 Dy1 Dy3 34.5(3) . . ?
O3 Dy1 Dy4 38.5(3) . . ?
O3 Dy1 O1 67.3(5) . . ?
O3 Dy1 N1A 133.9(6) . . ?
O2A Dy1 N1 101.4(8) 2_546 . ?
O2A Dy1 N6 70.6(8) 2_546 2_546 ?
O2A Dy1 Dy2 70.3(6) 2_546 . ?
O2A Dy1 Dy3 108.1(5) 2_546 . ?
O2A Dy1 Dy4 129.2(6) 2_546 . ?
O2A Dy1 O1 74.3(6) 2_546 . ?
O2A Dy1 O2 94.3(7) 2_546 . ?
O2A Dy1 O3 141.4(6) 2_546 . ?
O2A Dy1 N1A 78.7(8) 2_546 . ?
O2A Dy1 O2B 145.4(9) 2_546 . ?
N1A Dy1 Dy2 148.2(6) . . ?
N1A Dy1 Dy3 141.3(5) . . ?
N1A Dy1 Dy4 144.2(6) . . ?
O2B Dy1 N1 89.8(8) . . ?
O2B Dy1 N6 79.3(9) . 2_546 ?
O2B Dy1 Dy2 130.1(7) . . ?
O2B Dy1 Dy3 106.5(8) . . ?
O2B Dy1 Dy4 70.5(7) . . ?
O2B Dy1 O1 140.1(8) . . ?
O2B Dy1 O3 72.8(8) . . ?
O2B Dy1 N1A 74.5(9) . . ?
O2B' Dy1 N1 96.8(11) . . ?
O2B' Dy1 Dy2 129.0(10) . . ?
O2B' Dy1 Dy3 114.4(12) . . ?
O2B' Dy1 Dy4 72.6(11) . . ?
O2B' Dy1 O1 146.6(13) . . ?
O2B' Dy1 O2 90.9(11) . . ?
O2B' Dy1 O3 80.1(13) . . ?
O2B' Dy1 N1A 71.6(13) . . ?
N2 Dy2 Dy1 94.7(4) 1_545 . ?
N2 Dy2 Dy3 91.4(4) 1_545 . ?
N2 Dy2 Dy4 148.4(4) 1_545 . ?
N2 Dy2 N1B 70.1(7) 1_545 1_545 ?
N4 Dy2 N2 141.0(6) 4_676 1_545 ?
N4 Dy2 Dy1 120.8(4) 4_676 . ?
N4 Dy2 Dy3 117.8(4) 4_676 . ?
N4 Dy2 Dy4 69.9(4) 4_676 . ?
N4 Dy2 N1B 72.1(6) 4_676 1_545 ?
Dy1 Dy2 Dy3 62.63(2) . . ?
Dy1 Dy2 Dy4 61.06(3) . . ?
Dy3 Dy2 Dy4 60.36(2) . . ?
O1 Dy2 N2 71.2(5) . 1_545 ?
O1 Dy2 N4 147.1(5) . 4_676 ?
O1 Dy2 Dy1 38.7(3) . . ?
O1 Dy2 Dy3 36.9(3) . . ?
O1 Dy2 Dy4 77.3(3) . . ?
O1 Dy2 O2 72.5(4) . . ?
O1 Dy2 O4 71.4(4) . . ?
O1 Dy2 O1A 89.7(6) . 2_546 ?
O1 Dy2 N1B 140.8(6) . 1_545 ?
O2 Dy2 N2 130.5(5) . 1_545 ?
O2 Dy2 N4 83.0(5) . 4_676 ?
O2 Dy2 Dy1 37.8(3) . . ?
O2 Dy2 Dy3 78.8(3) . . ?
O2 Dy2 Dy4 36.7(3) . . ?
O2 Dy2 O4 68.9(4) . . ?
O2 Dy2 O1A 73.4(6) . 2_546 ?
O2 Dy2 N1B 131.9(6) . 1_545 ?
O4 Dy2 N2 126.7(5) . 1_545 ?
O4 Dy2 N4 79.6(5) . 4_676 ?
O4 Dy2 Dy1 78.3(3) . . ?
O4 Dy2 Dy3 38.4(3) . . ?
O4 Dy2 Dy4 34.5(3) . . ?
O4 Dy2 O1A 141.3(6) . 2_546 ?
O4 Dy2 N1B 140.4(6) . 1_545 ?
O1A Dy2 N2 73.9(6) 2_546 1_545 ?
O1A Dy2 N4 104.1(6) 2_546 4_676 ?
O1A Dy2 Dy1 66.7(5) 2_546 . ?
O1A Dy2 Dy3 125.5(5) 2_546 . ?
O1A Dy2 Dy4 109.7(4) 2_546 . ?
O1A Dy2 N1B 73.8(7) 2_546 1_545 ?
N1B Dy2 Dy1 140.3(5) 1_545 . ?
N1B Dy2 Dy3 149.3(5) 1_545 . ?
N1B Dy2 Dy4 141.5(5) 1_545 . ?
O1C Dy2 N2 73.9(6) . 1_545 ?
O1C Dy2 N4 88.3(5) . 4_676 ?
O1C Dy2 Dy1 136.4(4) . . ?
O1C Dy2 Dy3 75.5(4) . . ?
O1C Dy2 Dy4 108.7(4) . . ?
O1C Dy2 O1 99.2(5) . . ?
O1C Dy2 O2 145.0(5) . . ?
O1C Dy2 O4 76.2(5) . . ?
O1C Dy2 O1A 141.5(6) . 2_546 ?
O1C Dy2 N1B 75.9(6) . 1_545 ?
N5 Dy3 Dy1 158.4(4) 3_676 . ?
N5 Dy3 Dy2 139.5(4) 3_676 . ?
N5 Dy3 Dy4 134.7(4) 3_676 . ?
Dy2 Dy3 Dy1 58.12(2) . . ?
Dy2 Dy3 Dy4 61.08(2) . . ?
Dy4 Dy3 Dy1 59.84(2) . . ?
O1 Dy3 N5 145.6(5) . 3_676 ?
O1 Dy3 Dy1 35.0(3) . . ?
O1 Dy3 Dy2 37.4(3) . . ?
O1 Dy3 Dy4 78.2(3) . . ?
O1 Dy3 O3 68.3(5) . . ?
O1 Dy3 O4 71.5(4) . . ?
O1 Dy3 O1M 74.8(5) . . ?
O1 Dy3 O2M 115.7(5) . . ?
O1 Dy3 O2C 84.6(5) . . ?
O3 Dy3 N5 141.6(5) . 3_676 ?
O3 Dy3 Dy1 34.9(3) . . ?
O3 Dy3 Dy2 76.7(3) . . ?
O3 Dy3 Dy4 38.7(3) . . ?
O3 Dy3 O4 69.9(4) . . ?
O3 Dy3 O1M 114.7(5) . . ?
O3 Dy3 O2M 72.9(5) . . ?
O3 Dy3 O2C 141.1(5) . . ?
O4 Dy3 N5 126.9(5) . 3_676 ?
O4 Dy3 Dy1 74.5(3) . . ?
O4 Dy3 Dy2 38.0(3) . . ?
O4 Dy3 Dy4 35.2(3) . . ?
O4 Dy3 O2M 135.3(5) . . ?
O1M Dy3 N5 75.4(5) . 3_676 ?
O1M Dy3 Dy1 89.0(4) . . ?
O1M Dy3 Dy2 103.3(4) . . ?
O1M Dy3 Dy4 148.8(4) . . ?
O1M Dy3 O4 140.9(5) . . ?
O1M Dy3 O2M 77.7(6) . . ?
O2M Dy3 N5 73.6(6) . 3_676 ?
O2M Dy3 Dy1 88.7(4) . . ?
O2M Dy3 Dy2 146.6(4) . . ?
O2M Dy3 Dy4 100.7(4) . . ?
O2C Dy3 N5 74.8(5) . 3_676 ?
O2C Dy3 Dy1 118.4(4) . . ?
O2C Dy3 Dy2 65.0(4) . . ?
O2C Dy3 Dy4 110.5(4) . . ?
O2C Dy3 O4 75.4(5) . . ?
O2C Dy3 O1M 82.3(6) . . ?
O2C Dy3 O2M 146.0(5) . . ?
O1D Dy3 N5 69.1(5) . 3_676 ?
O1D Dy3 Dy1 120.0(4) . . ?
O1D Dy3 Dy2 113.6(4) . . ?
O1D Dy3 Dy4 65.8(4) . . ?
O1D Dy3 O1 143.5(5) . . ?
O1D Dy3 O3 85.9(5) . . ?
O1D Dy3 O4 75.7(5) . . ?
O1D Dy3 O1M 141.3(5) . . ?
O1D Dy3 O2M 77.9(6) . . ?
O1D Dy3 O2C 102.3(5) . . ?
N3 Dy4 Dy3 139.2(3) 4_686 . ?
O2 Dy4 N3 140.7(5) . 4_686 ?
O2 Dy4 Dy3 77.0(3) . . ?
O2 Dy4 O3 68.7(4) . . ?
O2 Dy4 O3M 116.3(6) . . ?
O2 Dy4 O4M' 83(3) . . ?
O3 Dy4 N3 127.2(5) . 4_686 ?
O3 Dy4 Dy3 36.4(3) . . ?
O4 Dy4 N3 146.9(5) . 4_686 ?
O4 Dy4 Dy3 36.6(3) . . ?
O4 Dy4 O2 69.3(4) . . ?
O4 Dy4 O3 69.0(4) . . ?
O4 Dy4 O3M 78.0(5) . . ?
O4 Dy4 O4M 113.9(9) . . ?
O4 Dy4 O3M' 77.3(18) . . ?
O4 Dy4 O4M' 111(4) . . ?
O4 Dy4 O1B 143.1(5) . . ?
O4 Dy4 O2D 90.0(5) . . ?
O4 Dy4 O2D' 89.2(10) . . ?
O3M Dy4 N3 74.6(6) . 4_686 ?
O3M Dy4 Dy3 106.1(4) . . ?
O3M Dy4 O3 142.2(5) . . ?
O4M Dy4 N3 75.3(8) . 4_686 ?
O4M Dy4 Dy3 145.1(8) . . ?
O4M Dy4 O2 72.9(7) . . ?
O4M Dy4 O3 137.2(6) . . ?
O4M Dy4 O3M 73.0(8) . . ?
O3M' Dy4 Dy3 95.0(18) . . ?
O3M' Dy4 O2 133(2) . . ?
O3M' Dy4 O3 127.2(19) . . ?
O3M' Dy4 O4M' 80(3) . . ?
O4M' Dy4 Dy3 147(4) . . ?
O4M' Dy4 O3 150(2) . . ?
O1B Dy4 N3 66.9(6) . 4_686 ?
O1B Dy4 Dy3 112.3(4) . . ?
O1B Dy4 O2 87.0(5) . . ?
O1B Dy4 O3 76.4(5) . . ?
O1B Dy4 O3M 138.8(6) . . ?
O1B Dy4 O4M 83.5(9) . . ?
O1B Dy4 O3M' 136.5(19) . . ?
O1B Dy4 O4M' 93(4) . . ?
O1B Dy4 O2D 95.9(7) . . ?
O1B Dy4 O2D' 89.5(9) . . ?
O2D Dy4 N3 68.5(5) . 4_686 ?
O2D Dy4 Dy3 71.1(4) . . ?
O2D Dy4 O2 146.5(5) . . ?
O2D Dy4 O3 79.5(6) . . ?
O2D Dy4 O3M 82.7(7) . . ?
O2D Dy4 O4M 140.6(7) . . ?
O2D' Dy4 Dy3 64.6(16) . . ?
O2D' Dy4 O2 137(2) . . ?
O2D' Dy4 O3 68(2) . . ?
O2D' Dy4 O3M' 72(3) . . ?
O2D' Dy4 O4M' 140(3) . . ?
Dy1 O1 H1 112.3 . . ?
Dy2 O1 Dy1 102.8(5) . . ?
Dy2 O1 H1 112.3 . . ?
Dy3 O1 Dy1 110.7(5) . . ?
Dy3 O1 Dy2 105.8(5) . . ?
Dy3 O1 H1 112.3 . . ?
Dy1 O2 Dy2 103.7(5) . . ?
Dy1 O2 Dy4 108.0(5) . . ?
Dy1 O2 H2 112.5 . . ?
Dy2 O2 Dy4 107.2(5) . . ?
Dy2 O2 H2 112.5 . . ?
Dy4 O2 H2 112.5 . . ?
Dy1 O3 Dy4 104.8(5) . . ?
Dy1 O3 H3 112.0 . . ?
Dy3 O3 Dy1 110.5(5) . . ?
Dy3 O3 Dy4 104.9(5) . . ?
Dy3 O3 H3 112.0 . . ?
Dy4 O3 H3 112.0 . . ?
Dy2 O4 Dy3 103.6(5) . . ?
Dy2 O4 H4 111.5 . . ?
Dy3 O4 H4 111.5 . . ?
Dy4 O4 Dy2 110.1(5) . . ?
Dy4 O4 Dy3 108.2(5) . . ?
Dy4 O4 H4 111.5 . . ?
C1A O1A Dy2 122.5(17) . 2_556 ?
C1A O2A Dy1 122.1(19) . 2_556 ?
O1A C1A C2A 115(3) . . ?
O2A C1A O1A 131(2) . . ?
O2A C1A C2A 114(3) . . ?
C3A C2A C1A 128(2) . . ?
C3A C2A C5A 113.3(17) . . ?
C5A C2A C1A 119(2) . . ?
C2A C3A H3A 114.1 . . ?
C2A C3A C4A 132(2) . . ?
C4A C3A H3A 114.1 . . ?
C3A C4A H4A 122.8 . . ?
N1A C4A C3A 114(2) . . ?
N1A C4A H4A 122.8 . . ?
C2A C5A H5A 122.8 . . ?
C2A C5A C6A 114(2) . . ?
C6A C5A H5A 122.8 . . ?
C5A C6A H6A 114.0 . . ?
N1A C6A C5A 132(2) . . ?
N1A C6A H6A 114.0 . . ?
C4A N1A Dy1 128.2(15) . . ?
C6A N1A Dy1 117.9(16) . . ?
C6A N1A C4A 113.8(18) . . ?
C1B O1B Dy4 126.7(16) . . ?
C1B' O1B Dy4 133.1(15) . . ?
C1B O2B Dy1 129(3) . . ?
O1B C1B O2B 119(3) . . ?
O1B C1B C2B 122.7(19) . . ?
O2B C1B C2B 118(2) . . ?
C3B C2B C1B 124(2) . . ?
C5B C2B C1B 123(2) . . ?
C5B C2B C3B 113.4(18) . . ?
C2B C3B H3B 120.1 . . ?
C2B C3B C4B 120(2) . . ?
C4B C3B H3B 120.1 . . ?
C3B C4B H4B 116.9 . . ?
N1B C4B C3B 126(2) . . ?
N1B C4B H4B 116.9 . . ?
C2B C5B H5B 116.7 . . ?
C2B C5B C6B 127(2) . . ?
C6B C5B H5B 116.7 . . ?
C5B C6B H6B 120.2 . . ?
N1B C6B C5B 120(2) . . ?
N1B C6B H6B 120.2 . . ?
C4B N1B Dy2 121.7(15) . 1_565 ?
C6B N1B Dy2 123.8(16) . 1_565 ?
C6B N1B C4B 114.3(18) . . ?
C1B' O2B' Dy1 132(3) . . ?
O1B C1B' C2B' 118(2) . . ?
O2B' C1B' O1B 129(3) . . ?
O2B' C1B' C2B' 114(3) . . ?
C3B' C2B' C1B' 133(3) . . ?
C3B' C2B' C5B' 111.9(17) . . ?
C5B' C2B' C1B' 115(3) . . ?
C2B' C3B' H3B' 108.5 . . ?
C2B' C3B' C4B' 143(2) . . ?
C4B' C3B' H3B' 108.5 . . ?
C3B' C4B' H4B' 127.8 . . ?
N1B' C4B' C3B' 104(2) . . ?
N1B' C4B' H4B' 127.8 . . ?
C2B' C5B' H5B' 127.3 . . ?
C2B' C5B' C6B' 105(2) . . ?
C6B' C5B' H5B' 127.3 . . ?
C5B' C6B' H6B' 109.2 . . ?
N1B' C6B' C5B' 142(3) . . ?
N1B' C6B' H6B' 109.2 . . ?
C4B' N1B' C6B' 113.7(19) . . ?
C1C O1C Dy2 127.4(14) . . ?
C1C O2C Dy3 142.0(14) . . ?
O1C C1C C2C 115(2) . . ?
O2C C1C O1C 125(2) . . ?
O2C C1C C2C 120(2) . . ?
C3C C2C C1C 123(2) . . ?
C3C C2C C5C 120(2) . . ?
C5C C2C C1C 118(2) . . ?
C2C C3C H3C 120.9 . . ?
C2C C3C C4C 118(2) . . ?
C4C C3C H3C 120.9 . . ?
C3C C4C H4C 117.9 . . ?
N1C C4C C3C 124(3) . . ?
N1C C4C H4C 117.9 . . ?
C2C C5C H5C 121.8 . . ?
C6C C5C C2C 116(2) . . ?
C6C C5C H5C 121.8 . . ?
C5C C6C H6C 117.7 . . ?
N1C C6C C5C 125(2) . . ?
N1C C6C H6C 117.7 . . ?
C6C N1C C4C 117(2) . . ?
C1D O1D Dy3 136.3(14) . . ?
C1D O2D Dy4 128.8(14) . . ?
C1D O2D' Dy4 128.2(16) . . ?
O1D C1D O2D' 118(3) . . ?
O1D C1D C2D 118.3(15) . . ?
O2D C1D O1D 127(2) . . ?
O2D C1D C2D 114.5(15) . . ?
O2D' C1D C2D 122(3) . . ?
C3D C2D C1D 119.5(18) . . ?
C5D C2D C1D 121.7(17) . . ?
C5D C2D C3D 118.8(19) . . ?
C2D C3D H3D 120.5 . . ?
C4D C3D C2D 119(2) . . ?
C4D C3D H3D 120.5 . . ?
C3D C4D H4D 118.3 . . ?
N1D C4D C3D 123(2) . . ?
N1D C4D H4D 118.3 . . ?
C2D C5D H5D 120.0 . . ?
C2D C5D C6D 120.0(19) . . ?
C6D C5D H5D 120.0 . . ?
C5D C6D H6D 120.0 . . ?
N1D C6D C5D 120(2) . . ?
N1D C6D H6D 120.0 . . ?
C4D N1D C6D 118.6(19) . . ?

_refine_diff_density_max         2.621
_refine_diff_density_min         -2.995
_refine_diff_density_rms         0.402



_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit83gd
_database_code_depnum_ccdc_archive 'CCDC 1904282'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H42 Gd4 N10 O23 Re6 S8'
_chemical_formula_weight         2913.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0050 0.0020 '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 0.0090 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0150 0.0080 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1500 0.1580 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd 0.1070 5.2590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.6850 8.6400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.6751(9)
_cell_length_b                   12.4275(6)
_cell_length_c                   23.6074(10)
_cell_angle_alpha                90
_cell_angle_beta                 110.903(3)
_cell_angle_gamma                90
_cell_volume                     6214.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3350
_cell_measurement_theta_min      3.50
_cell_measurement_theta_max      28.10

_exptl_crystal_description       stick
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.114
_exptl_crystal_F_000             5240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    22.162
_shelx_estimated_absorpt_T_min   0.095
_shelx_estimated_absorpt_T_max   0.404
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.290
_exptl_absorpt_correction_T_max  0.350
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_absorpt_special_details   ?

_diffrn_radiation_source         synchrotron
_diffrn_radiation_monochromator  'Double Crystal Monochromator'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.80246
_diffrn_radiation_type           synchrotron
_diffrn_source                   synchrotron
_diffrn_measurement_device_type  'Rayonix SX-165 CCD'
_diffrn_measurement_method       'φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62471
_diffrn_reflns_av_unetI/netI     0.0568
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.759
_diffrn_reflns_theta_max         29.693
_diffrn_reflns_theta_full        29.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12222
_reflns_number_gt                10986
_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.
 
 _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       'Marccd (Doyle, 2011)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_reduction        'iMosflm (Battye et al., 2011)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0476P)²+81.3400P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12222
_refine_ls_number_parameters     948
_refine_ls_number_restraints     704
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0382
_refine_ls_wR_factor_ref         0.1011
_refine_ls_wR_factor_gt          0.0986
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.002
_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
Re1 Re 0.31000(2) 1.09172(3) 0.57260(2) 0.01219(8) Uani 1 1 d . . . . .
Re2 Re 0.33100(2) 1.29631(3) 0.58875(2) 0.01262(9) Uani 1 1 d . . . . .
Re3 Re 0.23164(2) 1.33744(3) 0.49392(2) 0.01284(9) Uani 1 1 d . . . . .
Re4 Re 0.21091(2) 1.13172(3) 0.47755(2) 0.01240(9) Uani 1 1 d . . . . .
Re5 Re 0.31981(2) 1.21098(3) 0.48532(2) 0.01264(8) Uani 1 1 d . . . . .
Re6 Re 0.22207(2) 1.21872(3) 0.58098(2) 0.01211(8) Uani 1 1 d . . . . .
S1 S 0.40759(10) 1.17344(19) 0.57672(10) 0.0163(4) Uani 1 1 d . . . . .
S2 S 0.33518(10) 1.40081(18) 0.50481(10) 0.0176(4) Uani 1 1 d . . . . .
S3 S 0.22428(11) 1.24725(19) 0.40133(10) 0.0176(4) Uani 1 1 d . . . . .
S4 S 0.29678(10) 1.02118(18) 0.47394(10) 0.0172(4) Uani 1 1 d . . . . .
S5 S 0.31773(10) 1.18186(19) 0.66497(9) 0.0165(4) Uani 1 1 d . . . . .
S6 S 0.24627(10) 1.40748(18) 0.59301(10) 0.0171(4) Uani 1 1 d . . . . .
S7 S 0.13440(10) 1.25428(19) 0.48940(10) 0.0171(4) Uani 1 1 d . . . . .
S8 S 0.20610(10) 1.02880(18) 0.56203(10) 0.0162(4) Uani 1 1 d . . . . .
C1 C 0.3542(4) 0.9533(8) 0.6220(4) 0.0196(19) Uani 1 1 d . . . . .
N1 N 0.3771(4) 0.8819(7) 0.6535(3) 0.0197(17) Uani 1 1 d . . . . .
C2 C 0.4006(4) 1.3874(8) 0.6542(4) 0.0176(19) Uani 1 1 d . . . . .
N2 N 0.4387(4) 1.4335(7) 0.6921(4) 0.0222(17) Uani 1 1 d . . . . .
C3 C 0.1852(4) 1.4806(8) 0.4494(4) 0.021(2) Uani 1 1 d . . . . .
N3 N 0.1591(4) 1.5557(7) 0.4258(3) 0.0202(17) Uani 1 1 d . . . . .
C4 C 0.1408(4) 1.0385(7) 0.4134(4) 0.0177(19) Uani 1 1 d . . . . .
N4 N 0.0998(4) 0.9925(7) 0.3773(4) 0.0228(18) Uani 1 1 d . . . . .
C5 C 0.3788(4) 1.2153(8) 0.4321(4) 0.021(2) Uani 1 1 d . . . . .
N5 N 0.4103(4) 1.2232(7) 0.4037(4) 0.0270(19) Uani 1 1 d . . . . .
C6 C 0.1648(5) 1.2274(8) 0.6354(4) 0.023(2) Uani 1 1 d . . . . .
N6 N 0.1360(4) 1.2361(8) 0.6662(4) 0.028(2) Uani 1 1 d . . . . .
Gd1 Gd 0.40653(2) 0.77058(4) 0.74826(2) 0.02000(11) Uani 1 1 d . . . . .
Gd2 Gd 0.51175(2) 0.53461(3) 0.77947(2) 0.01418(10) Uani 1 1 d . . . . .
Gd3 Gd 0.53687(2) 0.75376(4) 0.67629(2) 0.01615(10) Uani 1 1 d . . . . .
Gd4 Gd 0.58669(2) 0.81000(4) 0.84405(2) 0.01927(11) Uani 1 1 d D . . . .
O1 O 0.4591(3) 0.6585(5) 0.6999(3) 0.0161(13) Uani 1 1 d . . . . .
H1 H 0.428827 0.621299 0.663614 0.019 Uiso 1 1 calc R U . . .
O2 O 0.4950(3) 0.6958(5) 0.8274(3) 0.0137(12) Uani 1 1 d . . . . .
H2 H 0.486291 0.681499 0.865398 0.016 Uiso 1 1 calc R U . . .
O3 O 0.5047(3) 0.8484(5) 0.7474(3) 0.0195(14) Uani 1 1 d . . . . .
H3 H 0.500502 0.927306 0.738637 0.023 Uiso 1 1 calc R U . . .
O4 O 0.5824(3) 0.6719(5) 0.7756(3) 0.0164(13) Uani 1 1 d . . . . .
H4 H 0.625421 0.642234 0.782343 0.020 Uiso 1 1 calc R U . . .
O1M O 0.3234(6) 0.6662(12) 0.6584(8) 0.051(4) Uani 0.613(10) 1 d . U P A 1
O2M O 0.5188(5) 0.3384(8) 0.8089(5) 0.066(3) Uani 1 1 d . U . . .
O3M O 0.4513(4) 0.7287(9) 0.5799(4) 0.052(3) Uani 1 1 d . . . . .
O4M O 0.5175(4) 0.9394(7) 0.6388(4) 0.042(2) Uani 1 1 d . . . . .
O5M O 0.6906(5) 0.7209(10) 0.8854(6) 0.033(3) Uani 0.694(10) 1 d . U P B 1
O5M' O 0.6951(11) 0.769(2) 0.8633(13) 0.025(4) Uani 0.306(10) 1 d . U P B 2
O6M O 0.6042(4) 0.7264(7) 0.9404(3) 0.040(2) Uani 1 1 d . . . . .
O1A O 0.1135(7) 1.0707(11) 0.7400(6) 0.042(3) Uani 0.613(10) 1 d D U P A 1
O2A O 0.0594(6) 0.9556(11) 0.6686(7) 0.045(3) Uani 0.613(10) 1 d D U P A 1
C1A C 0.1098(7) 0.9949(14) 0.7040(8) 0.038(3) Uani 0.613(10) 1 d D U P A 1
C2A C 0.1711(8) 0.9389(13) 0.7026(10) 0.040(3) Uani 0.613(10) 1 d D U P A 1
C3A C 0.2234(9) 0.9983(17) 0.7259(11) 0.038(3) Uani 0.613(10) 1 d D U P A 1
H3A H 0.220323 1.071245 0.736603 0.046 Uiso 0.613(10) 1 calc R U P A 1
C4A C 0.2828(10) 0.9538(12) 0.7347(17) 0.036(3) Uani 0.613(10) 1 d D U P A 1
H4A H 0.319079 0.998124 0.751090 0.043 Uiso 0.613(10) 1 calc R U P A 1
C5A C 0.1753(9) 0.8386(16) 0.6837(11) 0.043(3) Uani 0.613(10) 1 d D U P A 1
H5A H 0.138699 0.795940 0.665254 0.052 Uiso 0.613(10) 1 calc R U P A 1
C6A C 0.2360(7) 0.7985(16) 0.6922(10) 0.044(3) Uani 0.613(10) 1 d D U P A 1
H6A H 0.238668 0.729024 0.676441 0.052 Uiso 0.613(10) 1 calc R U P A 1
O1A' O 0.1497(10) 1.1190(18) 0.7675(11) 0.050(4) Uani 0.387(10) 1 d D U P A 2
O2A' O 0.0808(9) 1.0091(18) 0.6995(10) 0.039(3) Uani 0.387(10) 1 d D U P A 2
C1A' C 0.1344(11) 1.043(2) 0.7303(14) 0.042(3) Uani 0.387(10) 1 d D U P A 2
C2A' C 0.1880(12) 0.9701(19) 0.7243(16) 0.040(3) Uani 0.387(10) 1 d D U P A 2
C3A' C 0.2436(14) 1.019(3) 0.7366(18) 0.038(3) Uani 0.387(10) 1 d D U P A 2
H3A' H 0.248660 1.093677 0.746823 0.046 Uiso 0.387(10) 1 calc R U P A 2
C4A' C 0.2941(17) 0.9573(16) 0.734(3) 0.036(4) Uani 0.387(10) 1 d D U P A 2
H4A' H 0.333455 0.992292 0.741241 0.043 Uiso 0.387(10) 1 calc R U P A 2
C5A' C 0.1882(15) 0.864(2) 0.7144(17) 0.042(3) Uani 0.387(10) 1 d D U P A 2
H5A' H 0.149222 0.828809 0.708189 0.051 Uiso 0.387(10) 1 calc R U P A 2
C6A' C 0.2367(9) 0.796(2) 0.7115(16) 0.040(4) Uani 0.387(10) 1 d D U P A 2
H6A' H 0.232054 0.721269 0.703884 0.048 Uiso 0.387(10) 1 calc R U P A 2
N1A N 0.2907(4) 0.8512(7) 0.7210(4) 0.0349(19) Uani 1 1 d D U . . .
O1B O 0.4230(3) 0.9272(7) 0.8076(3) 0.0326(17) Uani 1 1 d . U . . .
O2B O 0.5237(4) 0.9384(7) 0.8679(4) 0.0400(19) Uani 1 1 d . U . . .
C1B C 0.4671(5) 0.9607(10) 0.8532(5) 0.033(2) Uani 1 1 d . U . . .
C2B C 0.4489(5) 1.0306(11) 0.8955(6) 0.043(2) Uani 1 1 d . U . . .
C3B C 0.3869(6) 1.0375(11) 0.8928(6) 0.045(3) Uani 1 1 d . U . . .
H3B H 0.354554 0.997399 0.863521 0.054 Uiso 1 1 calc R U . . .
C4B C 0.3730(6) 1.1040(12) 0.9336(7) 0.052(3) Uani 1 1 d . U . . .
H4B H 0.330346 1.110223 0.931059 0.062 Uiso 1 1 calc R U . . .
C5B C 0.4947(6) 1.0910(13) 0.9394(7) 0.057(3) Uani 1 1 d . U . . .
H5B H 0.537466 1.088648 0.941966 0.068 Uiso 1 1 calc R U . . .
C6B C 0.4776(6) 1.1540(14) 0.9788(8) 0.062(3) Uani 1 1 d . U . . .
H6B H 0.509084 1.194725 1.008606 0.075 Uiso 1 1 calc R U . . .
N1B N 0.4173(5) 1.1594(11) 0.9763(6) 0.056(3) Uani 1 1 d . U . . .
O1C O 0.5740(3) 0.4567(6) 0.7308(4) 0.0339(17) Uani 1 1 d . U . . .
O2C O 0.5658(4) 0.5772(7) 0.6570(3) 0.0359(18) Uani 1 1 d . U . . .
C1C C 0.5813(5) 0.4890(10) 0.6830(5) 0.039(2) Uani 1 1 d D U . . .
C2C C 0.6245(5) 0.4189(11) 0.6617(5) 0.046(3) Uani 0.694(10) 1 d D U P B 1
C3C C 0.6347(7) 0.3128(13) 0.6818(7) 0.048(3) Uani 0.694(10) 1 d D U P B 1
H3C H 0.615434 0.284213 0.708234 0.057 Uiso 0.694(10) 1 calc R U P B 1
C4C C 0.6742(7) 0.2503(15) 0.6618(7) 0.052(3) Uani 0.694(10) 1 d D U P B 1
H4C H 0.681419 0.177763 0.675092 0.062 Uiso 0.694(10) 1 calc R U P B 1
C5C C 0.6538(7) 0.4575(15) 0.6230(7) 0.051(3) Uani 0.694(10) 1 d D U P B 1
H5C H 0.647179 0.529718 0.608919 0.061 Uiso 0.694(10) 1 calc R U P B 1
C6C C 0.6928(7) 0.3898(13) 0.6050(8) 0.051(3) Uani 0.694(10) 1 d D U P B 1
H6C H 0.712620 0.416426 0.578606 0.061 Uiso 0.694(10) 1 calc R U P B 1
N1C N 0.7028(6) 0.2873(11) 0.6245(6) 0.051(3) Uani 0.694(10) 1 d D U P B 1
C2C' C 0.6026(7) 0.399(2) 0.6509(9) 0.049(3) Uani 0.306(10) 1 d D U P B 2
C3C' C 0.5967(14) 0.289(2) 0.6588(16) 0.051(4) Uani 0.306(10) 1 d D U P B 2
H3C' H 0.577945 0.264433 0.686542 0.061 Uiso 0.306(10) 1 calc R U P B 2
C4C' C 0.6183(15) 0.215(3) 0.6264(15) 0.054(4) Uani 0.306(10) 1 d D U P B 2
H4C' H 0.613600 0.140986 0.632812 0.064 Uiso 0.306(10) 1 calc R U P B 2
C5C' C 0.6306(14) 0.430(3) 0.6097(14) 0.051(4) Uani 0.306(10) 1 d D U P B 2
H5C' H 0.635763 0.503994 0.602464 0.061 Uiso 0.306(10) 1 calc R U P B 2
C6C' C 0.6508(17) 0.351(3) 0.5792(18) 0.055(4) Uani 0.306(10) 1 d D U P B 2
H6C' H 0.669759 0.373405 0.551273 0.066 Uiso 0.306(10) 1 calc R U P B 2
N1C' N 0.6455(13) 0.244(3) 0.5864(14) 0.057(4) Uani 0.306(10) 1 d D U P B 2
O1D O 0.6356(3) 0.8313(6) 0.7234(3) 0.0282(16) Uani 1 1 d D U . . .
O2D O 0.6399(6) 0.9356(10) 0.8013(5) 0.036(3) Uani 0.694(10) 1 d D U P B 1
O2D' O 0.6215(15) 0.9472(13) 0.7895(10) 0.034(4) Uani 0.306(10) 1 d D U P B 2
C1D C 0.6545(5) 0.9132(9) 0.7572(5) 0.0281(19) Uani 1 1 d . U . . .
C2D C 0.7040(5) 0.9799(8) 0.7465(5) 0.0259(19) Uani 1 1 d . U . . .
C3D C 0.7262(5) 0.9540(9) 0.7000(5) 0.027(2) Uani 1 1 d . U . . .
H3D H 0.708831 0.894920 0.673892 0.032 Uiso 1 1 calc R U . . .
C4D C 0.7731(6) 1.0147(10) 0.6927(6) 0.038(2) Uani 1 1 d . U . . .
H4D H 0.789323 0.994419 0.662315 0.046 Uiso 1 1 calc R U . . .
C5D C 0.7308(6) 1.0677(10) 0.7840(6) 0.042(2) Uani 1 1 d . U . . .
H5D H 0.717601 1.086738 0.816528 0.051 Uiso 1 1 calc R U . . .
C6D C 0.7759(7) 1.1242(11) 0.7725(7) 0.055(3) Uani 1 1 d . U . . .
H6D H 0.794127 1.183819 0.797976 0.066 Uiso 1 1 calc R U . . .
N1D N 0.7970(6) 1.1009(9) 0.7263(6) 0.052(2) Uani 1 1 d . U . . .
O1W O 0.4877(5) 1.0777(8) 0.7195(4) 0.059(3) Uani 1 1 d . . . . .
O2W O 0.5802(6) 1.1429(12) 0.8271(6) 0.043(4) Uani 0.6 1 d . . P . .
O3W O 0.5103(9) 0.5974(15) 0.9505(8) 0.046(4) Uani 0.5 1 d . U P . .
O4W O 0.7397(11) 0.7365(19) 1.0329(11) 0.061(6) Uani 0.5 1 d . U P C 1
O5W O 0.7398(14) 0.722(2) 0.9969(15) 0.084(8) Uani 0.5 1 d . U P D 2
O6W O 0.3390(9) 0.6370(16) 0.5834(10) 0.026(5) Uani 0.387(10) 1 d . U P A 2
O6W' O 0.3291(16) 0.659(3) 0.5534(17) 0.034(8) Uani 0.25 1 d . U P E 3
O7W O 0.0115(12) 0.889(2) 0.5694(11) 0.054(6) Uani 0.4 1 d . U P . .
O8W O 0.5375(16) 0.260(3) 0.5304(15) 0.042(8) Uani 0.25 1 d . U P . .
O9W O 0.4914(16) 0.446(3) 0.5493(16) 0.047(9) Uani 0.25 1 d . U P F 1
O9W' O 0.484(2) 0.542(4) 0.536(2) 0.082(14) Uani 0.25 1 d . U P G 2
O10W O 0.553(2) 0.067(4) 0.4878(19) 0.064(11) Uani 0.25 1 d . U P H 1
O11W O 0.549(2) 0.022(4) 0.543(2) 0.067(12) Uani 0.25 1 d . U P I 2


_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
Re1 Re2 2.5898(5) . ?
Re1 Re4 2.5947(5) . ?
Re1 Re5 2.6114(5) . ?
Re1 Re6 2.6050(5) . ?
Re1 S1 2.405(2) . ?
Re1 S4 2.405(2) . ?
Re1 S5 2.402(2) . ?
Re1 S8 2.409(2) . ?
Re1 C1 2.119(10) . ?
Re2 Re3 2.5981(5) . ?
Re2 Re5 2.5903(5) . ?
Re2 Re6 2.5963(5) . ?
Re2 S1 2.404(2) . ?
Re2 S2 2.399(2) . ?
Re2 S5 2.395(2) . ?
Re2 S6 2.398(2) . ?
Re2 C2 2.103(9) . ?
Re3 Re4 2.6033(5) . ?
Re3 Re5 2.6074(5) . ?
Re3 Re6 2.6012(5) . ?
Re3 S2 2.401(2) . ?
Re3 S3 2.409(2) . ?
Re3 S6 2.405(2) . ?
Re3 S7 2.403(2) . ?
Re3 C3 2.143(10) . ?
Re4 Re5 2.6035(5) . ?
Re4 Re6 2.5988(5) . ?
Re4 S3 2.404(2) . ?
Re4 S4 2.409(2) . ?
Re4 S7 2.399(2) . ?
Re4 S8 2.404(2) . ?
Re4 C4 2.109(9) . ?
Re5 S1 2.402(2) . ?
Re5 S2 2.405(2) . ?
Re5 S3 2.401(2) . ?
Re5 S4 2.410(2) . ?
Re5 C5 2.138(10) . ?
Re6 S5 2.404(2) . ?
Re6 S6 2.403(2) . ?
Re6 S7 2.399(2) . ?
Re6 S8 2.405(2) . ?
Re6 C6 2.130(11) . ?
C1 N1 1.155(12) . ?
N1 Gd1 2.509(7) . ?
C2 N2 1.150(12) . ?
N2 Gd2 2.478(8) 1_565 ?
C3 N3 1.139(12) . ?
N3 Gd4 2.635(7) 4_585 ?
C4 N4 1.163(12) . ?
N4 Gd2 2.478(7) 4_575 ?
C5 N5 1.144(13) . ?
N5 Gd3 2.589(8) 3_676 ?
C6 N6 1.143(13) . ?
N6 Gd1 2.566(8) 2_556 ?
Gd1 Gd2 3.6853(6) . ?
Gd1 Gd3 3.9050(6) . ?
Gd1 O1 2.374(6) . ?
Gd1 O2 2.389(6) . ?
Gd1 O3 2.433(6) . ?
Gd1 O1M 2.623(15) . ?
Gd1 O1A 2.558(13) 2_546 ?
Gd1 O1A' 2.23(2) 2_546 ?
Gd1 N1A 2.667(9) . ?
Gd1 O1B 2.349(8) . ?
Gd2 O1 2.392(6) . ?
Gd2 O2 2.397(6) . ?
Gd2 O4 2.365(6) . ?
Gd2 O2M 2.525(9) . ?
Gd2 O1A 2.746(14) 2_546 ?
Gd2 O2A 2.545(14) 2_546 ?
Gd2 C1A 2.959(17) 2_546 ?
Gd2 O2A' 2.34(2) 2_546 ?
Gd2 O1C 2.325(7) . ?
Gd3 Gd4 3.7757(6) . ?
Gd3 O1 2.350(6) . ?
Gd3 O3 2.367(6) . ?
Gd3 O4 2.423(6) . ?
Gd3 O3M 2.428(8) . ?
Gd3 O4M 2.455(8) . ?
Gd3 O2C 2.381(8) . ?
Gd3 O1D 2.323(7) . ?
Gd4 O2 2.430(6) . ?
Gd4 O3 2.422(7) . ?
Gd4 O4 2.336(6) . ?
Gd4 O5M 2.468(12) . ?
Gd4 O5M' 2.39(2) . ?
Gd4 O6M 2.400(8) . ?
Gd4 O2B 2.339(7) . ?
Gd4 O2D 2.404(10) . ?
Gd4 O2D' 2.432(17) . ?
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.252(10) . ?
O2A C1A 1.249(10) . ?
C1A C2A 1.57(2) . ?
C2A C3A 1.338(16) . ?
C2A C5A 1.340(16) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.401(14) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.344(12) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.409(14) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.352(12) . ?
O1A' C1A' 1.248(11) . ?
O2A' C1A' 1.249(11) . ?
C1A' C2A' 1.56(2) . ?
C2A' C3A' 1.338(17) . ?
C2A' C5A' 1.339(17) . ?
C3A' H3A' 0.9500 . ?
C3A' C4A' 1.405(15) . ?
C4A' H4A' 0.9500 . ?
C4A' N1A 1.348(13) . ?
C5A' H5A' 0.9500 . ?
C5A' C6A' 1.405(15) . ?
C6A' H6A' 0.9500 . ?
C6A' N1A 1.347(13) . ?
O1B C1B 1.250(13) . ?
O2B C1B 1.236(13) . ?
C1B C2B 1.489(15) . ?
C2B C3B 1.386(16) . ?
C2B C5B 1.396(17) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.390(17) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.332(16) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.373(18) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.351(16) . ?
O1C C1C 1.262(14) . ?
O2C C1C 1.244(15) . ?
C1C C2C 1.524(17) . ?
C1C C2C' 1.523(19) . ?
C2C C3C 1.392(14) . ?
C2C C5C 1.393(14) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.389(16) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.347(16) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.392(16) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.346(15) . ?
C2C' C3C' 1.392(16) . ?
C2C' C5C' 1.392(15) . ?
C3C' H3C' 0.9500 . ?
C3C' C4C' 1.389(17) . ?
C4C' H4C' 0.9500 . ?
C4C' N1C' 1.347(17) . ?
C5C' H5C' 0.9500 . ?
C5C' C6C' 1.390(17) . ?
C6C' H6C' 0.9500 . ?
C6C' N1C' 1.347(17) . ?
O1D C1D 1.270(13) . ?
O2D C1D 1.232(13) . ?
O2D' C1D 1.314(19) . ?
C1D C2D 1.487(13) . ?
C2D C3D 1.397(14) . ?
C2D C5D 1.399(15) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.364(15) . ?
C4D H4D 0.9500 . ?
C4D N1D 1.328(15) . ?
C5D H5D 0.9500 . ?
C5D C6D 1.344(16) . ?
C6D H6D 0.9500 . ?
C6D N1D 1.371(16) . ?

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
Re2 Re1 Re4 89.787(15) . . ?
Re2 Re1 Re5 59.737(13) . . ?
Re2 Re1 Re6 59.973(13) . . ?
Re4 Re1 Re5 60.011(13) . . ?
Re4 Re1 Re6 59.974(13) . . ?
Re6 Re1 Re5 89.949(15) . . ?
S1 Re1 Re2 57.40(5) . . ?
S1 Re1 Re4 117.02(5) . . ?
S1 Re1 Re5 57.04(5) . . ?
S1 Re1 Re6 117.33(6) . . ?
S1 Re1 S4 89.31(8) . . ?
S1 Re1 S8 173.15(8) . . ?
S4 Re1 Re2 116.95(6) . . ?
S4 Re1 Re4 57.46(5) . . ?
S4 Re1 Re5 57.24(6) . . ?
S4 Re1 Re6 117.39(5) . . ?
S4 Re1 S8 90.12(8) . . ?
S5 Re1 Re2 57.21(6) . . ?
S5 Re1 Re4 117.13(5) . . ?
S5 Re1 Re5 116.91(6) . . ?
S5 Re1 Re6 57.21(5) . . ?
S5 Re1 S1 89.90(8) . . ?
S5 Re1 S4 173.10(8) . . ?
S5 Re1 S8 89.85(8) . . ?
S8 Re1 Re2 117.10(6) . . ?
S8 Re1 Re4 57.29(5) . . ?
S8 Re1 Re5 117.26(5) . . ?
S8 Re1 Re6 57.18(6) . . ?
C1 Re1 Re2 133.6(2) . . ?
C1 Re1 Re4 136.5(2) . . ?
C1 Re1 Re5 137.6(2) . . ?
C1 Re1 Re6 132.4(2) . . ?
C1 Re1 S1 94.2(2) . . ?
C1 Re1 S4 96.2(2) . . ?
C1 Re1 S5 90.7(2) . . ?
C1 Re1 S8 92.7(2) . . ?
Re1 Re2 Re3 90.509(15) . . ?
Re1 Re2 Re5 60.547(13) . . ?
Re1 Re2 Re6 60.303(13) . . ?
Re5 Re2 Re3 60.335(13) . . ?
Re5 Re2 Re6 90.606(15) . . ?
Re6 Re2 Re3 60.102(13) . . ?
S1 Re2 Re1 57.44(5) . . ?
S1 Re2 Re3 117.65(5) . . ?
S1 Re2 Re5 57.35(5) . . ?
S1 Re2 Re6 117.70(6) . . ?
S2 Re2 Re1 117.98(6) . . ?
S2 Re2 Re3 57.28(5) . . ?
S2 Re2 Re5 57.48(6) . . ?
S2 Re2 Re6 117.36(5) . . ?
S2 Re2 S1 90.18(8) . . ?
S5 Re2 Re1 57.44(6) . . ?
S5 Re2 Re3 117.48(5) . . ?
S5 Re2 Re5 117.95(6) . . ?
S5 Re2 Re6 57.40(5) . . ?
S5 Re2 S1 90.07(8) . . ?
S5 Re2 S2 173.94(8) . . ?
S5 Re2 S6 89.62(8) . . ?
S6 Re2 Re1 117.63(6) . . ?
S6 Re2 Re3 57.40(5) . . ?
S6 Re2 Re5 117.71(5) . . ?
S6 Re2 Re6 57.36(5) . . ?
S6 Re2 S1 173.93(8) . . ?
S6 Re2 S2 89.49(8) . . ?
C2 Re2 Re1 133.4(2) . . ?
C2 Re2 Re3 136.1(2) . . ?
C2 Re2 Re5 135.1(2) . . ?
C2 Re2 Re6 134.2(2) . . ?
C2 Re2 S1 92.5(2) . . ?
C2 Re2 S2 94.3(3) . . ?
C2 Re2 S5 91.7(3) . . ?
C2 Re2 S6 93.5(2) . . ?
Re2 Re3 Re4 89.418(15) . . ?
Re2 Re3 Re5 59.685(13) . . ?
Re2 Re3 Re6 59.916(13) . . ?
Re4 Re3 Re5 59.955(13) . . ?
Re6 Re3 Re4 59.914(13) . . ?
Re6 Re3 Re5 90.121(15) . . ?
S2 Re3 Re2 57.19(5) . . ?
S2 Re3 Re4 117.12(6) . . ?
S2 Re3 Re5 57.22(6) . . ?
S2 Re3 Re6 117.09(5) . . ?
S2 Re3 S3 89.91(8) . . ?
S2 Re3 S6 89.25(8) . . ?
S2 Re3 S7 172.91(8) . . ?
S3 Re3 Re2 116.65(5) . . ?
S3 Re3 Re4 57.17(6) . . ?
S3 Re3 Re5 57.02(5) . . ?
S3 Re3 Re6 117.05(6) . . ?
S6 Re3 Re2 57.11(5) . . ?
S6 Re3 Re4 117.04(6) . . ?
S6 Re3 Re5 116.77(5) . . ?
S6 Re3 Re6 57.20(6) . . ?
S6 Re3 S3 172.65(8) . . ?
S7 Re3 Re2 116.97(5) . . ?
S7 Re3 Re4 57.10(6) . . ?
S7 Re3 Re5 117.02(6) . . ?
S7 Re3 Re6 57.12(5) . . ?
S7 Re3 S3 89.66(8) . . ?
S7 Re3 S6 90.27(8) . . ?
C3 Re3 Re2 135.2(3) . . ?
C3 Re3 Re4 135.4(3) . . ?
C3 Re3 Re5 135.9(2) . . ?
C3 Re3 Re6 133.9(2) . . ?
C3 Re3 S2 94.1(2) . . ?
C3 Re3 S3 94.5(3) . . ?
C3 Re3 S6 92.9(3) . . ?
C3 Re3 S7 93.0(2) . . ?
Re1 Re4 Re3 90.285(15) . . ?
Re1 Re4 Re5 60.314(13) . . ?
Re1 Re4 Re6 60.209(13) . . ?
Re3 Re4 Re5 60.101(13) . . ?
Re6 Re4 Re3 60.004(13) . . ?
Re6 Re4 Re5 90.258(15) . . ?
S3 Re4 Re1 117.40(5) . . ?
S3 Re4 Re3 57.34(6) . . ?
S3 Re4 Re5 57.12(5) . . ?
S3 Re4 Re6 117.31(6) . . ?
S3 Re4 S4 89.70(8) . . ?
S3 Re4 S8 173.55(8) . . ?
S4 Re4 Re1 57.32(5) . . ?
S4 Re4 Re3 117.38(6) . . ?
S4 Re4 Re5 57.31(6) . . ?
S4 Re4 Re6 117.48(5) . . ?
S7 Re4 Re1 117.38(5) . . ?
S7 Re4 Re3 57.24(5) . . ?
S7 Re4 Re5 117.31(6) . . ?
S7 Re4 Re6 57.20(5) . . ?
S7 Re4 S3 89.87(8) . . ?
S7 Re4 S4 173.44(8) . . ?
S7 Re4 S8 89.56(8) . . ?
S8 Re4 Re1 57.47(5) . . ?
S8 Re4 Re3 117.29(6) . . ?
S8 Re4 Re5 117.74(5) . . ?
S8 Re4 Re6 57.32(5) . . ?
S8 Re4 S4 90.14(8) . . ?
C4 Re4 Re1 135.6(2) . . ?
C4 Re4 Re3 134.1(2) . . ?
C4 Re4 Re5 135.4(2) . . ?
C4 Re4 Re6 134.3(2) . . ?
C4 Re4 S3 93.1(2) . . ?
C4 Re4 S4 94.2(3) . . ?
C4 Re4 S7 92.3(3) . . ?
C4 Re4 S8 93.3(2) . . ?
Re2 Re5 Re1 59.716(13) . . ?
Re2 Re5 Re3 59.979(13) . . ?
Re2 Re5 Re4 89.581(15) . . ?
Re3 Re5 Re1 89.826(15) . . ?
Re4 Re5 Re1 59.676(13) . . ?
Re4 Re5 Re3 59.945(13) . . ?
S1 Re5 Re1 57.15(5) . . ?
S1 Re5 Re2 57.42(5) . . ?
S1 Re5 Re3 117.36(5) . . ?
S1 Re5 Re4 116.80(5) . . ?
S1 Re5 S2 90.09(8) . . ?
S1 Re5 S4 89.27(8) . . ?
S2 Re5 Re1 116.93(6) . . ?
S2 Re5 Re2 57.26(5) . . ?
S2 Re5 Re3 57.08(5) . . ?
S2 Re5 Re4 116.97(5) . . ?
S2 Re5 S4 172.83(8) . . ?
S3 Re5 Re1 116.90(6) . . ?
S3 Re5 Re2 117.24(6) . . ?
S3 Re5 Re3 57.32(6) . . ?
S3 Re5 Re4 57.26(6) . . ?
S3 Re5 S1 173.09(8) . . ?
S3 Re5 S2 90.02(8) . . ?
S3 Re5 S4 89.77(8) . . ?
S4 Re5 Re1 57.07(5) . . ?
S4 Re5 Re2 116.76(5) . . ?
S4 Re5 Re3 117.19(5) . . ?
S4 Re5 Re4 57.28(5) . . ?
C5 Re5 Re1 136.5(3) . . ?
C5 Re5 Re2 132.3(3) . . ?
C5 Re5 Re3 133.5(3) . . ?
C5 Re5 Re4 138.1(3) . . ?
C5 Re5 S1 92.4(2) . . ?
C5 Re5 S2 90.6(3) . . ?
C5 Re5 S3 94.5(2) . . ?
C5 Re5 S4 96.6(3) . . ?
Re2 Re6 Re1 59.723(13) . . ?
Re2 Re6 Re3 59.982(13) . . ?
Re2 Re6 Re4 89.552(15) . . ?
Re3 Re6 Re1 90.104(15) . . ?
Re4 Re6 Re1 59.817(13) . . ?
Re4 Re6 Re3 60.082(13) . . ?
S5 Re6 Re1 57.13(5) . . ?
S5 Re6 Re2 57.09(5) . . ?
S5 Re6 Re3 117.05(6) . . ?
S5 Re6 Re4 116.90(6) . . ?
S5 Re6 S8 89.89(8) . . ?
S6 Re6 Re1 116.86(5) . . ?
S6 Re6 Re2 57.16(5) . . ?
S6 Re6 Re3 57.30(5) . . ?
S6 Re6 Re4 117.31(6) . . ?
S6 Re6 S5 89.30(8) . . ?
S6 Re6 S8 173.11(8) . . ?
S7 Re6 Re1 116.99(6) . . ?
S7 Re6 Re2 117.19(6) . . ?
S7 Re6 Re3 57.27(5) . . ?
S7 Re6 Re4 57.20(6) . . ?
S7 Re6 S5 172.91(8) . . ?
S7 Re6 S6 90.43(8) . . ?
S7 Re6 S8 89.53(8) . . ?
S8 Re6 Re1 57.31(5) . . ?
S8 Re6 Re2 116.99(5) . . ?
S8 Re6 Re3 117.33(5) . . ?
S8 Re6 Re4 57.27(5) . . ?
C6 Re6 Re1 136.4(3) . . ?
C6 Re6 Re2 135.1(3) . . ?
C6 Re6 Re3 133.5(3) . . ?
C6 Re6 Re4 135.4(3) . . ?
C6 Re6 S5 94.4(3) . . ?
C6 Re6 S6 92.4(3) . . ?
C6 Re6 S7 92.7(3) . . ?
C6 Re6 S8 94.5(3) . . ?
Re2 S1 Re1 65.16(6) . . ?
Re5 S1 Re1 65.81(5) . . ?
Re5 S1 Re2 65.22(5) . . ?
Re2 S2 Re3 65.53(6) . . ?
Re2 S2 Re5 65.25(6) . . ?
Re3 S2 Re5 65.70(6) . . ?
Re4 S3 Re3 65.49(6) . . ?
Re5 S3 Re3 65.66(6) . . ?
Re5 S3 Re4 65.62(6) . . ?
Re1 S4 Re4 65.22(6) . . ?
Re1 S4 Re5 65.68(6) . . ?
Re4 S4 Re5 65.40(6) . . ?
Re1 S5 Re6 65.66(5) . . ?
Re2 S5 Re1 65.35(6) . . ?
Re2 S5 Re6 65.51(6) . . ?
Re2 S6 Re3 65.50(6) . . ?
Re2 S6 Re6 65.49(6) . . ?
Re6 S6 Re3 65.50(6) . . ?
Re4 S7 Re3 65.66(6) . . ?
Re6 S7 Re3 65.60(5) . . ?
Re6 S7 Re4 65.60(6) . . ?
Re4 S8 Re1 65.24(6) . . ?
Re4 S8 Re6 65.41(6) . . ?
Re6 S8 Re1 65.51(6) . . ?
N1 C1 Re1 173.5(8) . . ?
C1 N1 Gd1 155.9(7) . . ?
N2 C2 Re2 176.7(8) . . ?
C2 N2 Gd2 173.5(8) . 1_565 ?
N3 C3 Re3 178.2(8) . . ?
C3 N3 Gd4 163.1(8) . 4_585 ?
N4 C4 Re4 175.9(8) . . ?
C4 N4 Gd2 156.6(8) . 4_575 ?
N5 C5 Re5 176.5(9) . . ?
C5 N5 Gd3 169.9(8) . 3_676 ?
N6 C6 Re6 176.6(9) . . ?
C6 N6 Gd1 167.7(8) . 2_556 ?
N1 Gd1 N6 137.6(3) . 2_546 ?
N1 Gd1 Gd2 124.35(18) . . ?
N1 Gd1 Gd3 69.13(17) . . ?
N1 Gd1 O1M 70.5(4) . . ?
N1 Gd1 O1A 129.1(4) . 2_546 ?
N1 Gd1 N1A 69.6(3) . . ?
N6 Gd1 Gd2 96.2(2) 2_546 . ?
N6 Gd1 Gd3 152.72(19) 2_546 . ?
N6 Gd1 O1M 101.0(4) 2_546 . ?
N6 Gd1 N1A 68.8(3) 2_546 . ?
Gd2 Gd1 Gd3 60.517(12) . . ?
O1 Gd1 N1 85.1(2) . . ?
O1 Gd1 N6 132.4(3) . 2_546 ?
O1 Gd1 Gd2 39.52(15) . . ?
O1 Gd1 Gd3 34.06(15) . . ?
O1 Gd1 O2 73.9(2) . . ?
O1 Gd1 O3 67.1(2) . . ?
O1 Gd1 O1M 70.1(4) . . ?
O1 Gd1 O1A 67.7(3) . 2_546 ?
O1 Gd1 N1A 136.5(2) . . ?
O2 Gd1 N1 142.6(2) . . ?
O2 Gd1 N6 76.4(2) . 2_546 ?
O2 Gd1 Gd2 39.72(14) . . ?
O2 Gd1 Gd3 76.40(14) . . ?
O2 Gd1 O3 69.3(2) . . ?
O2 Gd1 O1M 126.9(4) . . ?
O2 Gd1 O1A 70.7(4) . 2_546 ?
O2 Gd1 N1A 144.6(2) . . ?
O3 Gd1 N1 74.1(2) . . ?
O3 Gd1 N6 132.4(3) . 2_546 ?
O3 Gd1 Gd2 77.81(15) . . ?
O3 Gd1 Gd3 35.01(15) . . ?
O3 Gd1 O1M 125.8(4) . . ?
O3 Gd1 O1A 125.8(4) . 2_546 ?
O3 Gd1 N1A 132.4(2) . . ?
O1M Gd1 Gd2 89.7(3) . . ?
O1M Gd1 Gd3 93.3(3) . . ?
O1M Gd1 N1A 68.2(4) . . ?
O1A Gd1 N6 67.8(4) 2_546 2_546 ?
O1A Gd1 Gd2 48.1(3) 2_546 . ?
O1A Gd1 Gd3 100.7(3) 2_546 . ?
O1A Gd1 O1M 60.2(5) 2_546 . ?
O1A Gd1 N1A 101.2(4) 2_546 . ?
O1A' Gd1 N1 111.2(6) 2_546 . ?
O1A' Gd1 Gd2 69.7(6) 2_546 . ?
O1A' Gd1 Gd3 111.0(6) 2_546 . ?
O1A' Gd1 O1 77.3(6) 2_546 . ?
O1A' Gd1 O2 94.2(6) 2_546 . ?
O1A' Gd1 O3 143.6(6) 2_546 . ?
O1A' Gd1 N1A 79.7(6) 2_546 . ?
O1A' Gd1 O1B 139.4(7) 2_546 . ?
N1A Gd1 Gd2 149.19(18) . . ?
N1A Gd1 Gd3 138.44(19) . . ?
O1B Gd1 N1 90.6(3) . . ?
O1B Gd1 N6 72.1(3) . 2_546 ?
O1B Gd1 Gd2 125.88(18) . . ?
O1B Gd1 Gd3 108.65(18) . . ?
O1B Gd1 O1 140.6(2) . . ?
O1B Gd1 O2 86.9(2) . . ?
O1B Gd1 O3 74.0(2) . . ?
O1B Gd1 O1M 143.9(4) . . ?
O1B Gd1 O1A 137.5(4) . 2_546 ?
O1B Gd1 N1A 76.5(3) . . ?
N2 Gd2 N4 141.6(3) 1_545 4_676 ?
N2 Gd2 Gd1 92.53(18) 1_545 . ?
N2 Gd2 O2M 72.3(3) 1_545 . ?
N2 Gd2 O1A 66.4(4) 1_545 2_546 ?
N2 Gd2 O2A 81.6(4) 1_545 2_546 ?
N2 Gd2 C1A 69.4(4) 1_545 2_546 ?
N4 Gd2 Gd1 122.9(2) 4_676 . ?
N4 Gd2 O2M 70.2(3) 4_676 . ?
N4 Gd2 O1A 128.3(3) 4_676 2_546 ?
N4 Gd2 O2A 86.4(4) 4_676 2_546 ?
N4 Gd2 C1A 109.4(4) 4_676 2_546 ?
O1 Gd2 N2 71.0(2) . 1_545 ?
O1 Gd2 N4 146.0(2) . 4_676 ?
O1 Gd2 Gd1 39.18(15) . . ?
O1 Gd2 O2 73.4(2) . . ?
O1 Gd2 O2M 143.3(3) . . ?
O1 Gd2 O1A 64.3(3) . 2_546 ?
O1 Gd2 O2A 113.7(3) . 2_546 ?
O1 Gd2 C1A 89.1(3) . 2_546 ?
O2 Gd2 N2 130.2(2) . 1_545 ?
O2 Gd2 N4 83.3(2) . 4_676 ?
O2 Gd2 Gd1 39.57(14) . . ?
O2 Gd2 O2M 133.0(3) . . ?
O2 Gd2 O1A 67.3(3) . 2_546 ?
O2 Gd2 O2A 82.0(4) . 2_546 ?
O2 Gd2 C1A 76.4(4) . 2_546 ?
O4 Gd2 N2 126.5(2) . 1_545 ?
O4 Gd2 N4 78.6(2) . 4_676 ?
O4 Gd2 Gd1 79.49(15) . . ?
O4 Gd2 O1 70.2(2) . . ?
O4 Gd2 O2 68.8(2) . . ?
O4 Gd2 O2M 136.9(3) . . ?
O4 Gd2 O1A 123.4(3) . 2_546 ?
O4 Gd2 O2A 148.4(4) . 2_546 ?
O4 Gd2 C1A 143.3(4) . 2_546 ?
O2M Gd2 Gd1 142.8(3) . . ?
O2M Gd2 O1A 99.4(4) . 2_546 ?
O2M Gd2 O2A 58.9(4) . 2_546 ?
O2M Gd2 C1A 76.9(4) . 2_546 ?
O1A Gd2 Gd1 43.9(3) 2_546 . ?
O1A Gd2 C1A 24.99(18) 2_546 2_546 ?
O2A Gd2 Gd1 85.8(3) 2_546 . ?
O2A Gd2 O1A 49.4(3) 2_546 2_546 ?
O2A Gd2 C1A 24.8(2) 2_546 2_546 ?
C1A Gd2 Gd1 65.9(3) 2_546 . ?
O2A' Gd2 Gd1 65.5(5) 2_546 . ?
O2A' Gd2 O1 91.2(6) 2_546 . ?
O2A' Gd2 O2 73.0(6) 2_546 . ?
O2A' Gd2 O4 140.9(6) 2_546 . ?
O2A' Gd2 O2M 77.6(6) 2_546 . ?
O1C Gd2 N2 73.8(3) . 1_545 ?
O1C Gd2 N4 88.5(3) . 4_676 ?
O1C Gd2 Gd1 134.1(2) . . ?
O1C Gd2 O1 95.8(3) . . ?
O1C Gd2 O2 143.9(2) . . ?
O1C Gd2 O4 75.0(2) . . ?
O1C Gd2 O2M 75.2(4) . . ?
O1C Gd2 O1A 139.4(4) . 2_546 ?
O1C Gd2 O2A 132.7(4) . 2_546 ?
O1C Gd2 C1A 138.9(4) . 2_546 ?
O1C Gd2 O2A' 142.7(6) . 2_546 ?
N5 Gd3 Gd1 158.6(2) 3_676 . ?
N5 Gd3 Gd2 139.1(2) 3_676 . ?
N5 Gd3 Gd4 134.6(2) 3_676 . ?
Gd2 Gd3 Gd1 56.901(11) . . ?
Gd4 Gd3 Gd1 61.534(12) . . ?
Gd4 Gd3 Gd2 61.395(12) . . ?
O1 Gd3 N5 144.2(3) . 3_676 ?
O1 Gd3 Gd1 34.46(15) . . ?
O1 Gd3 Gd2 36.51(15) . . ?
O1 Gd3 Gd4 79.24(15) . . ?
O1 Gd3 O3 68.6(2) . . ?
O1 Gd3 O4 69.9(2) . . ?
O1 Gd3 O3M 75.0(3) . . ?
O1 Gd3 O4M 120.4(2) . . ?
O1 Gd3 O2C 82.1(3) . . ?
O3 Gd3 N5 143.4(3) . 3_676 ?
O3 Gd3 Gd1 36.14(16) . . ?
O3 Gd3 Gd2 75.46(16) . . ?
O3 Gd3 Gd4 38.48(16) . . ?
O3 Gd3 O4 69.9(2) . . ?
O3 Gd3 O3M 112.5(3) . . ?
O3 Gd3 O4M 74.2(2) . . ?
O3 Gd3 O2C 140.3(3) . . ?
O4 Gd3 N5 127.1(2) . 3_676 ?
O4 Gd3 Gd1 74.29(14) . . ?
O4 Gd3 Gd2 36.37(15) . . ?
O4 Gd3 Gd4 36.69(15) . . ?
O4 Gd3 O3M 140.9(3) . . ?
O4 Gd3 O4M 134.7(3) . . ?
O3M Gd3 N5 75.7(3) . 3_676 ?
O3M Gd3 Gd1 86.5(2) . . ?
O3M Gd3 Gd2 104.8(2) . . ?
O3M Gd3 Gd4 147.9(2) . . ?
O3M Gd3 O4M 78.6(3) . . ?
O4M Gd3 N5 72.7(3) . 3_676 ?
O4M Gd3 Gd1 92.33(19) . . ?
O4M Gd3 Gd2 148.21(18) . . ?
O4M Gd3 Gd4 98.8(2) . . ?
O2C Gd3 N5 74.4(3) . 3_676 ?
O2C Gd3 Gd1 115.8(2) . . ?
O2C Gd3 Gd2 65.1(2) . . ?
O2C Gd3 Gd4 111.81(19) . . ?
O2C Gd3 O4 75.3(2) . . ?
O2C Gd3 O3M 83.4(3) . . ?
O2C Gd3 O4M 145.5(3) . . ?
O1D Gd3 N5 71.7(3) . 3_676 ?
O1D Gd3 Gd1 121.26(18) . . ?
O1D Gd3 Gd2 109.11(19) . . ?
O1D Gd3 Gd4 62.92(18) . . ?
O1D Gd3 O1 140.5(2) . . ?
O1D Gd3 O3 86.7(2) . . ?
O1D Gd3 O4 72.9(2) . . ?
O1D Gd3 O3M 144.4(3) . . ?
O1D Gd3 O4M 78.5(3) . . ?
O1D Gd3 O2C 101.0(3) . . ?
N3 Gd4 Gd2 156.46(18) 4_686 . ?
N3 Gd4 Gd3 139.50(18) 4_686 . ?
Gd3 Gd4 Gd2 59.985(11) . . ?
O2 Gd4 N3 139.6(2) . 4_686 ?
O2 Gd4 Gd2 36.16(14) . . ?
O2 Gd4 Gd3 78.71(14) . . ?
O2 Gd4 O5M 116.3(3) . . ?
O2 Gd4 O2D' 138.1(7) . . ?
O3 Gd4 N3 129.3(2) . 4_686 ?
O3 Gd4 Gd2 73.87(16) . . ?
O3 Gd4 Gd3 37.46(15) . . ?
O3 Gd4 O2 68.8(2) . . ?
O3 Gd4 O5M 139.9(3) . . ?
O3 Gd4 O2D' 69.4(8) . . ?
O4 Gd4 N3 146.4(2) . 4_686 ?
O4 Gd4 Gd2 34.55(15) . . ?
O4 Gd4 Gd3 38.31(15) . . ?
O4 Gd4 O2 68.7(2) . . ?
O4 Gd4 O3 70.4(2) . . ?
O4 Gd4 O5M 75.0(3) . . ?
O4 Gd4 O5M' 76.1(6) . . ?
O4 Gd4 O6M 106.8(2) . . ?
O4 Gd4 O2B 142.1(2) . . ?
O4 Gd4 O2D 95.2(3) . . ?
O4 Gd4 O2D' 95.2(3) . . ?
O5M Gd4 N3 74.7(3) . 4_686 ?
O5M Gd4 Gd2 89.0(3) . . ?
O5M Gd4 Gd3 102.6(3) . . ?
O5M' Gd4 Gd2 99.3(6) . . ?
O5M' Gd4 Gd3 93.6(7) . . ?
O5M' Gd4 O2 131.9(7) . . ?
O5M' Gd4 O3 127.8(7) . . ?
O5M' Gd4 O6M 85.2(7) . . ?
O5M' Gd4 O2D' 75.2(10) . . ?
O6M Gd4 N3 74.4(3) . 4_686 ?
O6M Gd4 Gd2 83.8(2) . . ?
O6M Gd4 Gd3 143.1(2) . . ?
O6M Gd4 O2 75.1(3) . . ?
O6M Gd4 O3 142.1(3) . . ?
O6M Gd4 O5M 67.6(4) . . ?
O6M Gd4 O2D 137.8(4) . . ?
O6M Gd4 O2D' 146.1(7) . . ?
O2B Gd4 N3 70.5(3) . 4_686 ?
O2B Gd4 Gd2 118.5(2) . . ?
O2B Gd4 Gd3 113.5(2) . . ?
O2B Gd4 O2 82.9(3) . . ?
O2B Gd4 O3 76.3(3) . . ?
O2B Gd4 O5M 142.1(3) . . ?
O2B Gd4 O5M' 140.8(7) . . ?
O2B Gd4 O6M 88.6(3) . . ?
O2B Gd4 O2D 95.7(4) . . ?
O2B Gd4 O2D' 89.5(5) . . ?
O2D Gd4 N3 67.7(3) . 4_686 ?
O2D Gd4 Gd2 128.5(2) . . ?
O2D Gd4 Gd3 71.8(2) . . ?
O2D Gd4 O2 147.1(3) . . ?
O2D Gd4 O3 79.0(3) . . ?
O2D Gd4 O5M 84.6(4) . . ?
O2D' Gd4 Gd2 126.1(4) . . ?
O2D' Gd4 Gd3 66.8(5) . . ?
Gd1 O1 Gd2 101.3(2) . . ?
Gd1 O1 H1 111.9 . . ?
Gd2 O1 H1 111.9 . . ?
Gd3 O1 Gd1 111.5(3) . . ?
Gd3 O1 Gd2 107.7(2) . . ?
Gd3 O1 H1 111.9 . . ?
Gd1 O2 Gd2 100.7(2) . . ?
Gd1 O2 Gd4 109.3(2) . . ?
Gd1 O2 H2 113.0 . . ?
Gd2 O2 Gd4 107.1(2) . . ?
Gd2 O2 H2 113.0 . . ?
Gd4 O2 H2 113.0 . . ?
Gd1 O3 H3 111.8 . . ?
Gd3 O3 Gd1 108.9(3) . . ?
Gd3 O3 Gd4 104.1(2) . . ?
Gd3 O3 H3 111.8 . . ?
Gd4 O3 Gd1 108.1(2) . . ?
Gd4 O3 H3 111.8 . . ?
Gd2 O4 Gd3 106.2(2) . . ?
Gd2 O4 H4 111.3 . . ?
Gd3 O4 H4 111.3 . . ?
Gd4 O4 Gd2 111.4(2) . . ?
Gd4 O4 Gd3 105.0(2) . . ?
Gd4 O4 H4 111.3 . . ?
Gd1 O1A Gd2 87.9(4) 2_556 2_556 ?
C1A O1A Gd1 146.4(13) . 2_556 ?
C1A O1A Gd2 87.0(9) . 2_556 ?
C1A O2A Gd2 96.5(10) . 2_556 ?
O1A C1A Gd2 68.0(9) . 2_556 ?
O1A C1A C2A 120.2(13) . . ?
O2A C1A Gd2 58.7(10) . 2_556 ?
O2A C1A O1A 124.9(15) . . ?
O2A C1A C2A 114.8(13) . . ?
C2A C1A Gd2 162.3(13) . 2_556 ?
C3A C2A C1A 114.3(14) . . ?
C3A C2A C5A 119.4(17) . . ?
C5A C2A C1A 126.2(14) . . ?
C2A C3A H3A 119.7 . . ?
C2A C3A C4A 120.5(19) . . ?
C4A C3A H3A 119.7 . . ?
C3A C4A H4A 118.6 . . ?
N1A C4A C3A 122.9(19) . . ?
N1A C4A H4A 118.6 . . ?
C2A C5A H5A 121.1 . . ?
C2A C5A C6A 117.7(19) . . ?
C6A C5A H5A 121.1 . . ?
C5A C6A H6A 117.5 . . ?
N1A C6A C5A 125.0(19) . . ?
N1A C6A H6A 117.5 . . ?
O1A' C1A' O2A' 130(2) . . ?
O1A' C1A' C2A' 118(2) . . ?
O2A' C1A' C2A' 112.0(19) . . ?
C3A' C2A' C1A' 115(2) . . ?
C3A' C2A' C5A' 115(2) . . ?
C5A' C2A' C1A' 130(2) . . ?
C2A' C3A' H3A' 121.3 . . ?
C2A' C3A' C4A' 117(3) . . ?
C4A' C3A' H3A' 121.3 . . ?
C3A' C4A' H4A' 117.8 . . ?
N1A C4A' C3A' 124(3) . . ?
N1A C4A' H4A' 117.8 . . ?
C2A' C5A' H5A' 114.7 . . ?
C2A' C5A' C6A' 131(3) . . ?
C6A' C5A' H5A' 114.7 . . ?
C5A' C6A' H6A' 124.1 . . ?
N1A C6A' C5A' 112(2) . . ?
N1A C6A' H6A' 124.1 . . ?
C4A N1A Gd1 120.2(11) . . ?
C4A N1A C6A 113.8(15) . . ?
C6A N1A Gd1 126.0(10) . . ?
C4A' N1A Gd1 109.8(16) . . ?
C6A' N1A Gd1 127.5(13) . . ?
C6A' N1A C4A' 121(2) . . ?
C1B O1B Gd1 134.2(7) . . ?
C1B O2B Gd4 138.4(7) . . ?
O1B C1B C2B 116.3(9) . . ?
O2B C1B O1B 126.7(10) . . ?
O2B C1B C2B 116.9(10) . . ?
C3B C2B C1B 121.6(11) . . ?
C3B C2B C5B 118.3(11) . . ?
C5B C2B C1B 120.1(10) . . ?
C2B C3B H3B 120.6 . . ?
C2B C3B C4B 118.8(12) . . ?
C4B C3B H3B 120.6 . . ?
C3B C4B H4B 118.8 . . ?
N1B C4B C3B 122.4(11) . . ?
N1B C4B H4B 118.8 . . ?
C2B C5B H5B 120.2 . . ?
C6B C5B C2B 119.6(12) . . ?
C6B C5B H5B 120.2 . . ?
C5B C6B H6B 119.1 . . ?
N1B C6B C5B 121.7(13) . . ?
N1B C6B H6B 119.1 . . ?
C4B N1B C6B 119.1(11) . . ?
C1C O1C Gd2 127.2(7) . . ?
C1C O2C Gd3 140.0(7) . . ?
O1C C1C C2C 114.7(11) . . ?
O1C C1C C2C' 112.3(15) . . ?
O2C C1C O1C 128.1(11) . . ?
O2C C1C C2C 116.2(11) . . ?
O2C C1C C2C' 118.9(14) . . ?
C3C C2C C1C 118.5(12) . . ?
C3C C2C C5C 119.3(15) . . ?
C5C C2C C1C 122.2(12) . . ?
C2C C3C H3C 121.2 . . ?
C4C C3C C2C 117.6(16) . . ?
C4C C3C H3C 121.2 . . ?
C3C C4C H4C 118.3 . . ?
N1C C4C C3C 123.4(17) . . ?
N1C C4C H4C 118.3 . . ?
C2C C5C H5C 120.2 . . ?
C6C C5C C2C 119.7(16) . . ?
C6C C5C H5C 120.2 . . ?
C5C C6C H6C 119.4 . . ?
N1C C6C C5C 121.2(17) . . ?
N1C C6C H6C 119.4 . . ?
C6C N1C C4C 118.9(16) . . ?
C3C' C2C' C1C 126(2) . . ?
C3C' C2C' C5C' 117(2) . . ?
C5C' C2C' C1C 117(2) . . ?
C2C' C3C' H3C' 119.9 . . ?
C4C' C3C' C2C' 120(3) . . ?
C4C' C3C' H3C' 119.9 . . ?
C3C' C4C' H4C' 118.3 . . ?
N1C' C4C' C3C' 123(4) . . ?
N1C' C4C' H4C' 118.3 . . ?
C2C' C5C' H5C' 120.6 . . ?
C6C' C5C' C2C' 119(3) . . ?
C6C' C5C' H5C' 120.6 . . ?
C5C' C6C' H6C' 117.6 . . ?
N1C' C6C' C5C' 125(4) . . ?
N1C' C6C' H6C' 117.6 . . ?
C4C' N1C' C6C' 116(4) . . ?
C1D O1D Gd3 133.3(7) . . ?
C1D O2D Gd4 122.3(8) . . ?
C1D O2D' Gd4 116.2(12) . . ?
O1D C1D O2D' 119.2(12) . . ?
O1D C1D C2D 116.5(9) . . ?
O2D C1D O1D 125.4(10) . . ?
O2D C1D C2D 117.7(10) . . ?
O2D' C1D C2D 122.7(12) . . ?
C3D C2D C1D 120.7(9) . . ?
C3D C2D C5D 118.6(9) . . ?
C5D C2D C1D 120.7(9) . . ?
C2D C3D H3D 120.4 . . ?
C4D C3D C2D 119.2(10) . . ?
C4D C3D H3D 120.4 . . ?
C3D C4D H4D 118.6 . . ?
N1D C4D C3D 122.7(11) . . ?
N1D C4D H4D 118.6 . . ?
C2D C5D H5D 120.9 . . ?
C6D C5D C2D 118.1(11) . . ?
C6D C5D H5D 120.9 . . ?
C5D C6D H6D 118.1 . . ?
C5D C6D N1D 123.7(12) . . ?
N1D C6D H6D 118.1 . . ?
C4D N1D C6D 117.5(10) . . ?

_refine_diff_density_max         1.829
_refine_diff_density_min         -2.388
_refine_diff_density_rms         0.309




####################################################################### 
# 
# 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. 
# 
#######################################################################

data_lit83er
_database_code_depnum_ccdc_archive 'CCDC 1904286'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H42 Er4 N10 O23 Re6 S8'
_chemical_formula_weight         2953.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0050 0.0020 '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 0.0090 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0150 0.0080 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1500 0.1580 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.3190 6.2460 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.6850 8.6400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.459(4)
_cell_length_b                   12.321(2)
_cell_length_c                   23.420(3)
_cell_angle_alpha                90
_cell_angle_beta                 110.270(8)
_cell_angle_gamma                90
_cell_volume                     6079.4(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3380
_cell_measurement_theta_min      3.20
_cell_measurement_theta_max      30.0

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.227
_exptl_crystal_F_000             5304
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    24.228
_shelx_estimated_absorpt_T_min   0.196
_shelx_estimated_absorpt_T_max   0.377
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.260
_exptl_absorpt_correction_T_max  0.310
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_absorpt_special_details   ?

_diffrn_radiation_source         synchrotron
_diffrn_radiation_monochromator  'Double Crystal Monochromator'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.80246
_diffrn_radiation_type           synchrotron
_diffrn_source                   synchrotron
_diffrn_measurement_device_type  'Rayonix SX-165 CCD'
_diffrn_measurement_method       'φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39521
_diffrn_reflns_av_unetI/netI     0.0882
_diffrn_reflns_av_R_equivalents  0.0779
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.263
_diffrn_reflns_theta_max         29.692
_diffrn_reflns_theta_full        29.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11944
_reflns_number_gt                11255
_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.
 
 _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       'Marccd (Doyle, 2011)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_reduction        'iMosflm (Battye et al., 2011)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+94.9500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11944
_refine_ls_number_parameters     775
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0413
_refine_ls_wR_factor_ref         0.1098
_refine_ls_wR_factor_gt          0.1076
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.003
_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
Re1 Re 0.30236(2) 1.09198(3) 0.57220(2) 0.00492(9) Uani 1 1 d . . . . .
Re2 Re 0.32452(2) 1.29872(3) 0.58733(2) 0.00462(9) Uani 1 1 d . . . . .
Re3 Re 0.22812(2) 1.33870(3) 0.48919(2) 0.00393(9) Uani 1 1 d . . . . .
Re4 Re 0.20564(2) 1.13084(3) 0.47384(2) 0.00402(9) Uani 1 1 d . . . . .
Re5 Re 0.31756(2) 1.20783(3) 0.48500(2) 0.00418(9) Uani 1 1 d . . . . .
Re6 Re 0.21280(2) 1.22345(3) 0.57586(2) 0.00469(9) Uani 1 1 d . . . . .
S1 S 0.40261(10) 1.17152(19) 0.57923(10) 0.0083(4) Uani 1 1 d . . . . .
S2 S 0.33380(10) 1.39946(18) 0.50322(10) 0.0077(4) Uani 1 1 d . . . . .
S3 S 0.22414(10) 1.24411(18) 0.39791(10) 0.0068(4) Uani 1 1 d . . . . .
S4 S 0.29303(10) 1.01647(18) 0.47457(10) 0.0076(4) Uani 1 1 d . . . . .
S5 S 0.30524(10) 1.18704(19) 0.66311(10) 0.0088(4) Uani 1 1 d . . . . .
S6 S 0.23775(10) 1.41398(18) 0.58645(11) 0.0088(4) Uani 1 1 d . . . . .
S7 S 0.12781(10) 1.25941(18) 0.48167(10) 0.0075(4) Uani 1 1 d . . . . .
S8 S 0.19582(10) 1.03119(18) 0.55837(10) 0.0084(4) Uani 1 1 d . . . . .
C1 C 0.3488(4) 0.9557(8) 0.6244(4) 0.0110(19) Uani 1 1 d . . . . .
N1 N 0.3753(4) 0.8864(7) 0.6577(4) 0.0108(16) Uani 1 1 d . . . . .
C2 C 0.3934(4) 1.3968(8) 0.6517(4) 0.0101(18) Uani 1 1 d . . . . .
N2 N 0.4304(4) 1.4494(7) 0.6865(4) 0.0124(17) Uani 1 1 d . . . . .
C3 C 0.1869(4) 1.4861(8) 0.4468(5) 0.0131(19) Uani 1 1 d . . . . .
N3 N 0.1643(4) 1.5679(7) 0.4266(4) 0.0158(18) Uani 1 1 d . . . . .
C4 C 0.1327(4) 1.0354(7) 0.4086(4) 0.0074(17) Uani 1 1 d . U . . .
N4 N 0.0909(4) 0.9945(7) 0.3738(4) 0.0103(16) Uani 1 1 d . U . . .
C5 C 0.3790(4) 1.2134(8) 0.4336(4) 0.0093(17) Uani 1 1 d . U . . .
N5 N 0.4138(4) 1.2246(7) 0.4066(4) 0.0127(16) Uani 1 1 d . U . . .
C6 C 0.1512(4) 1.2411(8) 0.6266(4) 0.0101(17) Uani 1 1 d . U . . .
N6 N 0.1165(4) 1.2587(7) 0.6521(4) 0.0164(17) Uani 1 1 d . U . . .
Er1 Er 0.41531(2) 0.79622(3) 0.75599(2) 0.00625(10) Uani 1 1 d . . . . .
Er2 Er 0.50717(2) 0.54416(3) 0.77494(2) 0.00432(9) Uani 1 1 d . . . . .
Er3 Er 0.53580(2) 0.75293(3) 0.67521(2) 0.00576(9) Uani 1 1 d . . . . .
Er4 Er 0.59071(2) 0.80485(3) 0.84593(2) 0.00667(10) Uani 1 1 d . . . . .
O1 O 0.4559(3) 0.6734(5) 0.7011(3) 0.0063(12) Uani 1 1 d . U . . .
H1 H 0.421978 0.641022 0.665320 0.008 Uiso 1 1 calc R U . . .
O2 O 0.4975(3) 0.7046(5) 0.8266(3) 0.0049(12) Uani 1 1 d . U . . .
H2 H 0.488478 0.688758 0.864697 0.006 Uiso 1 1 calc R U . . .
O3 O 0.5124(3) 0.8560(5) 0.7487(3) 0.0066(12) Uani 1 1 d . U . . .
H3 H 0.512491 0.935739 0.740800 0.008 Uiso 1 1 calc R U . . .
O4 O 0.5821(3) 0.6740(5) 0.7733(3) 0.0064(12) Uani 1 1 d . U . . .
H4 H 0.624133 0.640165 0.778497 0.008 Uiso 1 1 calc R U . . .
O1M O 0.4533(4) 0.7244(7) 0.5825(4) 0.0226(17) Uani 1 1 d . U . . .
O2M O 0.5092(4) 0.9349(7) 0.6363(4) 0.0230(17) Uani 1 1 d . . . . .
O3M O 0.6889(3) 0.7132(6) 0.8916(4) 0.0194(16) Uani 1 1 d . . . . .
O4M O 0.5897(4) 0.7438(8) 0.9415(4) 0.030(2) Uani 1 1 d . . . . .
O1A O 0.0866(3) 1.0270(6) 0.7035(3) 0.0163(15) Uani 1 1 d . . . . .
O2A O 0.1506(3) 1.1507(6) 0.7659(4) 0.0176(15) Uani 1 1 d . . . . .
C1A C 0.1404(5) 1.0636(8) 0.7344(5) 0.016(2) Uani 1 1 d . . . . .
C2A C 0.1979(5) 0.9996(8) 0.7369(5) 0.015(2) Uani 1 1 d . U . . .
C3A C 0.1965(5) 0.9193(9) 0.6960(5) 0.019(2) Uani 1 1 d . . . . .
H3A H 0.158221 0.901191 0.664058 0.023 Uiso 1 1 calc R U . . .
C4A C 0.2530(5) 0.8647(10) 0.7026(6) 0.023(2) Uani 1 1 d . . . . .
H4A H 0.251519 0.807654 0.674817 0.028 Uiso 1 1 calc R U . . .
C5A C 0.2552(5) 1.0259(9) 0.7827(5) 0.019(2) Uani 1 1 d . . . . .
H5A H 0.257243 1.082768 0.810740 0.023 Uiso 1 1 calc R U . . .
C6A C 0.3091(5) 0.9666(8) 0.7862(5) 0.017(2) Uani 1 1 d . . . . .
H6A H 0.347805 0.981581 0.818356 0.021 Uiso 1 1 calc R U . . .
N1A N 0.3084(4) 0.8867(7) 0.7446(4) 0.0146(17) Uani 1 1 d . . . . .
O1B O 0.4377(3) 0.9573(5) 0.8061(3) 0.0139(14) Uani 1 1 d . U . . .
O2B O 0.5397(3) 0.9528(6) 0.8657(3) 0.0187(16) Uani 1 1 d . . . . .
C1B C 0.4910(5) 1.0020(8) 0.8332(5) 0.016(2) Uani 1 1 d . . . . .
C2B C 0.4961(5) 1.1209(8) 0.8234(5) 0.016(2) Uani 1 1 d . U . . .
C3B C 0.4414(5) 1.1842(10) 0.8041(5) 0.021(2) Uani 1 1 d . . . . .
H3B H 0.401135 1.152962 0.798617 0.025 Uiso 1 1 calc R U . . .
C4B C 0.4468(5) 1.2946(9) 0.7931(6) 0.023(2) Uani 1 1 d . U . . .
H4B H 0.409485 1.337784 0.780122 0.027 Uiso 1 1 calc R U . . .
C5B C 0.5541(5) 1.1681(8) 0.8281(5) 0.017(2) Uani 1 1 d . . . . .
H5B H 0.592262 1.127028 0.840037 0.021 Uiso 1 1 calc R U . . .
C6B C 0.5535(5) 1.2789(9) 0.8146(5) 0.017(2) Uani 1 1 d . . . . .
H6B H 0.592362 1.311302 0.815988 0.021 Uiso 1 1 calc R U . . .
N1B N 0.5024(4) 1.3418(7) 0.8000(4) 0.0141(17) Uani 1 1 d . . . . .
O1C O 0.5676(3) 0.4571(5) 0.7278(3) 0.0112(13) Uani 1 1 d . . . . .
O2C O 0.5614(3) 0.5773(6) 0.6547(3) 0.0157(15) Uani 1 1 d . . . . .
C1C C 0.5795(4) 0.4899(9) 0.6815(4) 0.013(2) Uani 1 1 d . . . . .
C2C C 0.6189(5) 0.4145(8) 0.6587(5) 0.0168(17) Uani 1 1 d . U . . .
C3C C 0.6322(5) 0.3079(9) 0.6808(5) 0.0195(15) Uani 1 1 d . U . . .
H3C H 0.614462 0.279791 0.709138 0.023 Uiso 1 1 calc R U . . .
C4C C 0.6718(5) 0.2449(9) 0.6603(5) 0.0213(17) Uani 1 1 d . U . . .
H4C H 0.680256 0.172495 0.674813 0.026 Uiso 1 1 calc R U . . .
C5C C 0.6431(5) 0.4505(9) 0.6156(5) 0.018(2) Uani 1 1 d . . . . .
H5C H 0.632793 0.520505 0.597874 0.021 Uiso 1 1 calc R U . . .
C6C C 0.6841(5) 0.3800(9) 0.5983(6) 0.022(2) Uani 1 1 d . . . . .
H6C H 0.701799 0.404837 0.569228 0.027 Uiso 1 1 calc R U . . .
N1C N 0.6985(4) 0.2810(8) 0.6211(4) 0.0191(19) Uani 1 1 d . . . . .
O1D O 0.6317(3) 0.8367(6) 0.7122(3) 0.0117(14) Uani 1 1 d . . . . .
O2D O 0.6474(3) 0.9101(6) 0.8034(3) 0.0177(15) Uani 1 1 d . U . . .
C1D C 0.6574(4) 0.9033(8) 0.7555(4) 0.0090(18) Uani 1 1 d . . . . .
C2D C 0.7080(4) 0.9744(8) 0.7464(5) 0.0108(19) Uani 1 1 d . . . . .
C3D C 0.7305(4) 0.9540(8) 0.6990(5) 0.0127(15) Uani 1 1 d . U . . .
H3D H 0.713829 0.896324 0.671063 0.015 Uiso 1 1 calc R U . . .
C4D C 0.7789(4) 1.0221(8) 0.6940(5) 0.0134(13) Uani 1 1 d . U . . .
H4D H 0.794890 1.009211 0.662006 0.016 Uiso 1 1 calc R U . . .
C5D C 0.7336(5) 1.0581(9) 0.7860(5) 0.017(2) Uani 1 1 d . . . . .
H5D H 0.719033 1.071873 0.818857 0.020 Uiso 1 1 calc R U . . .
C6D C 0.7809(5) 1.1227(8) 0.7779(5) 0.017(2) Uani 1 1 d . U . . .
H6D H 0.798012 1.181386 0.804838 0.021 Uiso 1 1 calc R U . . .
N1D N 0.8027(4) 1.1023(7) 0.7317(4) 0.0150(14) Uani 1 1 d . U . . .
O1W O 0.3407(4) 0.6426(7) 0.5824(4) 0.0273(18) Uani 1 1 d . . . . .
O2W O 0.7341(5) 0.7285(8) 1.0305(5) 0.045(3) Uani 0.97 1 d . . P . .
O3W O 0.4835(5) 0.6057(9) 0.9404(5) 0.046(3) Uani 1 1 d . . . . .
O4W O 0.4735(6) 1.3724(12) 0.9358(5) 0.038(3) Uani 0.75 1 d . . P . .
O5W O 0.4690(7) 0.7423(13) 0.4724(6) 0.046(4) Uani 0.7 1 d . U P . .
O6W O 0.5625(10) 0.965(2) 1.0019(10) 0.050(5) Uani 0.5 1 d . U P . .
O7W O 0.4887(9) 0.4721(19) 0.5394(9) 0.042(5) Uani 0.5 1 d . U P . .
O8W O 0.6302(12) 0.792(2) 1.0707(13) 0.045(6) Uani 0.4 1 d . U P . .
O9W O 0.528(2) 1.008(3) 0.5337(19) 0.045(6) Uani 0.25 1 d . U P . .
O10W O 0.5738(10) 1.0514(17) 0.5754(10) 0.045(5) Uani 0.5 1 d . U P . .
O11W O 0.492(2) 0.398(4) 0.557(2) 0.046(10) Uani 0.25 1 d . U P . .
O12W O 0.564(3) 0.997(5) 1.042(3) 0.048(14) Uani 0.18 1 d . U P . .


_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
Re1 Re2 2.5960(6) . yes
Re1 Re4 2.6051(6) . yes
Re1 Re5 2.6091(5) . yes
Re1 Re6 2.6070(6) . yes
Re1 S1 2.408(2) . yes
Re1 S4 2.410(2) . yes
Re1 S5 2.411(2) . yes
Re1 S8 2.420(2) . yes
Re1 C1 2.126(10) . yes
Re2 Re3 2.6009(6) . yes
Re2 Re5 2.6004(6) . yes
Re2 Re6 2.6001(6) . yes
Re2 S1 2.408(2) . yes
Re2 S2 2.398(2) . yes
Re2 S5 2.401(2) . yes
Re2 S6 2.406(2) . yes
Re2 C2 2.124(9) . yes
Re3 Re4 2.6110(6) . yes
Re3 Re5 2.6041(6) . yes
Re3 Re6 2.5959(5) . yes
Re3 S2 2.400(2) . yes
Re3 S3 2.409(2) . yes
Re3 S6 2.399(2) . yes
Re3 S7 2.405(2) . yes
Re3 C3 2.122(10) . yes
Re4 Re5 2.6136(6) . yes
Re4 Re6 2.6019(6) . yes
Re4 S3 2.407(2) . yes
Re4 S4 2.411(2) . yes
Re4 S7 2.413(2) . yes
Re4 S8 2.404(2) . yes
Re4 C4 2.160(9) . yes
Re5 S1 2.408(2) . yes
Re5 S2 2.405(2) . yes
Re5 S3 2.408(2) . yes
Re5 S4 2.414(2) . yes
Re5 C5 2.124(9) . yes
Re6 S5 2.397(2) . yes
Re6 S6 2.406(2) . yes
Re6 S7 2.406(2) . yes
Re6 S8 2.412(2) . yes
Re6 C6 2.123(9) . yes
C1 N1 1.170(13) . ?
N1 Er1 2.430(8) . yes
C2 N2 1.143(13) . ?
N2 Er2 2.480(8) 1_565 yes
C3 N3 1.153(13) . ?
N3 Er4 2.568(9) 4_585 yes
C4 N4 1.126(12) . ?
N4 Er2 2.471(8) 4_575 yes
C5 N5 1.170(13) . ?
N5 Er3 2.556(8) 3_676 yes
C6 N6 1.155(13) . ?
N6 Er1 2.535(9) 2_556 yes
Er1 Er2 3.6693(7) . ?
Er1 Er3 3.8384(7) . ?
Er1 Er4 3.7706(9) . ?
Er1 O1 2.363(6) . yes
Er1 O2 2.303(6) . yes
Er1 O3 2.363(6) . yes
Er1 O2A 2.268(7) 2_546 yes
Er1 N1A 2.576(8) . yes
Er1 O1B 2.271(7) . yes
Er2 Er3 3.6778(6) . ?
Er2 Er4 3.8000(7) . ?
Er2 O1 2.339(6) . yes
Er2 O2 2.367(6) . yes
Er2 O4 2.332(6) . yes
Er2 O1A 2.338(6) 2_546 yes
Er2 N1B 2.572(8) 1_545 yes
Er2 O1C 2.291(6) . yes
Er3 Er4 3.8077(8) . ?
Er3 O1 2.303(6) . yes
Er3 O3 2.341(6) . yes
Er3 O4 2.376(6) . yes
Er3 O1M 2.341(8) . yes
Er3 O2M 2.416(8) . yes
Er3 O2C 2.332(7) . yes
Er3 O1D 2.271(6) . yes
Er4 O2 2.335(6) . yes
Er4 O3 2.429(6) . yes
Er4 O4 2.303(6) . yes
Er4 O3M 2.376(7) . yes
Er4 O4M 2.369(8) . yes
Er4 O2B 2.284(7) . yes
Er4 O2D 2.274(7) . yes
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.258(13) . ?
O2A C1A 1.277(13) . ?
C1A C2A 1.496(13) . ?
C2A C3A 1.372(16) . ?
C2A C5A 1.398(15) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.397(14) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.319(14) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.393(14) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.381(14) . ?
O1B C1B 1.269(13) . ?
O2B C1B 1.252(13) . ?
C1B C2B 1.493(14) . ?
C2B C3B 1.392(15) . ?
C2B C5B 1.395(14) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.398(16) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.336(14) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.400(15) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.327(14) . ?
O1C C1C 1.269(12) . ?
O2C C1C 1.242(13) . ?
C1C C2C 1.504(14) . ?
C2C C3C 1.405(15) . ?
C2C C5C 1.376(14) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.385(16) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.337(14) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.423(15) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.326(14) . ?
O1D C1D 1.277(12) . ?
O2D C1D 1.221(12) . ?
C1D C2D 1.507(12) . ?
C2D C3D 1.392(13) . ?
C2D C5D 1.372(14) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.410(13) . ?
C4D H4D 0.9500 . ?
C4D N1D 1.310(13) . ?
C5D H5D 0.9500 . ?
C5D C6D 1.393(14) . ?
C6D H6D 0.9500 . ?
C6D N1D 1.356(13) . ?
O6W O12W 1.01(6) . ?
O7W O11W 0.99(5) . ?
O9W O9W 1.66(9) 3_676 ?
O9W O10W 1.26(5) . ?

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
Re2 Re1 Re4 90.118(15) . . ?
Re2 Re1 Re5 59.946(15) . . ?
Re2 Re1 Re6 59.965(16) . . ?
Re4 Re1 Re5 60.166(16) . . ?
Re4 Re1 Re6 59.894(15) . . ?
Re6 Re1 Re5 89.855(17) . . ?
S1 Re1 Re2 57.38(5) . . ?
S1 Re1 Re4 117.33(6) . . ?
S1 Re1 Re5 57.19(5) . . ?
S1 Re1 Re6 117.30(6) . . ?
S1 Re1 S4 89.65(8) . . ?
S1 Re1 S5 90.21(8) . . ?
S1 Re1 S8 173.16(8) . . ?
S4 Re1 Re2 117.25(5) . . ?
S4 Re1 Re4 57.32(5) . . ?
S4 Re1 Re5 57.34(5) . . ?
S4 Re1 Re6 117.17(5) . . ?
S4 Re1 S5 172.95(8) . . ?
S4 Re1 S8 89.80(8) . . ?
S5 Re1 Re2 57.16(5) . . ?
S5 Re1 Re4 116.78(6) . . ?
S5 Re1 Re5 117.05(6) . . ?
S5 Re1 Re6 56.91(6) . . ?
S5 Re1 S8 89.50(8) . . ?
S8 Re1 Re2 117.13(6) . . ?
S8 Re1 Re4 57.01(5) . . ?
S8 Re1 Re5 117.13(6) . . ?
S8 Re1 Re6 57.20(6) . . ?
C1 Re1 Re2 131.6(3) . . ?
C1 Re1 Re4 138.3(3) . . ?
C1 Re1 Re5 135.4(2) . . ?
C1 Re1 Re6 134.6(2) . . ?
C1 Re1 S1 91.2(2) . . ?
C1 Re1 S4 96.0(3) . . ?
C1 Re1 S5 91.0(3) . . ?
C1 Re1 S8 95.6(2) . . ?
Re1 Re2 Re3 90.212(16) . . ?
Re1 Re2 Re5 60.276(13) . . ?
Re1 Re2 Re6 60.227(13) . . ?
Re5 Re2 Re3 60.086(16) . . ?
Re6 Re2 Re3 59.882(15) . . ?
Re6 Re2 Re5 90.196(17) . . ?
S1 Re2 Re1 57.39(5) . . ?
S1 Re2 Re3 117.36(6) . . ?
S1 Re2 Re5 57.32(5) . . ?
S1 Re2 Re6 117.57(6) . . ?
S2 Re2 Re1 117.58(6) . . ?
S2 Re2 Re3 57.22(5) . . ?
S2 Re2 Re5 57.34(6) . . ?
S2 Re2 Re6 117.08(5) . . ?
S2 Re2 S1 89.96(8) . . ?
S2 Re2 S5 173.40(8) . . ?
S2 Re2 S6 89.32(8) . . ?
S5 Re2 Re1 57.54(6) . . ?
S5 Re2 Re3 116.98(6) . . ?
S5 Re2 Re5 117.76(6) . . ?
S5 Re2 Re6 57.12(5) . . ?
S5 Re2 S1 90.46(8) . . ?
S5 Re2 S6 89.52(8) . . ?
S6 Re2 Re1 117.49(6) . . ?
S6 Re2 Re3 57.10(6) . . ?
S6 Re2 Re5 117.16(6) . . ?
S6 Re2 Re6 57.30(5) . . ?
S6 Re2 S1 173.46(8) . . ?
C2 Re2 Re1 135.5(3) . . ?
C2 Re2 Re3 134.3(3) . . ?
C2 Re2 Re5 134.1(2) . . ?
C2 Re2 Re6 135.7(2) . . ?
C2 Re2 S1 93.1(3) . . ?
C2 Re2 S2 92.3(3) . . ?
C2 Re2 S5 94.3(3) . . ?
C2 Re2 S6 93.4(3) . . ?
Re2 Re3 Re4 89.881(15) . . ?
Re2 Re3 Re5 59.948(15) . . ?
Re5 Re3 Re4 60.154(15) . . ?
Re6 Re3 Re2 60.044(16) . . ?
Re6 Re3 Re4 59.959(14) . . ?
Re6 Re3 Re5 90.209(17) . . ?
S2 Re3 Re2 57.13(5) . . ?
S2 Re3 Re4 117.37(6) . . ?
S2 Re3 Re5 57.26(6) . . ?
S2 Re3 Re6 117.14(6) . . ?
S2 Re3 S3 90.19(7) . . ?
S2 Re3 S7 173.37(8) . . ?
S3 Re3 Re2 117.14(5) . . ?
S3 Re3 Re4 57.14(5) . . ?
S3 Re3 Re5 57.25(5) . . ?
S3 Re3 Re6 117.07(6) . . ?
S6 Re3 Re2 57.35(5) . . ?
S6 Re3 Re4 117.35(6) . . ?
S6 Re3 Re5 117.27(6) . . ?
S6 Re3 Re6 57.44(6) . . ?
S6 Re3 S2 89.42(8) . . ?
S6 Re3 S3 173.26(8) . . ?
S6 Re3 S7 90.03(8) . . ?
S7 Re3 Re2 117.36(6) . . ?
S7 Re3 Re4 57.32(5) . . ?
S7 Re3 Re5 117.44(6) . . ?
S7 Re3 Re6 57.36(6) . . ?
S7 Re3 S3 89.59(8) . . ?
C3 Re3 Re2 132.1(3) . . ?
C3 Re3 Re4 138.0(3) . . ?
C3 Re3 Re5 136.9(3) . . ?
C3 Re3 Re6 132.8(3) . . ?
C3 Re3 S2 92.7(3) . . ?
C3 Re3 S3 97.1(3) . . ?
C3 Re3 S6 89.7(3) . . ?
C3 Re3 S7 93.9(3) . . ?
Re1 Re4 Re3 89.789(15) . . ?
Re1 Re4 Re5 59.992(16) . . ?
Re3 Re4 Re5 59.791(13) . . ?
Re6 Re4 Re1 60.088(15) . . ?
Re6 Re4 Re3 59.732(13) . . ?
Re6 Re4 Re5 89.867(16) . . ?
S3 Re4 Re1 117.08(5) . . ?
S3 Re4 Re3 57.21(5) . . ?
S3 Re4 Re5 57.13(5) . . ?
S3 Re4 Re6 116.91(6) . . ?
S3 Re4 S4 89.75(7) . . ?
S3 Re4 S7 89.46(7) . . ?
S4 Re4 Re1 57.26(5) . . ?
S4 Re4 Re3 117.01(5) . . ?
S4 Re4 Re5 57.26(5) . . ?
S4 Re4 Re6 117.30(6) . . ?
S4 Re4 S7 172.99(8) . . ?
S7 Re4 Re1 117.23(6) . . ?
S7 Re4 Re3 57.05(5) . . ?
S7 Re4 Re5 116.82(5) . . ?
S7 Re4 Re6 57.19(6) . . ?
S8 Re4 Re1 57.60(5) . . ?
S8 Re4 Re3 117.14(6) . . ?
S8 Re4 Re5 117.55(5) . . ?
S8 Re4 Re6 57.44(6) . . ?
S8 Re4 S3 173.28(8) . . ?
S8 Re4 S4 90.14(8) . . ?
S8 Re4 S7 89.84(8) . . ?
C4 Re4 Re1 136.2(2) . . ?
C4 Re4 Re3 134.0(2) . . ?
C4 Re4 Re5 137.4(2) . . ?
C4 Re4 Re6 132.7(2) . . ?
C4 Re4 S3 94.3(2) . . ?
C4 Re4 S4 95.9(2) . . ?
C4 Re4 S7 91.1(2) . . ?
C4 Re4 S8 92.4(2) . . ?
Re1 Re5 Re4 59.842(14) . . ?
Re2 Re5 Re1 59.777(17) . . ?
Re2 Re5 Re3 59.966(15) . . ?
Re2 Re5 Re4 89.834(16) . . ?
Re3 Re5 Re1 89.854(17) . . ?
Re3 Re5 Re4 60.054(17) . . ?
S1 Re5 Re1 57.20(5) . . ?
S1 Re5 Re2 57.32(5) . . ?
S1 Re5 Re3 117.25(6) . . ?
S1 Re5 Re4 117.02(5) . . ?
S1 Re5 S4 89.55(8) . . ?
S2 Re5 Re1 116.82(5) . . ?
S2 Re5 Re2 57.09(5) . . ?
S2 Re5 Re3 57.10(5) . . ?
S2 Re5 Re4 117.10(5) . . ?
S2 Re5 S1 89.79(8) . . ?
S2 Re5 S3 90.12(8) . . ?
S2 Re5 S4 172.81(7) . . ?
S3 Re5 Re1 116.92(5) . . ?
S3 Re5 Re2 117.21(5) . . ?
S3 Re5 Re3 57.30(5) . . ?
S3 Re5 Re4 57.12(5) . . ?
S3 Re5 S1 173.06(7) . . ?
S3 Re5 S4 89.67(8) . . ?
S4 Re5 Re1 57.17(5) . . ?
S4 Re5 Re2 116.91(5) . . ?
S4 Re5 Re3 117.17(5) . . ?
S4 Re5 Re4 57.15(5) . . ?
C5 Re5 Re1 138.5(3) . . ?
C5 Re5 Re2 131.7(3) . . ?
C5 Re5 Re3 131.5(3) . . ?
C5 Re5 Re4 138.3(2) . . ?
C5 Re5 S1 93.5(2) . . ?
C5 Re5 S2 88.9(3) . . ?
C5 Re5 S3 93.5(2) . . ?
C5 Re5 S4 98.3(3) . . ?
Re2 Re6 Re1 59.809(17) . . ?
Re2 Re6 Re4 90.100(16) . . ?
Re3 Re6 Re1 90.081(17) . . ?
Re3 Re6 Re2 60.074(14) . . ?
Re3 Re6 Re4 60.309(17) . . ?
Re4 Re6 Re1 60.018(14) . . ?
S5 Re6 Re1 57.43(6) . . ?
S5 Re6 Re2 57.25(5) . . ?
S5 Re6 Re3 117.30(6) . . ?
S5 Re6 Re4 117.42(6) . . ?
S5 Re6 S6 89.59(8) . . ?
S5 Re6 S7 173.55(7) . . ?
S5 Re6 S8 90.01(8) . . ?
S6 Re6 Re1 117.05(5) . . ?
S6 Re6 Re2 57.28(5) . . ?
S6 Re6 Re3 57.16(6) . . ?
S6 Re6 Re4 117.43(6) . . ?
S6 Re6 S8 173.33(7) . . ?
S7 Re6 Re1 117.41(5) . . ?
S7 Re6 Re2 117.37(5) . . ?
S7 Re6 Re3 57.34(5) . . ?
S7 Re6 Re4 57.44(5) . . ?
S7 Re6 S6 89.85(8) . . ?
S7 Re6 S8 89.81(8) . . ?
S8 Re6 Re1 57.49(5) . . ?
S8 Re6 Re2 117.26(5) . . ?
S8 Re6 Re3 117.42(5) . . ?
S8 Re6 Re4 57.14(5) . . ?
C6 Re6 Re1 137.9(3) . . ?
C6 Re6 Re2 134.3(3) . . ?
C6 Re6 Re3 132.1(3) . . ?
C6 Re6 Re4 135.5(3) . . ?
C6 Re6 S5 94.7(3) . . ?
C6 Re6 S6 90.9(3) . . ?
C6 Re6 S7 91.7(3) . . ?
C6 Re6 S8 95.8(3) . . ?
Re2 S1 Re1 65.23(6) . . ?
Re5 S1 Re1 65.60(6) . . ?
Re5 S1 Re2 65.36(6) . . ?
Re2 S2 Re3 65.65(6) . . ?
Re2 S2 Re5 65.57(6) . . ?
Re3 S2 Re5 65.63(6) . . ?
Re4 S3 Re3 65.65(6) . . ?
Re4 S3 Re5 65.75(6) . . ?
Re5 S3 Re3 65.45(6) . . ?
Re1 S4 Re4 65.42(6) . . ?
Re1 S4 Re5 65.49(6) . . ?
Re4 S4 Re5 65.59(6) . . ?
Re2 S5 Re1 65.30(6) . . ?
Re6 S5 Re1 65.66(6) . . ?
Re6 S5 Re2 65.62(6) . . ?
Re2 S6 Re6 65.41(6) . . ?
Re3 S6 Re2 65.55(6) . . ?
Re3 S6 Re6 65.40(6) . . ?
Re3 S7 Re4 65.63(5) . . ?
Re3 S7 Re6 65.31(6) . . ?
Re6 S7 Re4 65.36(6) . . ?
Re4 S8 Re1 65.38(5) . . ?
Re4 S8 Re6 65.41(6) . . ?
Re6 S8 Re1 65.31(6) . . ?
N1 C1 Re1 174.0(8) . . ?
C1 N1 Er1 154.2(7) . . ?
N2 C2 Re2 179.7(9) . . ?
C2 N2 Er2 170.4(8) . 1_565 ?
N3 C3 Re3 176.6(9) . . ?
C3 N3 Er4 156.2(8) . 4_585 ?
N4 C4 Re4 173.2(8) . . ?
C4 N4 Er2 159.6(7) . 4_575 ?
N5 C5 Re5 174.9(9) . . ?
C5 N5 Er3 165.7(7) . 3_676 ?
N6 C6 Re6 174.6(9) . . ?
C6 N6 Er1 155.9(8) . 2_556 ?
N1 Er1 N6 140.1(3) . 2_546 ?
N1 Er1 Er2 120.63(19) . . ?
N1 Er1 Er3 71.89(18) . . ?
N1 Er1 Er4 119.20(18) . . ?
N1 Er1 N1A 71.3(3) . . ?
N6 Er1 Er2 93.1(2) 2_546 . ?
N6 Er1 Er3 147.9(2) 2_546 . ?
N6 Er1 Er4 94.5(2) 2_546 . ?
N6 Er1 N1A 68.9(3) 2_546 . ?
Er2 Er1 Er3 58.612(11) . . ?
Er2 Er1 Er4 61.411(12) . . ?
Er4 Er1 Er3 60.048(15) . . ?
O1 Er1 N1 82.2(2) . . ?
O1 Er1 N6 128.3(3) . 2_546 ?
O1 Er1 Er2 38.46(15) . . ?
O1 Er1 Er3 34.14(15) . . ?
O1 Er1 Er4 78.26(15) . . ?
O1 Er1 N1A 137.9(3) . . ?
O2 Er1 N1 147.7(2) . . ?
O2 Er1 N6 72.1(2) . 2_546 ?
O2 Er1 Er2 38.83(15) . . ?
O2 Er1 Er3 76.06(15) . . ?
O2 Er1 Er4 35.91(15) . . ?
O2 Er1 O1 73.3(2) . . ?
O2 Er1 O3 71.0(2) . . ?
O2 Er1 N1A 140.6(2) . . ?
O3 Er1 N1 80.6(2) . . ?
O3 Er1 N6 131.1(3) . 2_546 ?
O3 Er1 Er2 77.19(15) . . ?
O3 Er1 Er3 35.12(15) . . ?
O3 Er1 Er4 38.73(15) . . ?
O3 Er1 O1 67.7(2) . . ?
O3 Er1 N1A 135.1(2) . . ?
O2A Er1 N1 98.6(3) 2_546 . ?
O2A Er1 N6 72.2(3) 2_546 2_546 ?
O2A Er1 Er2 69.76(18) 2_546 . ?
O2A Er1 Er3 107.16(18) 2_546 . ?
O2A Er1 Er4 128.51(18) 2_546 . ?
O2A Er1 O1 73.5(2) 2_546 . ?
O2A Er1 O2 94.2(2) 2_546 . ?
O2A Er1 O3 140.9(2) 2_546 . ?
O2A Er1 N1A 78.9(3) 2_546 . ?
O2A Er1 O1B 144.9(2) 2_546 . ?
N1A Er1 Er2 147.5(2) . . ?
N1A Er1 Er3 143.14(18) . . ?
N1A Er1 Er4 143.3(2) . . ?
O1B Er1 N1 91.9(3) . . ?
O1B Er1 N6 78.4(3) . 2_546 ?
O1B Er1 Er2 131.47(17) . . ?
O1B Er1 Er3 107.92(17) . . ?
O1B Er1 Er4 71.63(17) . . ?
O1B Er1 O1 141.4(2) . . ?
O1B Er1 O2 94.5(2) . . ?
O1B Er1 O3 73.7(2) . . ?
O1B Er1 N1A 73.0(3) . . ?
N2 Er2 Er1 95.66(19) 1_545 . ?
N2 Er2 Er3 91.31(19) 1_545 . ?
N2 Er2 Er4 149.13(19) 1_545 . ?
N2 Er2 N1B 70.3(3) 1_545 1_545 ?
N4 Er2 N2 140.8(3) 4_676 1_545 ?
N4 Er2 Er1 119.36(19) 4_676 . ?
N4 Er2 Er3 119.06(18) 4_676 . ?
N4 Er2 Er4 69.69(19) 4_676 . ?
N4 Er2 N1B 71.2(3) 4_676 1_545 ?
Er1 Er2 Er3 62.992(14) . . ?
Er1 Er2 Er4 60.608(16) . . ?
Er3 Er2 Er4 61.196(14) . . ?
O1 Er2 N2 71.4(2) . 1_545 ?
O1 Er2 N4 147.5(2) . 4_676 ?
O1 Er2 Er1 38.95(15) . . ?
O1 Er2 Er3 37.25(14) . . ?
O1 Er2 Er4 77.88(16) . . ?
O1 Er2 O2 72.6(2) . . ?
O1 Er2 N1B 141.3(2) . 1_545 ?
O2 Er2 N2 131.3(2) . 1_545 ?
O2 Er2 N4 81.8(2) . 4_676 ?
O2 Er2 Er1 37.60(15) . . ?
O2 Er2 Er3 78.92(15) . . ?
O2 Er2 Er4 35.81(14) . . ?
O2 Er2 N1B 132.4(2) . 1_545 ?
O4 Er2 N2 127.3(2) . 1_545 ?
O4 Er2 N4 80.1(2) . 4_676 ?
O4 Er2 Er1 78.23(15) . . ?
O4 Er2 Er3 39.06(15) . . ?
O4 Er2 Er4 34.68(15) . . ?
O4 Er2 O1 72.2(2) . . ?
O4 Er2 O2 68.3(2) . . ?
O4 Er2 O1A 140.7(2) . 2_546 ?
O4 Er2 N1B 139.1(2) . 1_545 ?
O1A Er2 N2 73.8(3) 2_546 1_545 ?
O1A Er2 N4 103.3(3) 2_546 4_676 ?
O1A Er2 Er1 65.92(18) 2_546 . ?
O1A Er2 Er3 124.67(19) 2_546 . ?
O1A Er2 Er4 109.07(18) 2_546 . ?
O1A Er2 O1 88.4(2) 2_546 . ?
O1A Er2 O2 73.5(2) 2_546 . ?
O1A Er2 N1B 75.6(3) 2_546 1_545 ?
N1B Er2 Er1 141.45(18) 1_545 . ?
N1B Er2 Er3 148.6(2) 1_545 . ?
N1B Er2 Er4 140.59(19) 1_545 . ?
O1C Er2 N2 74.6(3) . 1_545 ?
O1C Er2 N4 88.6(2) . 4_676 ?
O1C Er2 Er1 137.74(17) . . ?
O1C Er2 Er3 76.02(16) . . ?
O1C Er2 Er4 108.73(17) . . ?
O1C Er2 O1 100.6(2) . . ?
O1C Er2 O2 144.3(2) . . ?
O1C Er2 O4 76.2(2) . . ?
O1C Er2 O1A 142.2(2) . 2_546 ?
O1C Er2 N1B 74.6(3) . 1_545 ?
N5 Er3 Er1 157.72(19) 3_676 . ?
N5 Er3 Er2 140.6(2) 3_676 . ?
N5 Er3 Er4 134.64(18) 3_676 . ?
Er2 Er3 Er1 58.396(12) . . ?
Er2 Er3 Er4 60.985(13) . . ?
Er4 Er3 Er1 59.093(14) . . ?
O1 Er3 N5 146.3(2) . 3_676 ?
O1 Er3 Er1 35.17(16) . . ?
O1 Er3 Er2 37.93(15) . . ?
O1 Er3 Er4 78.07(16) . . ?
O1 Er3 O3 69.1(2) . . ?
O1 Er3 O4 72.0(2) . . ?
O1 Er3 O1M 75.0(3) . . ?
O1 Er3 O2M 112.4(2) . . ?
O1 Er3 O2C 86.0(2) . . ?
O3 Er3 N5 139.8(3) . 3_676 ?
O3 Er3 Er1 35.50(15) . . ?
O3 Er3 Er2 77.24(15) . . ?
O3 Er3 Er4 37.84(15) . . ?
O3 Er3 O4 69.3(2) . . ?
O3 Er3 O1M 117.1(2) . . ?
O3 Er3 O2M 71.6(2) . . ?
O4 Er3 N5 127.6(2) . 3_676 ?
O4 Er3 Er1 74.20(14) . . ?
O4 Er3 Er2 38.22(15) . . ?
O4 Er3 Er4 34.90(15) . . ?
O4 Er3 O2M 135.5(3) . . ?
O1M Er3 N5 74.6(3) . 3_676 ?
O1M Er3 Er1 90.64(19) . . ?
O1M Er3 Er2 103.1(2) . . ?
O1M Er3 Er4 149.67(19) . . ?
O1M Er3 O4 140.8(3) . . ?
O1M Er3 O2M 77.1(3) . . ?
O2M Er3 N5 74.5(3) . 3_676 ?
O2M Er3 Er1 86.14(17) . . ?
O2M Er3 Er2 144.48(17) . . ?
O2M Er3 Er4 100.9(2) . . ?
O2C Er3 N5 75.0(3) . 3_676 ?
O2C Er3 Er1 119.79(18) . . ?
O2C Er3 Er2 65.90(18) . . ?
O2C Er3 Er4 111.05(17) . . ?
O2C Er3 O3 142.1(2) . . ?
O2C Er3 O4 76.3(2) . . ?
O2C Er3 O1M 80.9(3) . . ?
O2C Er3 O2M 146.1(3) . . ?
O1D Er3 N5 68.2(3) . 3_676 ?
O1D Er3 Er1 119.09(17) . . ?
O1D Er3 Er2 115.27(18) . . ?
O1D Er3 Er4 66.68(17) . . ?
O1D Er3 O1 144.6(2) . . ?
O1D Er3 O3 84.2(2) . . ?
O1D Er3 O4 77.2(2) . . ?
O1D Er3 O1M 139.7(3) . . ?
O1D Er3 O2M 78.5(3) . . ?
O1D Er3 O2C 103.4(2) . . ?
N3 Er4 Er1 135.20(19) 4_686 . ?
N3 Er4 Er2 158.8(2) 4_686 . ?
N3 Er4 Er3 140.1(2) 4_686 . ?
Er1 Er4 Er2 57.981(11) . . ?
Er1 Er4 Er3 60.859(13) . . ?
Er2 Er4 Er3 57.819(10) . . ?
O2 Er4 N3 140.4(2) . 4_686 ?
O2 Er4 Er1 35.34(15) . . ?
O2 Er4 Er2 36.36(15) . . ?
O2 Er4 Er3 76.43(15) . . ?
O2 Er4 O3 69.3(2) . . ?
O2 Er4 O3M 117.7(2) . . ?
O2 Er4 O4M 73.3(2) . . ?
O3 Er4 N3 127.1(3) . 4_686 ?
O3 Er4 Er1 37.49(14) . . ?
O3 Er4 Er2 73.84(15) . . ?
O3 Er4 Er3 36.24(15) . . ?
O4 Er4 N3 147.0(2) . 4_686 ?
O4 Er4 Er1 76.32(15) . . ?
O4 Er4 Er2 35.19(15) . . ?
O4 Er4 Er3 36.17(16) . . ?
O4 Er4 O2 69.3(2) . . ?
O4 Er4 O3 69.0(2) . . ?
O4 Er4 O3M 80.0(2) . . ?
O4 Er4 O4M 116.8(3) . . ?
O3M Er4 N3 72.5(3) . 4_686 ?
O3M Er4 Er1 149.88(18) . . ?
O3M Er4 Er2 92.05(18) . . ?
O3M Er4 Er3 107.8(2) . . ?
O3M Er4 O3 143.4(2) . . ?
O4M Er4 N3 73.3(3) . 4_686 ?
O4M Er4 Er1 99.70(19) . . ?
O4M Er4 Er2 88.9(2) . . ?
O4M Er4 Er3 146.4(2) . . ?
O4M Er4 O3 136.6(2) . . ?
O4M Er4 O3M 74.7(3) . . ?
O2B Er4 N3 66.6(3) . 4_686 ?
O2B Er4 Er1 68.61(19) . . ?
O2B Er4 Er2 123.83(19) . . ?
O2B Er4 Er3 110.14(18) . . ?
O2B Er4 O2 89.0(2) . . ?
O2B Er4 O3 74.4(2) . . ?
O2B Er4 O4 142.1(2) . . ?
O2B Er4 O3M 137.8(3) . . ?
O2B Er4 O4M 83.8(3) . . ?
O2D Er4 N3 70.1(3) . 4_686 ?
O2D Er4 Er1 113.96(19) . . ?
O2D Er4 Er2 123.83(19) . . ?
O2D Er4 Er3 70.28(19) . . ?
O2D Er4 O2 144.7(2) . . ?
O2D Er4 O3 77.0(2) . . ?
O2D Er4 O4 89.5(2) . . ?
O2D Er4 O3M 84.0(3) . . ?
O2D Er4 O4M 141.7(3) . . ?
O2D Er4 O2B 91.7(3) . . ?
Er1 O1 H1 112.7 . . ?
Er2 O1 Er1 102.6(2) . . ?
Er2 O1 H1 112.7 . . ?
Er3 O1 Er1 110.7(3) . . ?
Er3 O1 Er2 104.8(2) . . ?
Er3 O1 H1 112.7 . . ?
Er1 O2 Er2 103.6(2) . . ?
Er1 O2 Er4 108.8(2) . . ?
Er1 O2 H2 112.1 . . ?
Er2 O2 H2 112.1 . . ?
Er4 O2 Er2 107.8(2) . . ?
Er4 O2 H2 112.1 . . ?
Er1 O3 Er4 103.8(2) . . ?
Er1 O3 H3 112.4 . . ?
Er3 O3 Er1 109.4(2) . . ?
Er3 O3 Er4 105.9(2) . . ?
Er3 O3 H3 112.4 . . ?
Er4 O3 H3 112.4 . . ?
Er2 O4 Er3 102.7(2) . . ?
Er2 O4 H4 111.6 . . ?
Er3 O4 H4 111.6 . . ?
Er4 O4 Er2 110.1(2) . . ?
Er4 O4 Er3 108.9(3) . . ?
Er4 O4 H4 111.6 . . ?
C1A O1A Er2 127.0(7) . 2_556 ?
C1A O2A Er1 124.1(6) . 2_556 ?
O1A C1A O2A 125.3(9) . . ?
O1A C1A C2A 118.5(10) . . ?
O2A C1A C2A 116.1(9) . . ?
C3A C2A C1A 122.9(10) . . ?
C3A C2A C5A 119.7(9) . . ?
C5A C2A C1A 117.4(10) . . ?
C2A C3A H3A 121.0 . . ?
C2A C3A C4A 118.1(11) . . ?
C4A C3A H3A 121.0 . . ?
C3A C4A H4A 117.7 . . ?
N1A C4A C3A 124.7(11) . . ?
N1A C4A H4A 117.7 . . ?
C2A C5A H5A 120.8 . . ?
C6A C5A C2A 118.3(10) . . ?
C6A C5A H5A 120.8 . . ?
C5A C6A H6A 118.8 . . ?
N1A C6A C5A 122.3(10) . . ?
N1A C6A H6A 118.8 . . ?
C4A N1A Er1 126.3(7) . . ?
C4A N1A C6A 116.8(9) . . ?
C6A N1A Er1 116.9(6) . . ?
C1B O1B Er1 129.8(6) . . ?
C1B O2B Er4 131.1(7) . . ?
O1B C1B C2B 117.3(9) . . ?
O2B C1B O1B 124.6(10) . . ?
O2B C1B C2B 118.1(9) . . ?
C3B C2B C1B 119.5(9) . . ?
C3B C2B C5B 119.1(10) . . ?
C5B C2B C1B 121.1(9) . . ?
C2B C3B H3B 120.6 . . ?
C2B C3B C4B 118.8(10) . . ?
C4B C3B H3B 120.6 . . ?
C3B C4B H4B 118.7 . . ?
N1B C4B C3B 122.6(10) . . ?
N1B C4B H4B 118.7 . . ?
C2B C5B H5B 121.5 . . ?
C2B C5B C6B 116.9(9) . . ?
C6B C5B H5B 121.5 . . ?
C5B C6B H6B 117.7 . . ?
N1B C6B C5B 124.6(9) . . ?
N1B C6B H6B 117.7 . . ?
C4B N1B Er2 120.4(7) . 1_565 ?
C6B N1B Er2 121.6(7) . 1_565 ?
C6B N1B C4B 117.7(9) . . ?
C1C O1C Er2 126.7(6) . . ?
C1C O2C Er3 139.5(6) . . ?
O1C C1C C2C 115.5(9) . . ?
O2C C1C O1C 125.5(9) . . ?
O2C C1C C2C 119.0(9) . . ?
C3C C2C C1C 121.5(9) . . ?
C5C C2C C1C 119.5(9) . . ?
C5C C2C C3C 119.0(10) . . ?
C2C C3C H3C 120.8 . . ?
C4C C3C C2C 118.4(10) . . ?
C4C C3C H3C 120.8 . . ?
C3C C4C H4C 118.4 . . ?
N1C C4C C3C 123.2(10) . . ?
N1C C4C H4C 118.4 . . ?
C2C C5C H5C 121.0 . . ?
C2C C5C C6C 118.1(10) . . ?
C6C C5C H5C 121.0 . . ?
C5C C6C H6C 118.7 . . ?
N1C C6C C5C 122.7(10) . . ?
N1C C6C H6C 118.7 . . ?
C6C N1C C4C 118.5(10) . . ?
C1D O1D Er3 134.7(6) . . ?
C1D O2D Er4 132.3(7) . . ?
O1D C1D C2D 114.6(8) . . ?
O2D C1D O1D 126.6(9) . . ?
O2D C1D C2D 118.6(9) . . ?
C3D C2D C1D 120.5(8) . . ?
C5D C2D C1D 120.0(8) . . ?
C5D C2D C3D 119.5(9) . . ?
C2D C3D H3D 121.3 . . ?
C2D C3D C4D 117.5(9) . . ?
C4D C3D H3D 121.3 . . ?
C3D C4D H4D 118.7 . . ?
N1D C4D C3D 122.7(9) . . ?
N1D C4D H4D 118.7 . . ?
C2D C5D H5D 120.1 . . ?
C2D C5D C6D 119.8(9) . . ?
C6D C5D H5D 120.1 . . ?
C5D C6D H6D 119.8 . . ?
N1D C6D C5D 120.5(9) . . ?
N1D C6D H6D 119.8 . . ?
C4D N1D C6D 120.1(8) . . ?
O10W O9W O9W 159(5) . 3_676 ?

_refine_diff_density_max         2.308
_refine_diff_density_min         -2.838
_refine_diff_density_rms         0.388



####################################################################### 
# 
# 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. 
# 
#######################################################################

data_li83eu
_database_code_depnum_ccdc_archive 'CCDC 1904281'
loop_
_audit_author_name
_audit_author_address
'Denis Samsonenko'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H42 Eu4 N10 O23 Re6 S8'
_chemical_formula_weight         2892.25

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0050 0.0020 '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 0.0090 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0150 0.0080 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1500 0.1580 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu 0.0280 4.6530 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.6850 8.6400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.6868(15)
_cell_length_b                   12.4553(11)
_cell_length_c                   23.6524(17)
_cell_angle_alpha                90
_cell_angle_beta                 110.984(3)
_cell_angle_gamma                90
_cell_volume                     6240.2(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3200
_cell_measurement_theta_min      3.50
_cell_measurement_theta_max      25.0

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.079
_exptl_crystal_F_000             5224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    21.733
_shelx_estimated_absorpt_T_min   0.074
_shelx_estimated_absorpt_T_max   0.275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.100
_exptl_absorpt_correction_T_max  0.200
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_absorpt_special_details   ?

_diffrn_radiation_source         synchrotron
_diffrn_radiation_monochromator  'Double Crystal Monochromator'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.80246
_diffrn_radiation_type           synchrotron
_diffrn_source                   synchrotron
_diffrn_measurement_device_type  'Rayonix SX-165 CCD'
_diffrn_measurement_method       'φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            72220
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_av_R_equivalents  0.0705
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.248
_diffrn_reflns_theta_max         29.691
_diffrn_reflns_theta_full        28.500
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             12242
_reflns_number_gt                11939
_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.
 
 _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       'Marccd (Doyle, 2011)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_reduction        'iMosflm (Battye et al., 2011)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0170P)²+112.3000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12242
_refine_ls_number_parameters     884
_refine_ls_number_restraints     501
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.0940
_refine_ls_wR_factor_gt          0.0932
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.002
_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
Re1 Re 0.31003(2) 1.09221(2) 0.57275(2) 0.00947(8) Uani 1 1 d . . . . .
Re2 Re 0.33129(2) 1.29625(2) 0.58872(2) 0.00996(8) Uani 1 1 d . . . . .
Re3 Re 0.23167(2) 1.33736(3) 0.49415(2) 0.01053(8) Uani 1 1 d . . . . .
Re4 Re 0.21068(2) 1.13223(3) 0.47795(2) 0.01015(8) Uani 1 1 d . . . . .
Re5 Re 0.31955(2) 1.21079(3) 0.48535(2) 0.01028(8) Uani 1 1 d . . . . .
Re6 Re 0.22242(2) 1.21922(3) 0.58133(2) 0.00951(8) Uani 1 1 d . . . . .
S1 S 0.40756(9) 1.17313(17) 0.57652(9) 0.0135(4) Uani 1 1 d . . . . .
S2 S 0.33525(10) 1.40002(16) 0.50460(9) 0.0146(4) Uani 1 1 d . . . . .
S3 S 0.22371(10) 1.24704(17) 0.40155(8) 0.0157(4) Uani 1 1 d . . . . .
S4 S 0.29622(10) 1.02166(16) 0.47395(9) 0.0148(4) Uani 1 1 d . . . . .
S5 S 0.31837(10) 1.18252(17) 0.66511(8) 0.0143(4) Uani 1 1 d . . . . .
S6 S 0.24674(10) 1.40751(16) 0.59332(9) 0.0143(4) Uani 1 1 d . . . . .
S7 S 0.13447(9) 1.25523(17) 0.49001(9) 0.0146(4) Uani 1 1 d . . . . .
S8 S 0.20613(9) 1.02998(16) 0.56255(9) 0.0136(4) Uani 1 1 d . . . . .
C1 C 0.3543(4) 0.9546(7) 0.6221(4) 0.0153(16) Uani 1 1 d . . . . .
N1 N 0.3769(4) 0.8829(6) 0.6535(3) 0.0189(15) Uani 1 1 d . . . . .
C2 C 0.4005(4) 1.3860(7) 0.6536(4) 0.0170(17) Uani 1 1 d . . . . .
N2 N 0.4393(4) 1.4321(6) 0.6915(3) 0.0202(16) Uani 1 1 d . . . . .
C3 C 0.1852(4) 1.4792(7) 0.4502(4) 0.0181(17) Uani 1 1 d . . . . .
N3 N 0.1594(3) 1.5547(6) 0.4264(3) 0.0203(16) Uani 1 1 d . . . . .
C4 C 0.1403(4) 1.0384(7) 0.4141(4) 0.0164(17) Uani 1 1 d . . . . .
N4 N 0.1008(4) 0.9919(6) 0.3784(3) 0.0213(16) Uani 1 1 d . . . . .
C5 C 0.3781(4) 1.2138(7) 0.4318(4) 0.0183(18) Uani 1 1 d . . . . .
N5 N 0.4094(4) 1.2217(7) 0.4037(4) 0.0260(18) Uani 1 1 d . . . . .
C6 C 0.1661(4) 1.2283(7) 0.6361(4) 0.0166(17) Uani 1 1 d . . . . .
N6 N 0.1364(4) 1.2348(7) 0.6671(3) 0.0244(17) Uani 1 1 d . . . . .
Eu1 Eu 0.40533(2) 0.76799(4) 0.74721(2) 0.01656(10) Uani 1 1 d . . . . .
Eu2 Eu 0.51201(2) 0.53444(3) 0.77940(2) 0.01204(9) Uani 1 1 d . . . . .
Eu3 Eu 0.53711(2) 0.75535(3) 0.67604(2) 0.01426(9) Uani 1 1 d . . . . .
Eu4 Eu 0.58660(2) 0.81062(4) 0.84417(2) 0.01742(10) Uani 1 1 d D . . . .
O1 O 0.4594(3) 0.6588(5) 0.6989(2) 0.0143(12) Uani 1 1 d . . . . .
H1 H 0.429469 0.621504 0.662419 0.017 Uiso 1 1 calc R U . . .
O2 O 0.4948(3) 0.6956(5) 0.8276(2) 0.0136(11) Uani 1 1 d . . . . .
H2 H 0.486068 0.681293 0.865484 0.016 Uiso 1 1 calc R U . . .
O3 O 0.5043(3) 0.8483(5) 0.7471(3) 0.0180(12) Uani 1 1 d . . . . .
H3 H 0.499750 0.927043 0.738471 0.022 Uiso 1 1 calc R U . . .
O4 O 0.5825(3) 0.6722(5) 0.7754(3) 0.0148(12) Uani 1 1 d . . . . .
H4 H 0.625507 0.642787 0.782191 0.018 Uiso 1 1 calc R U . . .
O1M O 0.3234(5) 0.6654(9) 0.6589(5) 0.069(3) Uani 1 1 d D U . . .
O2M O 0.5220(5) 0.3376(8) 0.8069(5) 0.070(3) Uani 1 1 d . U . . .
O3M O 0.4514(4) 0.7321(9) 0.5792(4) 0.051(2) Uani 1 1 d . U . . .
O4M O 0.5185(4) 0.9424(6) 0.6396(4) 0.0392(19) Uani 1 1 d . . . . .
O5M O 0.6910(5) 0.7226(10) 0.8866(5) 0.034(2) Uani 0.708(10) 1 d D U P A 1
O5M' O 0.6969(8) 0.769(2) 0.8627(12) 0.024(3) Uani 0.292(10) 1 d D U P A 2
O6M O 0.6041(4) 0.7266(6) 0.9408(3) 0.0355(18) Uani 1 1 d . . . . .
O1A O 0.1146(5) 1.0688(8) 0.7398(4) 0.053(2) Uani 1 1 d . U . . .
O2A O 0.0595(5) 0.9585(9) 0.6704(5) 0.060(2) Uani 1 1 d . U . . .
C1A C 0.1086(7) 0.9971(11) 0.7053(6) 0.048(2) Uani 1 1 d . U . . .
C2A C 0.1723(6) 0.9452(10) 0.7077(6) 0.043(2) Uani 1 1 d . U . . .
C3A C 0.2274(6) 1.0023(10) 0.7288(5) 0.039(2) Uani 1 1 d . U . . .
H3A H 0.227015 1.075163 0.740499 0.046 Uiso 1 1 calc R U . . .
C4A C 0.2845(6) 0.9532(9) 0.7332(5) 0.035(2) Uani 1 1 d . U . . .
H4A H 0.321917 0.995353 0.746673 0.042 Uiso 1 1 calc R U . . .
C5A C 0.1741(6) 0.8424(11) 0.6892(7) 0.050(3) Uani 1 1 d . U . . .
H5A H 0.136375 0.802060 0.671571 0.060 Uiso 1 1 calc R U . . .
C6A C 0.2341(6) 0.7969(11) 0.6969(6) 0.046(3) Uani 1 1 d . U . . .
H6A H 0.235624 0.724162 0.685352 0.056 Uiso 1 1 calc R U . . .
N1A N 0.2890(4) 0.8517(7) 0.7196(4) 0.0311(18) Uani 1 1 d . U . . .
O1B O 0.4223(3) 0.9261(6) 0.8072(3) 0.0300(16) Uani 1 1 d . . . . .
O2B O 0.5228(3) 0.9376(7) 0.8682(3) 0.0381(19) Uani 1 1 d . . . . .
C1B C 0.4658(5) 0.9593(8) 0.8530(5) 0.028(2) Uani 1 1 d . U . . .
C2B C 0.4477(5) 1.0314(10) 0.8948(5) 0.037(2) Uani 1 1 d . U . . .
C3B C 0.3855(5) 1.0392(10) 0.8912(5) 0.038(2) Uani 1 1 d . U . . .
H3B H 0.352958 1.000883 0.861206 0.045 Uiso 1 1 calc R U . . .
C4B C 0.3722(6) 1.1044(11) 0.9327(6) 0.043(2) Uani 1 1 d . U . . .
H4B H 0.329640 1.109378 0.930556 0.051 Uiso 1 1 calc R U . . .
C5B C 0.4929(6) 1.0903(13) 0.9380(7) 0.059(3) Uani 1 1 d . U . . .
H5B H 0.535639 1.087708 0.940504 0.071 Uiso 1 1 calc R U . . .
C6B C 0.4762(7) 1.1526(14) 0.9775(8) 0.068(3) Uani 1 1 d . U . . .
H6B H 0.508226 1.191812 1.007545 0.082 Uiso 1 1 calc R U . . .
N1B N 0.4162(5) 1.1607(10) 0.9755(5) 0.054(3) Uani 1 1 d . U . . .
O1C O 0.5746(4) 0.4574(6) 0.7296(4) 0.0354(17) Uani 1 1 d . U . . .
O2C O 0.5658(4) 0.5784(6) 0.6561(4) 0.0379(18) Uani 1 1 d . U . . .
C1C C 0.5817(6) 0.4894(10) 0.6825(6) 0.041(2) Uani 1 1 d D U . . .
C2C C 0.6251(6) 0.4205(11) 0.6612(6) 0.045(3) Uani 0.708(10) 1 d D U P A 1
C3C C 0.6354(8) 0.3136(13) 0.6814(8) 0.047(3) Uani 0.708(10) 1 d D U P A 1
H3C H 0.617054 0.285493 0.708613 0.056 Uiso 0.708(10) 1 calc R U P A 1
C4C C 0.6730(9) 0.2514(15) 0.6600(9) 0.052(3) Uani 0.708(10) 1 d D U P A 1
H4C H 0.677779 0.177634 0.670997 0.062 Uiso 0.708(10) 1 calc R U P A 1
C5C C 0.6543(9) 0.4607(15) 0.6224(9) 0.049(3) Uani 0.708(10) 1 d D U P A 1
H5C H 0.647634 0.532639 0.608186 0.059 Uiso 0.708(10) 1 calc R U P A 1
C6C C 0.6928(9) 0.3925(13) 0.6054(9) 0.048(3) Uani 0.708(10) 1 d D U P A 1
H6C H 0.712900 0.419281 0.579242 0.058 Uiso 0.708(10) 1 calc R U P A 1
N1C N 0.7036(8) 0.2891(11) 0.6242(7) 0.049(3) Uani 0.708(10) 1 d D U P A 1
C2C' C 0.6031(9) 0.401(2) 0.6495(10) 0.049(3) Uani 0.292(10) 1 d D U P A 2
C3C' C 0.5959(19) 0.290(2) 0.6555(18) 0.051(4) Uani 0.292(10) 1 d D U P A 2
H3C' H 0.578120 0.266569 0.684066 0.061 Uiso 0.292(10) 1 calc R U P A 2
C4C' C 0.6133(19) 0.215(3) 0.6222(18) 0.053(4) Uani 0.292(10) 1 d D U P A 2
H4C' H 0.603572 0.140926 0.624341 0.064 Uiso 0.292(10) 1 calc R U P A 2
C5C' C 0.633(2) 0.437(3) 0.6102(18) 0.049(4) Uani 0.292(10) 1 d D U P A 2
H5C' H 0.638946 0.510878 0.603669 0.059 Uiso 0.292(10) 1 calc R U P A 2
C6C' C 0.652(2) 0.355(3) 0.582(2) 0.053(4) Uani 0.292(10) 1 d D U P A 2
H6C' H 0.673867 0.376628 0.555977 0.064 Uiso 0.292(10) 1 calc R U P A 2
N1C' N 0.6447(18) 0.248(3) 0.5861(17) 0.056(4) Uani 0.292(10) 1 d D U P A 2
O1D O 0.6359(3) 0.8341(6) 0.7245(3) 0.0281(15) Uani 1 1 d D U . . .
O2D O 0.6389(6) 0.9414(10) 0.8019(5) 0.038(3) Uani 0.708(10) 1 d D U P A 1
O2D' O 0.6223(14) 0.9477(15) 0.7885(12) 0.034(4) Uani 0.292(10) 1 d D U P A 2
C1D C 0.6545(5) 0.9148(7) 0.7581(4) 0.0255(18) Uani 1 1 d D U . . .
C2D C 0.7037(4) 0.9829(8) 0.7466(4) 0.0215(17) Uani 1 1 d . U . . .
C3D C 0.7260(5) 0.9548(8) 0.7011(4) 0.0243(18) Uani 1 1 d . U . . .
H3D H 0.709409 0.893856 0.676380 0.029 Uiso 1 1 calc R U . . .
C4D C 0.7720(5) 1.0155(9) 0.6921(5) 0.033(2) Uani 1 1 d . U . . .
H4D H 0.786745 0.995745 0.660698 0.040 Uiso 1 1 calc R U . . .
C5D C 0.7292(6) 1.0695(10) 0.7820(6) 0.042(2) Uani 1 1 d . U . . .
H5D H 0.715561 1.089509 0.814048 0.051 Uiso 1 1 calc R U . . .
C6D C 0.7751(7) 1.1275(11) 0.7703(7) 0.055(3) Uani 1 1 d . U . . .
H6D H 0.792259 1.188502 0.794736 0.066 Uiso 1 1 calc R U . . .
N1D N 0.7972(6) 1.1026(9) 0.7261(5) 0.050(2) Uani 1 1 d . U . . .
O1W O 0.4866(5) 1.0774(7) 0.7200(4) 0.049(2) Uani 1 1 d . . . . .
O2W O 0.5784(6) 1.1387(11) 0.8277(6) 0.043(3) Uani 0.6 1 d . . P . .
O3W O 0.5093(10) 0.5962(13) 0.9493(6) 0.045(4) Uani 0.5 1 d . . P . .
O4W O 0.2335(17) 0.780(3) 0.5195(18) 0.020(4) Uani 0.2 1 d . U P . .
O5W O 0.2401(16) 0.783(2) 0.4915(16) 0.020(4) Uani 0.2 1 d . U P . .
O6W O 0.3314(11) 0.6569(18) 0.5510(8) 0.033(5) Uani 0.3 1 d D U P . .
O7W O 0.2476(17) 0.751(3) 0.5380(15) 0.020(4) Uani 0.2 1 d . U P . .
O9W O 0.0068(12) 0.8818(19) 0.5654(10) 0.068(6) Uani 0.5 1 d . U P . .
O10W O 0.5416(19) 0.256(3) 0.5310(17) 0.052(9) Uani 0.25 1 d . U P . .
O11W O 0.496(3) 0.426(5) 0.546(2) 0.086(15) Uani 0.25 1 d . U P . .
O12W O 0.479(2) 0.525(4) 0.5373(19) 0.065(11) Uani 0.25 1 d . U P . .
O13W O 0.536(2) 1.011(3) 0.5331(18) 0.053(9) Uani 0.25 1 d . U P . .
O14W O 0.575(2) 0.048(3) 0.5670(18) 0.055(9) Uani 0.25 1 d . U P . .
O15W O 0.5474(17) 0.053(3) 0.4850(15) 0.046(8) Uani 0.25 1 d . U P . .


_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
Re1 Re2 2.5892(5) . ?
Re1 Re4 2.5955(4) . ?
Re1 Re5 2.6117(4) . ?
Re1 Re6 2.6044(5) . ?
Re1 S1 2.404(2) . ?
Re1 S4 2.4097(19) . ?
Re1 S5 2.403(2) . ?
Re1 S8 2.410(2) . ?
Re1 C1 2.114(9) . ?
Re2 Re3 2.5986(4) . ?
Re2 Re5 2.5914(4) . ?
Re2 Re6 2.5964(5) . ?
Re2 S1 2.406(2) . ?
Re2 S2 2.401(2) . ?
Re2 S5 2.395(2) . ?
Re2 S6 2.400(2) . ?
Re2 C2 2.084(9) . ?
Re3 Re4 2.6020(5) . ?
Re3 Re5 2.6079(5) . ?
Re3 Re6 2.6019(4) . ?
Re3 S2 2.403(2) . ?
Re3 S3 2.411(2) . ?
Re3 S6 2.410(2) . ?
Re3 S7 2.401(2) . ?
Re3 C3 2.128(9) . ?
Re4 Re5 2.6037(5) . ?
Re4 Re6 2.5993(4) . ?
Re4 S3 2.404(2) . ?
Re4 S4 2.409(2) . ?
Re4 S7 2.402(2) . ?
Re4 S8 2.4051(19) . ?
Re4 C4 2.114(8) . ?
Re5 S1 2.4026(19) . ?
Re5 S2 2.403(2) . ?
Re5 S3 2.403(2) . ?
Re5 S4 2.408(2) . ?
Re5 C5 2.141(9) . ?
Re6 S5 2.405(2) . ?
Re6 S6 2.403(2) . ?
Re6 S7 2.4002(19) . ?
Re6 S8 2.403(2) . ?
Re6 C6 2.124(9) . ?
C1 N1 1.158(11) . ?
N1 Eu1 2.521(7) . ?
C2 N2 1.159(12) . ?
N2 Eu2 2.493(7) 1_565 ?
C3 N3 1.143(12) . ?
N3 Eu4 2.650(7) 4_585 ?
C4 N4 1.144(11) . ?
N4 Eu2 2.504(7) 4_575 ?
C5 N5 1.135(12) . ?
N5 Eu3 2.599(8) 3_676 ?
C6 N6 1.162(12) . ?
N6 Eu1 2.560(8) 2_556 ?
Eu1 Eu2 3.6850(6) . ?
Eu1 Eu3 3.9243(6) . ?
Eu1 Eu4 3.9622(6) . ?
Eu1 O1 2.380(6) . ?
Eu1 O2 2.406(6) . ?
Eu1 O3 2.460(6) . ?
Eu1 O1M 2.583(11) . ?
Eu1 O1A 2.560(10) 2_546 ?
Eu1 N1A 2.692(8) . ?
Eu1 O1B 2.377(7) . ?
Eu2 O1 2.414(6) . ?
Eu2 O2 2.409(6) . ?
Eu2 O4 2.370(6) . ?
Eu2 O2M 2.525(10) . ?
Eu2 O1A 2.775(11) 2_546 ?
Eu2 O2A 2.513(10) 2_546 ?
Eu2 C1A 2.923(14) 2_546 ?
Eu2 O1C 2.350(7) . ?
Eu2 C1C 3.265(12) . ?
Eu3 Eu4 3.7883(6) . ?
Eu3 O1 2.351(6) . ?
Eu3 O3 2.369(6) . ?
Eu3 O4 2.433(6) . ?
Eu3 O3M 2.433(8) . ?
Eu3 O4M 2.467(8) . ?
Eu3 O2C 2.392(7) . ?
Eu3 O1D 2.336(6) . ?
Eu4 O2 2.441(6) . ?
Eu4 O3 2.430(6) . ?
Eu4 O4 2.350(6) . ?
Eu4 O5M 2.474(10) . ?
Eu4 O5M' 2.436(16) . ?
Eu4 O6M 2.413(8) . ?
Eu4 O2B 2.348(7) . ?
Eu4 O2D 2.430(10) . ?
Eu4 O2D' 2.464(17) . ?
Eu4 C1D 3.232(9) . ?
O1 H1 1.0000 . ?
O2 H2 1.0000 . ?
O3 H3 1.0000 . ?
O4 H4 1.0000 . ?
O1A C1A 1.184(17) . ?
O2A C1A 1.222(18) . ?
C1A C2A 1.565(18) . ?
C2A C3A 1.368(19) . ?
C2A C5A 1.359(19) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.402(15) . ?
C4A H4A 0.9500 . ?
C4A N1A 1.317(15) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.426(17) . ?
C6A H6A 0.9500 . ?
C6A N1A 1.351(17) . ?
O1B C1B 1.246(12) . ?
O2B C1B 1.242(12) . ?
C1B C2B 1.497(13) . ?
C2B C3B 1.385(15) . ?
C2B C5B 1.372(16) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.388(15) . ?
C4B H4B 0.9500 . ?
C4B N1B 1.337(15) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.367(17) . ?
C6B H6B 0.9500 . ?
C6B N1B 1.350(17) . ?
O1C C1C 1.247(14) . ?
O2C C1C 1.260(15) . ?
C1C C2C 1.522(18) . ?
C1C C2C' 1.523(19) . ?
C2C C3C 1.405(14) . ?
C2C C5C 1.403(14) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.376(17) . ?
C4C H4C 0.9500 . ?
C4C N1C 1.357(15) . ?
C5C H5C 0.9500 . ?
C5C C6C 1.378(17) . ?
C6C H6C 0.9500 . ?
C6C N1C 1.356(15) . ?
C2C' C3C' 1.403(16) . ?
C2C' C5C' 1.403(16) . ?
C3C' H3C' 0.9500 . ?
C3C' C4C' 1.376(18) . ?
C4C' H4C' 0.9500 . ?
C4C' N1C' 1.357(17) . ?
C5C' H5C' 0.9500 . ?
C5C' C6C' 1.377(18) . ?
C6C' H6C' 0.9500 . ?
C6C' N1C' 1.357(17) . ?
O1D C1D 1.257(8) . ?
O2D C1D 1.254(9) . ?
O2D' C1D 1.261(10) . ?
C1D C2D 1.503(12) . ?
C2D C3D 1.387(12) . ?
C2D C5D 1.361(14) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.365(14) . ?
C4D H4D 0.9500 . ?
C4D N1D 1.350(14) . ?
C5D H5D 0.9500 . ?
C5D C6D 1.374(17) . ?
C6D H6D 0.9500 . ?
C6D N1D 1.347(15) . ?
O13W O14W 1.06(5) 1_565 ?
O13W O15W 1.36(5) 1_565 ?

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
Re2 Re1 Re4 89.786(13) . . ?
Re2 Re1 Re5 59.769(12) . . ?
Re2 Re1 Re6 59.990(12) . . ?
Re4 Re1 Re5 60.001(12) . . ?
Re4 Re1 Re6 59.984(12) . . ?
Re6 Re1 Re5 89.992(14) . . ?
S1 Re1 Re2 57.46(5) . . ?
S1 Re1 Re4 117.04(5) . . ?
S1 Re1 Re5 57.06(5) . . ?
S1 Re1 Re6 117.41(5) . . ?
S1 Re1 S4 89.26(7) . . ?
S1 Re1 S8 173.16(7) . . ?
S4 Re1 Re2 116.88(5) . . ?
S4 Re1 Re4 57.40(5) . . ?
S4 Re1 Re5 57.15(5) . . ?
S4 Re1 Re6 117.34(5) . . ?
S4 Re1 S8 90.16(7) . . ?
S5 Re1 Re2 57.19(5) . . ?
S5 Re1 Re4 117.17(5) . . ?
S5 Re1 Re5 116.92(5) . . ?
S5 Re1 Re6 57.24(5) . . ?
S5 Re1 S1 89.90(7) . . ?
S5 Re1 S4 173.03(7) . . ?
S5 Re1 S8 89.85(7) . . ?
S8 Re1 Re2 117.05(5) . . ?
S8 Re1 Re4 57.29(5) . . ?
S8 Re1 Re5 117.25(5) . . ?
S8 Re1 Re6 57.10(5) . . ?
C1 Re1 Re2 133.5(2) . . ?
C1 Re1 Re4 136.6(2) . . ?
C1 Re1 Re5 137.5(2) . . ?
C1 Re1 Re6 132.4(2) . . ?
C1 Re1 S1 94.0(2) . . ?
C1 Re1 S4 96.3(2) . . ?
C1 Re1 S5 90.6(2) . . ?
C1 Re1 S8 92.8(2) . . ?
Re1 Re2 Re3 90.497(13) . . ?
Re1 Re2 Re5 60.549(12) . . ?
Re1 Re2 Re6 60.295(12) . . ?
Re5 Re2 Re3 60.329(12) . . ?
Re5 Re2 Re6 90.618(14) . . ?
Re6 Re2 Re3 60.113(12) . . ?
S1 Re2 Re1 57.40(5) . . ?
S1 Re2 Re3 117.62(5) . . ?
S1 Re2 Re5 57.33(5) . . ?
S1 Re2 Re6 117.65(5) . . ?
S2 Re2 Re1 117.89(5) . . ?
S2 Re2 Re3 57.30(5) . . ?
S2 Re2 Re5 57.38(5) . . ?
S2 Re2 Re6 117.39(5) . . ?
S2 Re2 S1 90.10(7) . . ?
S5 Re2 Re1 57.50(5) . . ?
S5 Re2 Re3 117.53(5) . . ?
S5 Re2 Re5 118.02(5) . . ?
S5 Re2 Re6 57.44(5) . . ?
S5 Re2 S1 90.06(7) . . ?
S5 Re2 S2 173.98(7) . . ?
S5 Re2 S6 89.53(7) . . ?
S6 Re2 Re1 117.60(5) . . ?
S6 Re2 Re3 57.48(5) . . ?
S6 Re2 Re5 117.78(5) . . ?
S6 Re2 Re6 57.32(5) . . ?
S6 Re2 S1 173.91(7) . . ?
S6 Re2 S2 89.68(7) . . ?
C2 Re2 Re1 133.3(2) . . ?
C2 Re2 Re3 136.2(2) . . ?
C2 Re2 Re5 135.3(2) . . ?
C2 Re2 Re6 134.0(2) . . ?
C2 Re2 S1 92.6(2) . . ?
C2 Re2 S2 94.6(2) . . ?
C2 Re2 S5 91.5(2) . . ?
C2 Re2 S6 93.4(2) . . ?
Re2 Re3 Re4 89.436(13) . . ?
Re2 Re3 Re5 59.700(12) . . ?
Re2 Re3 Re6 59.903(12) . . ?
Re4 Re3 Re5 59.967(13) . . ?
Re6 Re3 Re4 59.932(12) . . ?
Re6 Re3 Re5 90.130(14) . . ?
S2 Re3 Re2 57.22(5) . . ?
S2 Re3 Re4 117.04(5) . . ?
S2 Re3 Re5 57.12(5) . . ?
S2 Re3 Re6 117.10(5) . . ?
S2 Re3 S3 89.84(7) . . ?
S2 Re3 S6 89.40(7) . . ?
S3 Re3 Re2 116.69(5) . . ?
S3 Re3 Re4 57.17(5) . . ?
S3 Re3 Re5 57.05(5) . . ?
S3 Re3 Re6 117.06(5) . . ?
S6 Re3 Re2 57.12(5) . . ?
S6 Re3 Re4 117.00(5) . . ?
S6 Re3 Re5 116.79(5) . . ?
S6 Re3 Re6 57.14(5) . . ?
S6 Re3 S3 172.66(7) . . ?
S7 Re3 Re2 117.01(5) . . ?
S7 Re3 Re4 57.23(5) . . ?
S7 Re3 Re5 117.16(5) . . ?
S7 Re3 Re6 57.17(5) . . ?
S7 Re3 S2 172.98(7) . . ?
S7 Re3 S3 89.73(7) . . ?
S7 Re3 S6 90.13(7) . . ?
C3 Re3 Re2 135.3(2) . . ?
C3 Re3 Re4 135.3(2) . . ?
C3 Re3 Re5 136.2(2) . . ?
C3 Re3 Re6 133.7(2) . . ?
C3 Re3 S2 94.4(2) . . ?
C3 Re3 S3 94.6(2) . . ?
C3 Re3 S6 92.7(2) . . ?
C3 Re3 S7 92.7(2) . . ?
Re1 Re4 Re3 90.281(13) . . ?
Re1 Re4 Re5 60.310(12) . . ?
Re1 Re4 Re6 60.178(12) . . ?
Re3 Re4 Re5 60.129(12) . . ?
Re6 Re4 Re3 60.033(12) . . ?
Re6 Re4 Re5 90.282(14) . . ?
S3 Re4 Re1 117.46(5) . . ?
S3 Re4 Re3 57.41(5) . . ?
S3 Re4 Re5 57.18(5) . . ?
S3 Re4 Re6 117.41(5) . . ?
S3 Re4 S4 89.59(7) . . ?
S3 Re4 S8 173.59(7) . . ?
S4 Re4 Re1 57.42(5) . . ?
S4 Re4 Re3 117.36(5) . . ?
S4 Re4 Re5 57.27(5) . . ?
S4 Re4 Re6 117.56(5) . . ?
S7 Re4 Re1 117.34(5) . . ?
S7 Re4 Re3 57.17(5) . . ?
S7 Re4 Re5 117.27(5) . . ?
S7 Re4 Re6 57.19(5) . . ?
S7 Re4 S3 89.85(7) . . ?
S7 Re4 S4 173.42(7) . . ?
S7 Re4 S8 89.53(7) . . ?
S8 Re4 Re1 57.47(5) . . ?
S8 Re4 Re3 117.23(5) . . ?
S8 Re4 Re5 117.74(5) . . ?
S8 Re4 Re6 57.22(5) . . ?
S8 Re4 S4 90.30(7) . . ?
C4 Re4 Re1 135.3(2) . . ?
C4 Re4 Re3 134.4(2) . . ?
C4 Re4 Re5 135.3(2) . . ?
C4 Re4 Re6 134.4(2) . . ?
C4 Re4 S3 93.2(2) . . ?
C4 Re4 S4 94.0(2) . . ?
C4 Re4 S7 92.6(2) . . ?
C4 Re4 S8 93.2(2) . . ?
Re2 Re5 Re1 59.683(13) . . ?
Re2 Re5 Re3 59.971(12) . . ?
Re2 Re5 Re4 89.556(14) . . ?
Re3 Re5 Re1 89.792(14) . . ?
Re4 Re5 Re1 59.689(12) . . ?
Re4 Re5 Re3 59.904(13) . . ?
S1 Re5 Re1 57.11(5) . . ?
S1 Re5 Re2 57.44(5) . . ?
S1 Re5 Re3 117.37(5) . . ?
S1 Re5 Re4 116.77(5) . . ?
S1 Re5 S2 90.13(7) . . ?
S1 Re5 S3 173.07(7) . . ?
S1 Re5 S4 89.33(7) . . ?
S2 Re5 Re1 116.97(5) . . ?
S2 Re5 Re2 57.33(5) . . ?
S2 Re5 Re3 57.15(5) . . ?
S2 Re5 Re4 117.00(5) . . ?
S2 Re5 S3 90.05(7) . . ?
S2 Re5 S4 172.95(7) . . ?
S3 Re5 Re1 116.89(5) . . ?
S3 Re5 Re2 117.26(5) . . ?
S3 Re5 Re3 57.35(5) . . ?
S3 Re5 Re4 57.23(5) . . ?
S3 Re5 S4 89.64(7) . . ?
S4 Re5 Re1 57.20(5) . . ?
S4 Re5 Re2 116.85(5) . . ?
S4 Re5 Re3 117.17(5) . . ?
S4 Re5 Re4 57.30(5) . . ?
C5 Re5 Re1 136.3(2) . . ?
C5 Re5 Re2 132.5(2) . . ?
C5 Re5 Re3 133.7(2) . . ?
C5 Re5 Re4 137.9(2) . . ?
C5 Re5 S1 92.4(2) . . ?
C5 Re5 S2 90.8(2) . . ?
C5 Re5 S3 94.5(2) . . ?
C5 Re5 S4 96.3(2) . . ?
Re2 Re6 Re1 59.714(13) . . ?
Re2 Re6 Re3 59.984(12) . . ?
Re2 Re6 Re4 89.542(14) . . ?
Re3 Re6 Re1 90.086(14) . . ?
Re4 Re6 Re1 59.838(12) . . ?
Re4 Re6 Re3 60.036(13) . . ?
S5 Re6 Re1 57.18(5) . . ?
S5 Re6 Re2 57.07(5) . . ?
S5 Re6 Re3 117.03(5) . . ?
S5 Re6 Re4 116.96(5) . . ?
S6 Re6 Re1 116.92(5) . . ?
S6 Re6 Re2 57.23(5) . . ?
S6 Re6 Re3 57.40(5) . . ?
S6 Re6 Re4 117.37(5) . . ?
S6 Re6 S5 89.22(7) . . ?
S7 Re6 Re1 117.08(5) . . ?
S7 Re6 Re2 117.12(5) . . ?
S7 Re6 Re3 57.19(5) . . ?
S7 Re6 Re4 57.27(5) . . ?
S7 Re6 S5 172.93(7) . . ?
S7 Re6 S6 90.32(7) . . ?
S7 Re6 S8 89.64(7) . . ?
S8 Re6 Re1 57.37(5) . . ?
S8 Re6 Re2 117.04(5) . . ?
S8 Re6 Re3 117.33(5) . . ?
S8 Re6 Re4 57.32(5) . . ?
S8 Re6 S5 89.99(7) . . ?
S8 Re6 S6 173.25(7) . . ?
C6 Re6 Re1 136.2(2) . . ?
C6 Re6 Re2 134.8(2) . . ?
C6 Re6 Re3 133.7(2) . . ?
C6 Re6 Re4 135.6(2) . . ?
C6 Re6 S5 94.1(2) . . ?
C6 Re6 S6 92.2(2) . . ?
C6 Re6 S7 92.9(2) . . ?
C6 Re6 S8 94.5(2) . . ?
Re1 S1 Re2 65.14(5) . . ?
Re5 S1 Re1 65.83(5) . . ?
Re5 S1 Re2 65.22(5) . . ?
Re2 S2 Re3 65.48(5) . . ?
Re2 S2 Re5 65.29(5) . . ?
Re5 S2 Re3 65.72(5) . . ?
Re4 S3 Re3 65.42(5) . . ?
Re5 S3 Re3 65.61(5) . . ?
Re5 S3 Re4 65.59(5) . . ?
Re4 S4 Re1 65.18(5) . . ?
Re5 S4 Re1 65.65(5) . . ?
Re5 S4 Re4 65.43(5) . . ?
Re1 S5 Re6 65.59(5) . . ?
Re2 S5 Re1 65.31(5) . . ?
Re2 S5 Re6 65.49(5) . . ?
Re2 S6 Re3 65.40(5) . . ?
Re2 S6 Re6 65.45(5) . . ?
Re6 S6 Re3 65.46(5) . . ?
Re3 S7 Re4 65.60(5) . . ?
Re6 S7 Re3 65.63(5) . . ?
Re6 S7 Re4 65.53(5) . . ?
Re4 S8 Re1 65.24(5) . . ?
Re6 S8 Re1 65.53(5) . . ?
Re6 S8 Re4 65.46(5) . . ?
N1 C1 Re1 173.5(7) . . ?
C1 N1 Eu1 156.6(7) . . ?
N2 C2 Re2 176.9(8) . . ?
C2 N2 Eu2 172.3(7) . 1_565 ?
N3 C3 Re3 179.1(8) . . ?
C3 N3 Eu4 163.0(7) . 4_585 ?
N4 C4 Re4 176.9(8) . . ?
C4 N4 Eu2 155.7(7) . 4_575 ?
N5 C5 Re5 176.0(8) . . ?
C5 N5 Eu3 170.2(7) . 3_676 ?
N6 C6 Re6 178.4(8) . . ?
C6 N6 Eu1 166.6(7) . 2_556 ?
N1 Eu1 N6 137.5(3) . 2_546 ?
N1 Eu1 Eu2 124.89(17) . . ?
N1 Eu1 Eu3 68.88(17) . . ?
N1 Eu1 Eu4 108.57(18) . . ?
N1 Eu1 O1M 71.7(3) . . ?
N1 Eu1 O1A 130.9(3) . 2_546 ?
N1 Eu1 N1A 69.3(2) . . ?
N6 Eu1 Eu2 96.36(18) 2_546 . ?
N6 Eu1 Eu3 152.62(18) 2_546 . ?
N6 Eu1 Eu4 99.50(19) 2_546 . ?
N6 Eu1 O1M 101.4(3) 2_546 . ?
N6 Eu1 O1A 67.5(3) 2_546 2_546 ?
N6 Eu1 N1A 69.2(3) 2_546 . ?
Eu2 Eu1 Eu3 60.798(11) . . ?
Eu2 Eu1 Eu4 61.149(12) . . ?
Eu3 Eu1 Eu4 57.414(11) . . ?
O1 Eu1 N1 85.1(2) . . ?
O1 Eu1 N6 133.5(2) . 2_546 ?
O1 Eu1 Eu2 40.10(13) . . ?
O1 Eu1 Eu3 33.73(14) . . ?
O1 Eu1 Eu4 75.42(13) . . ?
O1 Eu1 O2 74.45(19) . . ?
O1 Eu1 O3 66.7(2) . . ?
O1 Eu1 O1M 71.0(3) . . ?
O1 Eu1 O1A 69.4(2) . 2_546 ?
O1 Eu1 N1A 137.2(2) . . ?
O2 Eu1 N1 141.8(2) . . ?
O2 Eu1 N6 76.1(2) . 2_546 ?
O2 Eu1 Eu2 40.09(14) . . ?
O2 Eu1 Eu3 76.55(14) . . ?
O2 Eu1 Eu4 35.45(14) . . ?
O2 Eu1 O3 68.9(2) . . ?
O2 Eu1 O1M 127.8(3) . . ?
O2 Eu1 O1A 71.2(3) . 2_546 ?
O2 Eu1 N1A 144.4(2) . . ?
O3 Eu1 N1 73.4(2) . . ?
O3 Eu1 N6 131.6(2) . 2_546 ?
O3 Eu1 Eu2 77.80(14) . . ?
O3 Eu1 Eu3 34.87(14) . . ?
O3 Eu1 Eu4 35.62(14) . . ?
O3 Eu1 O1M 126.4(3) . . ?
O3 Eu1 O1A 126.5(3) . 2_546 ?
O3 Eu1 N1A 131.2(2) . . ?
O1M Eu1 Eu2 90.3(2) . . ?
O1M Eu1 Eu3 94.1(3) . . ?
O1M Eu1 Eu4 146.3(2) . . ?
O1M Eu1 N1A 68.7(3) . . ?
O1A Eu1 Eu2 48.8(2) 2_546 . ?
O1A Eu1 Eu3 101.9(2) 2_546 . ?
O1A Eu1 Eu4 104.6(2) 2_546 . ?
O1A Eu1 O1M 60.7(3) 2_546 . ?
O1A Eu1 N1A 101.8(3) 2_546 . ?
N1A Eu1 Eu2 150.5(2) . . ?
N1A Eu1 Eu3 137.99(18) . . ?
N1A Eu1 Eu4 144.4(2) . . ?
O1B Eu1 N1 89.5(3) . . ?
O1B Eu1 N6 71.8(3) . 2_546 ?
O1B Eu1 Eu2 125.21(17) . . ?
O1B Eu1 Eu3 107.70(17) . . ?
O1B Eu1 Eu4 68.32(16) . . ?
O1B Eu1 O1 139.4(2) . . ?
O1B Eu1 O2 85.9(2) . . ?
O1B Eu1 O3 73.2(2) . . ?
O1B Eu1 O1M 144.0(3) . . ?
O1B Eu1 O1A 136.8(3) . 2_546 ?
O1B Eu1 N1A 76.1(3) . . ?
N2 Eu2 N4 141.6(3) 1_545 4_676 ?
N2 Eu2 Eu1 92.39(18) 1_545 . ?
N2 Eu2 O2M 71.9(3) 1_545 . ?
N2 Eu2 O1A 66.8(2) 1_545 2_546 ?
N2 Eu2 O2A 81.7(3) 1_545 2_546 ?
N2 Eu2 C1A 69.7(3) 1_545 2_546 ?
N2 Eu2 C1C 70.6(3) 1_545 . ?
N4 Eu2 Eu1 123.08(18) 4_676 . ?
N4 Eu2 O2M 70.4(3) 4_676 . ?
N4 Eu2 O1A 127.8(3) 4_676 2_546 ?
N4 Eu2 O2A 87.1(3) 4_676 2_546 ?
N4 Eu2 C1A 109.8(3) 4_676 2_546 ?
N4 Eu2 C1C 101.8(3) 4_676 . ?
O1 Eu2 N2 71.2(2) . 1_545 ?
O1 Eu2 N4 145.8(2) . 4_676 ?
O1 Eu2 Eu1 39.42(14) . . ?
O1 Eu2 O2M 143.1(3) . . ?
O1 Eu2 O1A 65.3(3) . 2_546 ?
O1 Eu2 O2A 113.2(3) . 2_546 ?
O1 Eu2 C1A 88.8(3) . 2_546 ?
O1 Eu2 C1C 77.5(3) . . ?
O2 Eu2 N2 130.6(2) . 1_545 ?
O2 Eu2 N4 83.1(2) . 4_676 ?
O2 Eu2 Eu1 40.02(13) . . ?
O2 Eu2 O1 73.8(2) . . ?
O2 Eu2 O2M 134.6(3) . . ?
O2 Eu2 O1A 67.4(2) . 2_546 ?
O2 Eu2 O2A 81.3(3) . 2_546 ?
O2 Eu2 C1A 75.9(3) . 2_546 ?
O2 Eu2 C1C 132.6(3) . . ?
O4 Eu2 N2 126.2(2) . 1_545 ?
O4 Eu2 N4 78.7(2) . 4_676 ?
O4 Eu2 Eu1 79.80(14) . . ?
O4 Eu2 O1 69.76(19) . . ?
O4 Eu2 O2 69.00(19) . . ?
O4 Eu2 O2M 135.5(3) . . ?
O4 Eu2 O1A 123.7(2) . 2_546 ?
O4 Eu2 O2A 148.2(3) . 2_546 ?
O4 Eu2 C1A 142.6(3) . 2_546 ?
O4 Eu2 C1C 66.0(3) . . ?
O2M Eu2 Eu1 144.2(3) . . ?
O2M Eu2 O1A 100.6(3) . 2_546 ?
O2M Eu2 C1A 79.4(4) . 2_546 ?
O2M Eu2 C1C 89.6(4) . . ?
O1A Eu2 Eu1 44.0(2) 2_546 . ?
O1A Eu2 C1A 23.8(3) 2_546 2_546 ?
O1A Eu2 C1C 130.1(3) 2_546 . ?
O2A Eu2 Eu1 84.7(3) 2_546 . ?
O2A Eu2 O2M 61.7(4) 2_546 . ?
O2A Eu2 O1A 47.9(3) 2_546 2_546 ?
O2A Eu2 C1A 24.5(4) 2_546 2_546 ?
O2A Eu2 C1C 145.5(3) 2_546 . ?
C1A Eu2 Eu1 64.9(3) 2_546 . ?
C1A Eu2 C1C 140.3(3) 2_546 . ?
O1C Eu2 N2 73.2(3) . 1_545 ?
O1C Eu2 N4 89.2(3) . 4_676 ?
O1C Eu2 Eu1 133.6(2) . . ?
O1C Eu2 O1 94.8(3) . . ?
O1C Eu2 O2 143.8(2) . . ?
O1C Eu2 O4 74.8(2) . . ?
O1C Eu2 O2M 73.6(4) . . ?
O1C Eu2 O1A 139.2(3) . 2_546 ?
O1C Eu2 O2A 133.7(3) . 2_546 ?
O1C Eu2 C1A 139.3(3) . 2_546 ?
O1C Eu2 C1C 17.6(3) . . ?
C1C Eu2 Eu1 116.0(2) . . ?
N5 Eu3 Eu1 158.85(19) 3_676 . ?
N5 Eu3 Eu2 138.76(19) 3_676 . ?
N5 Eu3 Eu4 134.59(19) 3_676 . ?
Eu2 Eu3 Eu1 56.532(11) . . ?
Eu4 Eu3 Eu1 61.795(11) . . ?
Eu4 Eu3 Eu2 61.294(12) . . ?
O1 Eu3 N5 143.8(2) . 3_676 ?
O1 Eu3 Eu1 34.19(15) . . ?
O1 Eu3 Eu2 36.53(14) . . ?
O1 Eu3 Eu4 79.44(14) . . ?
O1 Eu3 O3 68.6(2) . . ?
O1 Eu3 O4 69.72(19) . . ?
O1 Eu3 O3M 75.1(3) . . ?
O1 Eu3 O4M 120.9(2) . . ?
O1 Eu3 O2C 81.6(3) . . ?
O3 Eu3 N5 143.9(3) . 3_676 ?
O3 Eu3 Eu1 36.41(15) . . ?
O3 Eu3 Eu2 75.15(15) . . ?
O3 Eu3 Eu4 38.44(15) . . ?
O3 Eu3 O4 69.8(2) . . ?
O3 Eu3 O3M 112.2(3) . . ?
O3 Eu3 O4M 74.2(2) . . ?
O3 Eu3 O2C 140.0(2) . . ?
O4 Eu3 N5 127.0(2) . 3_676 ?
O4 Eu3 Eu1 74.14(13) . . ?
O4 Eu3 Eu2 36.04(14) . . ?
O4 Eu3 Eu4 36.86(14) . . ?
O4 Eu3 O4M 134.4(2) . . ?
O3M Eu3 N5 75.7(3) . 3_676 ?
O3M Eu3 Eu1 86.2(2) . . ?
O3M Eu3 Eu2 105.2(2) . . ?
O3M Eu3 Eu4 147.8(2) . . ?
O3M Eu3 O4 141.0(3) . . ?
O3M Eu3 O4M 78.7(3) . . ?
O4M Eu3 N5 73.1(3) . 3_676 ?
O4M Eu3 Eu1 92.87(18) . . ?
O4M Eu3 Eu2 148.14(17) . . ?
O4M Eu3 Eu4 98.29(19) . . ?
O2C Eu3 N5 74.2(3) . 3_676 ?
O2C Eu3 Eu1 115.1(2) . . ?
O2C Eu3 Eu2 65.2(2) . . ?
O2C Eu3 Eu4 112.02(19) . . ?
O2C Eu3 O4 75.4(2) . . ?
O2C Eu3 O3M 83.5(3) . . ?
O2C Eu3 O4M 145.7(3) . . ?
O1D Eu3 N5 72.2(3) . 3_676 ?
O1D Eu3 Eu1 121.13(18) . . ?
O1D Eu3 Eu2 108.77(18) . . ?
O1D Eu3 Eu4 62.41(18) . . ?
O1D Eu3 O1 140.2(2) . . ?
O1D Eu3 O3 86.4(2) . . ?
O1D Eu3 O4 72.9(2) . . ?
O1D Eu3 O3M 144.6(3) . . ?
O1D Eu3 O4M 77.8(3) . . ?
O1D Eu3 O2C 101.7(3) . . ?
N3 Eu4 Eu3 139.26(17) 4_686 . ?
N3 Eu4 C1D 84.0(2) 4_686 . ?
O2 Eu4 N3 139.5(2) . 4_686 ?
O2 Eu4 Eu3 79.05(13) . . ?
O2 Eu4 O5M 116.3(3) . . ?
O2 Eu4 O2D' 138.2(8) . . ?
O2 Eu4 C1D 134.94(19) . . ?
O3 Eu4 N3 129.6(2) . 4_686 ?
O3 Eu4 Eu3 37.31(14) . . ?
O3 Eu4 O2 68.9(2) . . ?
O3 Eu4 O5M 140.2(3) . . ?
O3 Eu4 O5M' 127.0(6) . . ?
O3 Eu4 O2D 78.8(3) . . ?
O3 Eu4 O2D' 69.5(8) . . ?
O3 Eu4 C1D 72.9(2) . . ?
O4 Eu4 N3 146.3(2) . 4_686 ?
O4 Eu4 Eu3 38.41(14) . . ?
O4 Eu4 O2 68.8(2) . . ?
O4 Eu4 O3 70.2(2) . . ?
O4 Eu4 O5M 75.5(3) . . ?
O4 Eu4 O5M' 75.7(6) . . ?
O4 Eu4 O6M 106.8(2) . . ?
O4 Eu4 O2D 96.4(3) . . ?
O4 Eu4 O2D' 94.4(5) . . ?
O4 Eu4 C1D 76.61(19) . . ?
O5M Eu4 N3 74.2(3) . 4_686 ?
O5M Eu4 Eu3 103.0(3) . . ?
O5M Eu4 C1D 80.2(4) . . ?
O5M' Eu4 Eu3 92.8(6) . . ?
O5M' Eu4 O2 131.9(6) . . ?
O5M' Eu4 O2D' 74.2(9) . . ?
O5M' Eu4 C1D 60.5(7) . . ?
O6M Eu4 N3 74.4(3) . 4_686 ?
O6M Eu4 Eu3 143.28(18) . . ?
O6M Eu4 O2 74.9(2) . . ?
O6M Eu4 O3 142.1(2) . . ?
O6M Eu4 O5M 67.3(4) . . ?
O6M Eu4 O5M' 85.9(7) . . ?
O6M Eu4 O2D 137.8(3) . . ?
O6M Eu4 O2D' 146.3(8) . . ?
O6M Eu4 C1D 144.7(3) . . ?
O2B Eu4 N3 70.9(2) . 4_686 ?
O2B Eu4 Eu3 113.57(19) . . ?
O2B Eu4 O2 82.5(2) . . ?
O2B Eu4 O3 76.5(2) . . ?
O2B Eu4 O4 141.9(2) . . ?
O2B Eu4 O5M 141.7(3) . . ?
O2B Eu4 O5M' 141.4(6) . . ?
O2B Eu4 O6M 88.3(3) . . ?
O2B Eu4 O2D 94.7(4) . . ?
O2B Eu4 O2D' 90.7(4) . . ?
O2B Eu4 C1D 110.9(3) . . ?
O2D Eu4 N3 67.0(3) . 4_686 ?
O2D Eu4 Eu3 72.2(2) . . ?
O2D Eu4 O2 147.3(3) . . ?
O2D Eu4 O5M 85.8(4) . . ?
O2D Eu4 C1D 19.8(2) . . ?
O2D' Eu4 Eu3 66.1(7) . . ?
O2D' Eu4 C1D 20.4(3) . . ?
C1D Eu4 Eu3 56.00(13) . . ?
Eu1 O1 Eu2 100.5(2) . . ?
Eu1 O1 H1 111.9 . . ?
Eu2 O1 H1 111.9 . . ?
Eu3 O1 Eu1 112.1(2) . . ?
Eu3 O1 Eu2 108.0(2) . . ?
Eu3 O1 H1 111.9 . . ?
Eu1 O2 Eu2 99.9(2) . . ?
Eu1 O2 Eu4 109.7(2) . . ?
Eu1 O2 H2 113.1 . . ?
Eu2 O2 Eu4 106.9(2) . . ?
Eu2 O2 H2 113.1 . . ?
Eu4 O2 H2 113.1 . . ?
Eu1 O3 H3 111.8 . . ?
Eu3 O3 Eu1 108.7(2) . . ?
Eu3 O3 Eu4 104.2(2) . . ?
Eu3 O3 H3 111.8 . . ?
Eu4 O3 Eu1 108.3(2) . . ?
Eu4 O3 H3 111.8 . . ?
Eu2 O4 Eu3 106.8(2) . . ?
Eu2 O4 H4 111.2 . . ?
Eu3 O4 H4 111.2 . . ?
Eu4 O4 Eu2 111.3(2) . . ?
Eu4 O4 Eu3 104.7(2) . . ?
Eu4 O4 H4 111.2 . . ?
Eu1 O1A Eu2 87.3(3) 2_556 2_556 ?
C1A O1A Eu1 146.2(8) . 2_556 ?
C1A O1A Eu2 85.1(9) . 2_556 ?
C1A O2A Eu2 96.9(9) . 2_556 ?
O1A C1A Eu2 71.1(8) . 2_556 ?
O1A C1A O2A 127.9(14) . . ?
O1A C1A C2A 114.2(13) . . ?
O2A C1A Eu2 58.6(8) . 2_556 ?
O2A C1A C2A 117.9(13) . . ?
C2A C1A Eu2 162.5(8) . 2_556 ?
C3A C2A C1A 120.7(12) . . ?
C5A C2A C1A 120.8(13) . . ?
C5A C2A C3A 118.5(12) . . ?
C2A C3A H3A 120.0 . . ?
C2A C3A C4A 120.1(12) . . ?
C4A C3A H3A 120.0 . . ?
C3A C4A H4A 118.3 . . ?
N1A C4A C3A 123.3(12) . . ?
N1A C4A H4A 118.3 . . ?
C2A C5A H5A 120.9 . . ?
C2A C5A C6A 118.1(13) . . ?
C6A C5A H5A 120.9 . . ?
C5A C6A H6A 118.3 . . ?
N1A C6A C5A 123.5(12) . . ?
N1A C6A H6A 118.3 . . ?
C4A N1A Eu1 117.8(8) . . ?
C4A N1A C6A 116.2(10) . . ?
C6A N1A Eu1 125.8(7) . . ?
C1B O1B Eu1 134.7(7) . . ?
C1B O2B Eu4 138.2(7) . . ?
O1B C1B C2B 117.0(9) . . ?
O2B C1B O1B 126.6(9) . . ?
O2B C1B C2B 116.3(9) . . ?
C3B C2B C1B 121.0(9) . . ?
C5B C2B C1B 120.2(10) . . ?
C5B C2B C3B 118.8(10) . . ?
C2B C3B H3B 120.9 . . ?
C2B C3B C4B 118.2(10) . . ?
C4B C3B H3B 120.9 . . ?
C3B C4B H4B 118.4 . . ?
N1B C4B C3B 123.3(11) . . ?
N1B C4B H4B 118.4 . . ?
C2B C5B H5B 120.2 . . ?
C6B C5B C2B 119.7(12) . . ?
C6B C5B H5B 120.2 . . ?
C5B C6B H6B 118.6 . . ?
N1B C6B C5B 122.8(12) . . ?
N1B C6B H6B 118.6 . . ?
C4B N1B C6B 117.2(10) . . ?
C1C O1C Eu2 127.6(8) . . ?
C1C O2C Eu3 139.7(7) . . ?
O1C C1C Eu2 34.7(5) . . ?
O1C C1C O2C 128.2(11) . . ?
O1C C1C C2C 114.8(11) . . ?
O1C C1C C2C' 113.2(16) . . ?
O2C C1C Eu2 94.1(7) . . ?
O2C C1C C2C 115.9(11) . . ?
O2C C1C C2C' 117.9(15) . . ?
C2C C1C Eu2 149.6(8) . . ?
C2C' C1C Eu2 143.7(15) . . ?
C3C C2C C1C 118.1(12) . . ?
C5C C2C C1C 121.9(12) . . ?
C5C C2C C3C 120.0(15) . . ?
C2C C3C H3C 121.3 . . ?
C4C C3C C2C 117.3(15) . . ?
C4C C3C H3C 121.3 . . ?
C3C C4C H4C 118.1 . . ?
N1C C4C C3C 123.9(16) . . ?
N1C C4C H4C 118.1 . . ?
C2C C5C H5C 121.0 . . ?
C6C C5C C2C 118.0(16) . . ?
C6C C5C H5C 121.0 . . ?
C5C C6C H6C 118.4 . . ?
N1C C6C C5C 123.2(16) . . ?
N1C C6C H6C 118.4 . . ?
C6C N1C C4C 117.5(16) . . ?
C3C' C2C' C1C 126(3) . . ?
C3C' C2C' C5C' 119(3) . . ?
C5C' C2C' C1C 115(2) . . ?
C2C' C3C' H3C' 118.3 . . ?
C4C' C3C' C2C' 123(3) . . ?
C4C' C3C' H3C' 118.3 . . ?
C3C' C4C' H4C' 120.8 . . ?
N1C' C4C' C3C' 118(4) . . ?
N1C' C4C' H4C' 120.8 . . ?
C2C' C5C' H5C' 123.2 . . ?
C6C' C5C' C2C' 114(3) . . ?
C6C' C5C' H5C' 123.2 . . ?
C5C' C6C' H6C' 115.7 . . ?
N1C' C6C' C5C' 129(4) . . ?
N1C' C6C' H6C' 115.7 . . ?
C4C' N1C' C6C' 117(4) . . ?
C1D O1D Eu3 133.7(6) . . ?
C1D O2D Eu4 119.1(8) . . ?
C1D O2D' Eu4 116.6(12) . . ?
O1D C1D Eu4 87.1(6) . . ?
O1D C1D O2D' 119.2(15) . . ?
O1D C1D C2D 116.0(7) . . ?
O2D C1D Eu4 41.1(6) . . ?
O2D C1D O1D 127.1(10) . . ?
O2D C1D C2D 116.7(8) . . ?
O2D' C1D Eu4 43.0(9) . . ?
O2D' C1D C2D 122.6(12) . . ?
C2D C1D Eu4 153.3(5) . . ?
C3D C2D C1D 120.0(8) . . ?
C5D C2D C1D 121.0(8) . . ?
C5D C2D C3D 118.9(9) . . ?
C2D C3D H3D 120.3 . . ?
C4D C3D C2D 119.5(9) . . ?
C4D C3D H3D 120.3 . . ?
C3D C4D H4D 118.8 . . ?
N1D C4D C3D 122.5(10) . . ?
N1D C4D H4D 118.8 . . ?
C2D C5D H5D 120.7 . . ?
C2D C5D C6D 118.6(10) . . ?
C6D C5D H5D 120.7 . . ?
C5D C6D H6D 118.2 . . ?
N1D C6D C5D 123.7(11) . . ?
N1D C6D H6D 118.2 . . ?
C6D N1D C4D 116.8(10) . . ?
O14W O13W O15W 97(4) 1_565 1_565 ?

_refine_diff_density_max         3.802
_refine_diff_density_min         -3.736
_refine_diff_density_rms         0.279




