#------------------------------------------------------------------------------
#$Date: 2019-11-24 12:53:08 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237947 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/00/4350023.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4350023
loop_
_publ_author_name
'Litvinova, Yulia M.'
'Gayfulin, Yakov M.'
'van Leusen, Jan'
'Samsonenko, Denis G.'
'Lazarenko, Vladimir A.'
'Zubavichus, Yan V.'
'Kögerler, Paul'
'Mironov, Yuri V.'
_publ_section_title
;
 Metal--organic frameworks based on polynuclear lanthanide complexes and
 octahedral rhenium clusters
;
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1518
_journal_paper_doi               10.1039/C9QI00339H
_journal_volume                  6
_journal_year                    2019
_chemical_formula_sum            'C30 H42 Gd4 N10 O23 Re6 S8'
_chemical_formula_weight         2913.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-03-20 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.903(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.6751(9)
_cell_length_b                   12.4275(6)
_cell_length_c                   23.6074(10)
_cell_measurement_reflns_used    3350
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.10
_cell_measurement_theta_min      3.50
_cell_volume                     6214.6(5)
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_collection       'Marccd (Doyle, 2011)'
_computing_data_reduction        'iMosflm (Battye et al., 2011)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rayonix SX-165 CCD'
_diffrn_measurement_method       'φ scan'
_diffrn_radiation_monochromator  'Double Crystal Monochromator'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.80246
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_av_unetI/netI     0.0568
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            62471
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        29.000
_diffrn_reflns_theta_max         29.693
_diffrn_reflns_theta_min         2.759
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    22.162
_exptl_absorpt_correction_T_max  0.350
_exptl_absorpt_correction_T_min  0.290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.114
_exptl_crystal_description       stick
_exptl_crystal_F_000             5240
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.829
_refine_diff_density_min         -2.388
_refine_diff_density_rms         0.309
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     948
_refine_ls_number_reflns         12222
_refine_ls_number_restraints     704
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0476P)²+81.3400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1011
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10986
_reflns_number_total             12222
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9qi00339h2.cif
_cod_data_source_block           lit83gd
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4350023
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.095
_shelx_estimated_absorpt_t_max   0.404
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.31000(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
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Re2 Re1 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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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) .
