#------------------------------------------------------------------------------
#$Date: 2023-07-07 01:52:58 +0300 (Fri, 07 Jul 2023) $
#$Revision: 285071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/34/7713407.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_7713407
loop_
_publ_author_name
'Wang, Li'
'Zhu, Yulian'
'Zheng, Teng-Fei'
'Zhu, Zi-Hao'
'Peng, Yan'
'Wu, Yongquan'
'Chen, Jing-Lin'
'Liu, Sui-Jun'
'Wen, He-Rui'
_publ_section_title
;
 A highly stable chain-based EuIII metal-organic framework as the turn-on
 and blue-shift luminescent sensor for dipicolinic acid
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01057K
_journal_year                    2023
_chemical_formula_moiety         'C60 H32 Eu3 N6 O16 S3'
_chemical_formula_sum            'C60 H32 Eu3 N6 O16 S3'
_chemical_formula_weight         1644.97
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-11-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-01-04 deposited with the CCDC.	2023-07-06 downloaded from the CCDC.
;
_cell_angle_alpha                113.6650(10)
_cell_angle_beta                 95.5710(10)
_cell_angle_gamma                102.2300(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8463(3)
_cell_length_b                   18.8634(7)
_cell_length_c                   20.8662(7)
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.84
_cell_volume                     3051.60(19)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            46674
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.532
_diffrn_reflns_theta_min         2.807
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.221
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0740 before and 0.0406 after correction.
The Ratio of minimum to maximum transmission is 0.7704.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_description       Block
_exptl_crystal_F_000             1598
_exptl_transmission_factor_max   0.7456
_exptl_transmission_factor_min   0.5744
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     794
_refine_ls_number_reflns         13992
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0205
_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)+(0.0194P)²+1.8807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0457
_refine_ls_wR_factor_ref         0.0477
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12351
_reflns_number_total             13992
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01057k2.cif
_cod_data_source_block           JXUST-38
_cod_database_code               7713407
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.769
_shelx_estimated_absorpt_t_max   0.812
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C5(H5), C4(H4), C12(H12), C10(H10), C15(H15), C18(H18),
 C17(H17), C16(H16), C23(H23), C24(H24), C25(H25), C26(H26), C29(H29), C32(H32),
  C35(H35), C36(H36), C37(H37), C38(H38), C43(H43), C44(H44), C45(H45),
 C46(H46), C49(H49), C52(H52), C55(H55), C56(H56), C57(H57), C58(H58)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Eu1 Eu 0.82296(2) 0.47835(2) 0.42554(2) 0.01360(3) Uani 1 1 d . . . . .
C1 C 0.4968(3) 0.41925(15) 0.30405(13) 0.0230(6) Uani 1 1 d . . . . .
O1 O 0.6441(2) 0.45088(12) 0.32299(10) 0.0332(5) Uani 1 1 d . . . . .
N1 N 0.2788(3) 0.18523(14) -0.17996(12) 0.0290(5) Uani 1 1 d . . . . .
S1 S 0.40866(9) 0.27135(4) -0.14094(4) 0.03340(17) Uani 1 1 d . . . . .
Eu2 Eu -0.39965(2) -0.38004(2) -0.44777(2) 0.01365(3) Uani 1 1 d . . . . .
C2 C 0.4268(3) 0.38329(15) 0.22548(13) 0.0208(5) Uani 1 1 d . . . . .
O2 O 0.4084(2) 0.41284(12) 0.34592(9) 0.0304(4) Uani 1 1 d . . . . .
N2 N 0.3950(3) 0.29703(13) -0.05831(12) 0.0280(5) Uani 1 1 d . . . . .
S2 S 0.35587(12) -0.18107(5) 0.07048(4) 0.0437(2) Uani 1 1 d . . . . .
Eu3 Eu 0.03734(2) -0.30833(2) -0.50509(2) 0.01585(3) Uani 1 1 d . . . . .
C3 C 0.5239(3) 0.36988(17) 0.17568(13) 0.0254(6) Uani 1 1 d . . . . .
H3 H 0.632808 0.390556 0.191358 0.030 Uiso 1 1 calc R . . . .
O3 O -0.0895(2) -0.21335(11) -0.44186(10) 0.0294(4) Uani 1 1 d . . . . .
N3 N 0.2810(3) -0.19262(14) -0.00766(12) 0.0335(6) Uani 1 1 d . . . . .
S3 S 0.98456(11) 0.31041(6) -0.06518(4) 0.0440(2) Uani 1 1 d . . . . .
C9 C 0.2836(3) 0.23606(15) -0.05783(13) 0.0209(5) Uani 1 1 d . . . . .
O9 O 0.9631(2) 0.56455(11) 0.37255(9) 0.0243(4) Uani 1 1 d . . . . .
C7 C 0.2983(3) 0.29435(16) 0.07851(13) 0.0220(5) Uani 1 1 d . . . . .
O7 O 0.9830(2) 0.40780(11) 0.36158(9) 0.0232(4) Uani 1 1 d . . . . .
N6 N 0.9466(3) 0.37295(16) 0.00632(12) 0.0340(6) Uani 1 1 d . . . . .
O6 O 0.7868(2) 0.26466(10) 0.39681(9) 0.0218(4) Uani 1 1 d . . . . .
C6 C 0.4614(3) 0.32640(17) 0.10336(14) 0.0268(6) Uani 1 1 d . . . . .
H6 H 0.528419 0.318422 0.070984 0.032 Uiso 1 1 calc R . . . .
N5 N 0.8859(3) 0.32529(16) -0.12490(12) 0.0340(6) Uani 1 1 d . . . . .
O5 O 0.62779(19) 0.34040(10) 0.39257(9) 0.0194(4) Uani 1 1 d . . . . .
C5 C 0.2013(3) 0.31461(17) 0.12813(14) 0.0264(6) Uani 1 1 d . . . . .
H5 H 0.092265 0.298544 0.112296 0.032 Uiso 1 1 calc R . . . .
N4 N 0.4034(3) -0.08479(14) 0.11463(12) 0.0321(6) Uani 1 1 d . . . . .
O4 O -0.3106(2) -0.23415(10) -0.40167(10) 0.0247(4) Uani 1 1 d . . . . .
C4 C 0.2649(3) 0.35835(17) 0.20069(14) 0.0253(6) Uani 1 1 d . . . . .
H4 H 0.198212 0.371010 0.232922 0.030 Uiso 1 1 calc R . . . .
C8 C 0.2287(3) 0.23432(15) 0.00370(13) 0.0218(5) Uani 1 1 d . . . . .
O8 O 1.1356(2) 0.33856(12) 0.38399(10) 0.0328(5) Uani 1 1 d . . . . .
O11 O 0.7242(2) 0.31873(13) -0.45723(10) 0.0321(5) Uani 1 1 d . . . . .
C11 C 0.2155(3) 0.17184(15) -0.12834(13) 0.0219(5) Uani 1 1 d . . . . .
O12 O 0.5157(2) 0.36610(12) -0.45068(9) 0.0270(4) Uani 1 1 d . . . A -1
C12 C 0.0388(3) 0.10562(16) -0.07930(14) 0.0258(6) Uani 1 1 d . . . . .
H12 H -0.044333 0.063199 -0.083981 0.031 Uiso 1 1 calc R . . . .
O10 O 0.9166(2) 0.67603(12) 0.37686(10) 0.0316(5) Uani 1 1 d . . . . .
C10 C 0.1058(3) 0.16875(16) -0.00996(14) 0.0261(6) Uani 1 1 d . . . . .
H10 H 0.064145 0.165462 0.028310 0.031 Uiso 1 1 calc R . . . .
C14 C 0.0200(3) 0.03378(15) -0.21040(13) 0.0225(5) Uani 1 1 d . . . . .
O14 O 0.64588(18) 0.48816(9) 0.50514(8) 0.0163(3) Uani 1 1 d . . . B -1
C13 C 0.0900(3) 0.10376(15) -0.13973(14) 0.0235(6) Uani 1 1 d . . . . .
O13 O 0.77183(18) 0.60818(10) 0.46922(8) 0.0162(3) Uani 1 1 d . . . C -1
C15 C 0.1112(3) 0.00228(16) -0.25974(14) 0.0267(6) Uani 1 1 d . . . . .
H15 H 0.217713 0.028790 -0.251007 0.032 Uiso 1 1 calc R . . . .
O15 O 0.94033(17) 0.42902(9) 0.49999(7) 0.0099(3) Uani 1 1 d . . . . .
C18 C -0.2059(3) -0.07661(16) -0.28860(14) 0.0263(6) Uani 1 1 d . . . . .
H18 H -0.313159 -0.102151 -0.298226 0.032 Uiso 1 1 calc R . . . .
C17 C 0.0455(3) -0.06796(16) -0.32162(14) 0.0251(6) Uani 1 1 d . . . . .
H17 H 0.108155 -0.087493 -0.354236 0.030 Uiso 1 1 calc R . . . .
C16 C -0.1406(3) -0.00573(16) -0.22719(14) 0.0274(6) Uani 1 1 d . . . . .
H16 H -0.205257 0.015971 -0.196501 0.033 Uiso 1 1 calc R . . . .
C19 C -0.1130(3) -0.10989(15) -0.33585(13) 0.0208(5) Uani 1 1 d . . . . .
C23 C 0.4632(3) 0.21896(15) 0.25442(13) 0.0201(5) Uani 1 1 d . . . . .
H23 H 0.426560 0.264398 0.272772 0.024 Uiso 1 1 calc R . . . .
C22 C 0.5859(3) 0.21102(14) 0.29566(12) 0.0170(5) Uani 1 1 d . . . . .
C21 C 0.6705(3) 0.27592(14) 0.36714(12) 0.0158(5) Uani 1 1 d . . . . .
C20 C -0.1777(3) -0.19177(15) -0.39792(13) 0.0208(5) Uani 1 1 d . . . . .
O1W O 0.1729(3) -0.17972(14) -0.50193(14) 0.0531(7) Uani 1 1 d . . . . .
H1WA H 0.273576 -0.171743 -0.492270 0.080 Uiso 1 1 d GR . . . .
H1WB H 0.154980 -0.141217 -0.466491 0.080 Uiso 1 1 d GR . . . .
C24 C 0.6382(3) 0.14267(16) 0.26799(13) 0.0235(6) Uani 1 1 d . . . . .
H24 H 0.720095 0.136894 0.295331 0.028 Uiso 1 1 calc R . . . .
C25 C 0.5699(3) 0.08327(16) 0.20032(14) 0.0258(6) Uani 1 1 d . . . . .
H25 H 0.605531 0.037435 0.182603 0.031 Uiso 1 1 calc R . . . .
C27 C 0.4485(3) 0.09071(15) 0.15803(13) 0.0217(5) Uani 1 1 d . . . . .
C26 C 0.3953(3) 0.15932(15) 0.18598(13) 0.0223(5) Uani 1 1 d . . . . .
H26 H 0.313739 0.165152 0.158550 0.027 Uiso 1 1 calc R . . . .
C28 C 0.3762(3) 0.02658(15) 0.08528(13) 0.0226(5) Uani 1 1 d . . . . .
C29 C 0.3184(3) 0.04166(16) 0.03007(14) 0.0270(6) Uani 1 1 d . . . . .
H29 H 0.325417 0.094742 0.038761 0.032 Uiso 1 1 calc R . . . .
C30 C 0.3617(3) -0.05600(16) 0.06832(13) 0.0226(5) Uani 1 1 d . . . . .
C31 C 0.2909(3) -0.11826(15) -0.00198(13) 0.0222(5) Uani 1 1 d . . . . .
C32 C 0.2486(3) -0.01961(16) -0.03943(14) 0.0268(6) Uani 1 1 d . . . . .
H32 H 0.211825 -0.004922 -0.074263 0.032 Uiso 1 1 calc R . . . .
C33 C 0.2325(3) -0.09965(15) -0.05793(13) 0.0220(5) Uani 1 1 d . . . . .
C34 C 0.8397(3) 0.16340(15) 0.13083(13) 0.0213(5) Uani 1 1 d . . . . .
C35 C 0.7830(3) 0.23089(16) 0.15883(13) 0.0234(6) Uani 1 1 d . . . . .
H35 H 0.701139 0.236205 0.131124 0.028 Uiso 1 1 calc R . . . .
C36 C 0.9630(3) 0.15697(15) 0.17314(14) 0.0236(6) Uani 1 1 d . . . . .
H36 H 1.002247 0.112364 0.155030 0.028 Uiso 1 1 calc R . . . .
C37 C 1.0281(3) 0.21638(15) 0.24202(13) 0.0218(5) Uani 1 1 d . . . . .
H37 H 1.110526 0.211579 0.269831 0.026 Uiso 1 1 calc R . . . .
C38 C 0.8474(3) 0.28971(15) 0.22719(13) 0.0209(5) Uani 1 1 d . . . . .
H38 H 0.808638 0.334449 0.245369 0.025 Uiso 1 1 calc R . . . .
C39 C 0.9699(3) 0.28276(15) 0.26921(12) 0.0183(5) Uani 1 1 d . . . . .
C40 C 1.0354(3) 0.34782(14) 0.34385(13) 0.0174(5) Uani 1 1 d . . . . .
C41 C 0.9219(3) 0.60485(16) 0.34146(13) 0.0232(6) Uani 1 1 d . . . . .
C42 C 0.8842(3) 0.56818(16) 0.26191(13) 0.0250(6) Uani 1 1 d . . . . .
C43 C 0.8158(4) 0.60546(19) 0.22671(15) 0.0376(7) Uani 1 1 d . . . . .
H43 H 0.789210 0.652539 0.252755 0.045 Uiso 1 1 calc R . . . .
C44 C 0.9237(4) 0.49897(18) 0.22223(15) 0.0324(7) Uani 1 1 d . . . . .
H44 H 0.970678 0.473504 0.245253 0.039 Uiso 1 1 calc R . . . .
C45 C 0.8942(4) 0.46683(18) 0.14815(15) 0.0323(7) Uani 1 1 d . . . . .
H45 H 0.921302 0.419886 0.122201 0.039 Uiso 1 1 calc R . . . .
C46 C 0.7867(4) 0.5732(2) 0.15331(15) 0.0391(8) Uani 1 1 d . . . . .
H46 H 0.739913 0.599021 0.130653 0.047 Uiso 1 1 calc R . . . .
C47 C 0.8248(3) 0.50361(17) 0.11204(13) 0.0250(6) Uani 1 1 d . . . . .
C48 C 0.7921(3) 0.47217(16) 0.03291(13) 0.0245(6) Uani 1 1 d . . . . .
C49 C 0.7017(3) 0.50238(19) -0.00168(14) 0.0321(7) Uani 1 1 d . . . . .
H49 H 0.658588 0.542391 0.026111 0.038 Uiso 1 1 calc R . . . .
C50 C 0.8529(3) 0.41078(16) -0.01386(14) 0.0236(6) Uani 1 1 d . . . . .
C51 C 0.8180(3) 0.38332(16) -0.09071(13) 0.0234(6) Uani 1 1 d . . . . .
C52 C 0.6697(3) 0.47687(18) -0.07649(14) 0.0313(7) Uani 1 1 d . . . . .
H52 H 0.609153 0.501860 -0.094694 0.038 Uiso 1 1 calc R . . . .
C53 C 0.7233(3) 0.41718(16) -0.12377(13) 0.0227(5) Uani 1 1 d . . . . .
C54 C 0.6895(3) 0.39342(16) -0.20207(13) 0.0222(5) Uani 1 1 d . . . . .
C55 C 0.5912(4) 0.4265(2) -0.23034(16) 0.0463(9) Uani 1 1 d . . . . .
H55 H 0.542097 0.461598 -0.200131 0.056 Uiso 1 1 calc R . . . .
C56 C 0.7536(4) 0.3387(2) -0.25022(16) 0.0402(8) Uani 1 1 d . . . . .
H56 H 0.814930 0.312545 -0.234005 0.048 Uiso 1 1 calc R . . . .
C57 C 0.7285(4) 0.3224(2) -0.32130(15) 0.0364(7) Uani 1 1 d . . . . .
H57 H 0.774021 0.285656 -0.352054 0.044 Uiso 1 1 calc R . . . .
C58 C 0.5641(4) 0.4087(2) -0.30202(16) 0.0459(9) Uani 1 1 d . . . . .
H58 H 0.494930 0.430756 -0.319448 0.055 Uiso 1 1 calc R . . . .
C59 C 0.6381(3) 0.35887(16) -0.34813(13) 0.0208(5) Uani 1 1 d . . . . .
C60 C 0.6247(3) 0.34633(15) -0.42437(13) 0.0188(5) Uani 1 1 d . . . . .
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'
Eu Eu -0.1578 3.6682 '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'
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
Eu1 Eu1 Eu2 116.031(5) 2_766 2 ?
Eu1 Eu1 Eu2 96.031(5) 2_766 1_666 ?
O1 Eu1 Eu1 169.63(5) . 2_766 ?
O1 Eu1 Eu2 92.51(5) . 1_666 ?
O1 Eu1 Eu2 73.34(5) . 2 ?
O1 Eu1 Eu3 105.25(5) . 1_666 ?
O1 Eu1 O9 75.16(6) . . ?
O1 Eu1 O5 74.12(6) . . ?
O1 Eu1 O14 98.79(7) . . ?
O1 Eu1 O13 83.80(6) . . ?
O1 Eu1 O15 148.22(6) . . ?
O1 Eu1 O15 140.62(6) . 2_766 ?
Eu2 Eu1 Eu2 61.347(4) 1_666 2 ?
Eu3 Eu1 Eu1 72.779(5) 1_666 2_766 ?
Eu3 Eu1 Eu2 68.023(4) 1_666 1_666 ?
Eu3 Eu1 Eu2 129.130(4) 1_666 2 ?
O9 Eu1 Eu1 97.21(4) . 2_766 ?
O9 Eu1 Eu2 143.43(4) . 2 ?
O9 Eu1 Eu2 102.36(4) . 1_666 ?
O9 Eu1 Eu3 45.28(4) . 1_666 ?
O9 Eu1 O5 142.81(5) . . ?
O7 Eu1 Eu1 77.65(4) . 2_766 ?
O7 Eu1 O1 93.38(7) . . ?
O7 Eu1 Eu2 172.46(5) . 1_666 ?
O7 Eu1 Eu2 125.05(5) . 2 ?
O7 Eu1 Eu3 105.81(5) . 1_666 ?
O7 Eu1 O9 74.67(6) . . ?
O7 Eu1 O5 86.71(6) . . ?
O7 Eu1 O14 147.86(6) . . ?
O7 Eu1 O13 141.99(6) . . ?
O7 Eu1 O15 74.48(6) . . ?
O7 Eu1 O15 85.16(6) . 2_766 ?
O5 Eu1 Eu1 110.08(4) . 2_766 ?
O5 Eu1 Eu2 99.43(4) . 1_666 ?
O5 Eu1 Eu2 38.37(4) . 2 ?
O5 Eu1 Eu3 167.45(4) . 1_666 ?
O14 Eu1 Eu1 91.58(4) . 2_766 ?
O14 Eu1 Eu2 35.15(4) . 2 ?
O14 Eu1 Eu2 34.92(4) . 1_666 ?
O14 Eu1 Eu3 99.51(4) . 1_666 ?
O14 Eu1 O9 137.23(6) . . ?
O14 Eu1 O5 68.49(5) . . ?
O14 Eu1 O13 69.31(5) . . ?
O13 Eu1 Eu1 100.00(4) . 2_766 ?
O13 Eu1 Eu2 34.41(4) . 1_666 ?
O13 Eu1 Eu2 90.51(4) . 2 ?
O13 Eu1 Eu3 40.40(4) . 1_666 ?
O13 Eu1 O9 67.95(6) . . ?
O13 Eu1 O5 128.00(5) . . ?
O15 Eu1 Eu1 34.61(3) 2_766 2_766 ?
O15 Eu1 Eu1 34.18(4) . 2_766 ?
O15 Eu1 Eu2 137.42(4) 2_766 2 ?
O15 Eu1 Eu2 87.30(4) 2_766 1_666 ?
O15 Eu1 Eu2 102.65(4) . 1_666 ?
O15 Eu1 Eu2 89.54(4) . 2 ?
O15 Eu1 Eu3 39.18(3) 2_766 1_666 ?
O15 Eu1 Eu3 106.30(4) . 1_666 ?
O15 Eu1 O9 66.49(5) 2_766 . ?
O15 Eu1 O9 126.90(6) . . ?
O15 Eu1 O5 144.68(5) 2_766 . ?
O15 Eu1 O5 75.91(5) . . ?
O15 Eu1 O14 79.69(5) . . ?
O15 Eu1 O14 103.10(5) 2_766 . ?
O15 Eu1 O13 74.09(5) 2_766 . ?
O15 Eu1 O13 123.79(5) . . ?
O15 Eu1 O15 68.79(6) 2_766 . ?
O1 C1 C2 117.1(2) . . ?
O2 C1 O1 124.1(2) . . ?
O2 C1 C2 118.8(2) . . ?
C1 O1 Eu1 131.38(17) . . ?
C11 N1 S1 106.57(18) . . ?
N1 S1 N2 101.31(12) . . ?
Eu1 Eu2 Eu1 118.652(4) 1_444 2 ?
Eu1 Eu2 Eu2 59.033(3) 2 2_444 ?
Eu1 Eu2 Eu2 59.618(4) 1_444 2_444 ?
Eu1 Eu2 Eu3 170.504(4) 2 . ?
Eu1 Eu2 Eu3 52.871(4) 1_444 . ?
Eu2 Eu2 Eu3 112.320(5) 2_444 . ?
O2 Eu2 Eu1 63.21(5) 2 2 ?
O2 Eu2 Eu1 106.30(4) 2 1_444 ?
O2 Eu2 Eu2 80.27(5) 2 2_444 ?
O2 Eu2 Eu3 121.24(5) 2 . ?
O2 Eu2 O5 71.44(6) 2 2 ?
O5 Eu2 Eu1 157.31(4) 2 1_444 ?
O5 Eu2 Eu1 39.42(4) 2 2 ?
O5 Eu2 Eu2 98.17(4) 2 2_444 ?
O5 Eu2 Eu3 148.16(4) 2 . ?
O4 Eu2 Eu1 118.39(4) . 2 ?
O4 Eu2 Eu1 121.88(4) . 1_444 ?
O4 Eu2 Eu2 169.60(4) . 2_444 ?
O4 Eu2 O2 107.96(6) . 2 ?
O4 Eu2 Eu3 69.31(4) . . ?
O4 Eu2 O5 79.04(6) . 2 ?
O8 Eu2 Eu1 136.40(5) 2_655 2 ?
O8 Eu2 Eu1 73.94(5) 2_655 1_444 ?
O8 Eu2 Eu2 116.20(5) 2_655 2_444 ?
O8 Eu2 O2 73.21(7) 2_655 2 ?
O8 Eu2 Eu3 49.19(5) 2_655 . ?
O8 Eu2 O5 124.56(6) 2_655 2 ?
O8 Eu2 O4 72.99(6) 2_655 . ?
C3 C2 C1 120.4(2) . . ?
C4 C2 C1 121.2(2) . . ?
C4 C2 C3 118.4(2) . . ?
C1 O2 Eu2 140.92(17) . 2 ?
C9 N2 S1 106.21(18) . . ?
N4 S2 N3 101.31(12) . . ?
Eu1 Eu3 Eu1 55.896(4) 1_444 2_655 ?
Eu1 Eu3 Eu2 59.107(3) 1_444 . ?
Eu2 Eu3 Eu1 83.413(4) . 2_655 ?
O3 Eu3 Eu1 122.63(5) . 2_655 ?
O3 Eu3 Eu1 117.64(5) . 1_444 ?
O3 Eu3 Eu2 59.06(5) . . ?
O3 Eu3 O9 135.46(6) . 1_444 ?
O3 Eu3 O6 86.83(6) . 2_655 ?
O3 Eu3 O11 141.70(7) . 2_654 ?
O3 Eu3 O10 94.48(7) . 1_444 ?
O3 Eu3 O15 131.43(6) . 2_655 ?
O3 Eu3 O1W 72.31(8) . . ?
O3 Eu3 C41 116.87(7) . 1_444 ?
O9 Eu3 Eu1 43.00(4) 1_444 1_444 ?
O9 Eu3 Eu1 82.40(4) 1_444 2_655 ?
O9 Eu3 Eu2 92.79(4) 1_444 . ?
O9 Eu3 C41 25.83(6) 1_444 1_444 ?
O6 Eu3 Eu1 57.07(4) 2_655 2_655 ?
O6 Eu3 Eu1 111.27(4) 2_655 1_444 ?
O6 Eu3 Eu2 100.43(4) 2_655 . ?
O6 Eu3 O9 134.94(6) 2_655 1_444 ?
O6 Eu3 O10 162.38(7) 2_655 1_444 ?
O6 Eu3 O15 75.83(5) 2_655 2_655 ?
O6 Eu3 O1W 84.89(8) 2_655 . ?
O6 Eu3 C41 155.85(7) 2_655 1_444 ?
O11 Eu3 Eu1 100.65(5) 2_654 1_444 ?
O11 Eu3 Eu1 77.41(5) 2_654 2_655 ?
O11 Eu3 Eu2 158.04(5) 2_654 . ?
O11 Eu3 O9 74.29(6) 2_654 1_444 ?
O11 Eu3 O6 78.05(6) 2_654 2_655 ?
O11 Eu3 O10 90.34(7) 2_654 1_444 ?
O11 Eu3 O15 78.68(6) 2_654 2_655 ?
O11 Eu3 O1W 71.45(8) 2_654 . ?
O11 Eu3 C41 79.98(7) 2_654 1_444 ?
O10 Eu3 Eu1 133.58(4) 1_444 2_655 ?
O10 Eu3 Eu1 83.67(5) 1_444 1_444 ?
O10 Eu3 Eu2 95.26(5) 1_444 . ?
O10 Eu3 O9 51.24(6) 1_444 1_444 ?
O10 Eu3 C41 25.52(7) 1_444 1_444 ?
O15 Eu3 Eu1 18.80(3) 2_655 2_655 ?
O15 Eu3 Eu1 38.67(3) 2_655 1_444 ?
O15 Eu3 Eu2 79.72(4) 2_655 . ?
O15 Eu3 O9 64.41(5) 2_655 1_444 ?
O15 Eu3 O10 115.19(6) 2_655 1_444 ?
O15 Eu3 O1W 147.21(7) 2_655 . ?
O15 Eu3 C41 90.18(6) 2_655 1_444 ?
O1W Eu3 Eu1 160.64(6) . 1_444 ?
O1W Eu3 Eu1 135.03(6) . 2_655 ?
O1W Eu3 Eu2 130.47(6) . . ?
O1W Eu3 O9 117.90(7) . 1_444 ?
O1W Eu3 O10 78.82(8) . 1_444 ?
O1W Eu3 C41 97.53(8) . 1_444 ?
C41 Eu3 Eu1 63.33(5) 1_444 1_444 ?
C41 Eu3 Eu1 108.22(5) 1_444 2_655 ?
C41 Eu3 Eu2 96.20(5) 1_444 . ?
C2 C3 H3 119.4 . . ?
C6 C3 C2 121.2(2) . . ?
C6 C3 H3 119.4 . . ?
C20 O3 Eu3 149.37(17) . . ?
C31 N3 S2 105.96(18) . . ?
N5 S3 N6 100.93(13) . . ?
N2 C9 C8 125.6(2) . . ?
N2 C9 C11 112.9(2) . . ?
C8 C9 C11 121.5(2) . . ?
Eu1 O9 Eu3 91.72(5) . 1_666 ?
C41 O9 Eu1 134.75(17) . . ?
C41 O9 Eu3 90.28(15) . 1_666 ?
C6 C7 C8 121.9(2) . . ?
C5 C7 C6 117.8(2) . . ?
C5 C7 C8 120.0(2) . . ?
C40 O7 Eu1 148.09(17) . . ?
C50 N6 S3 106.95(19) . . ?
C21 O6 Eu3 144.55(16) . 2_655 ?
C3 C6 C7 120.5(2) . . ?
C3 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C51 N5 S3 107.19(19) . . ?
Eu2 O5 Eu1 102.20(6) 2 . ?
C21 O5 Eu1 120.94(14) . . ?
C21 O5 Eu2 135.48(15) . 2 ?
C7 C5 H5 119.5 . . ?
C4 C5 C7 121.1(2) . . ?
C4 C5 H5 119.5 . . ?
C30 N4 S2 106.44(18) . . ?
C20 O4 Eu2 127.98(16) . . ?
C2 C4 C5 120.5(2) . . ?
C2 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C9 C8 C7 125.3(2) . . ?
C10 C8 C9 114.9(2) . . ?
C10 C8 C7 119.7(2) . . ?
C40 O8 Eu2 148.17(18) . 2_655 ?
C60 O11 Eu3 161.54(19) . 2_654 ?
N1 C11 C9 113.0(2) . . ?
N1 C11 C13 125.4(2) . . ?
C13 C11 C9 121.6(2) . . ?
C10 C12 H12 118.2 . . ?
C13 C12 H12 118.2 . . ?
C13 C12 C10 123.6(3) . . ?
C41 O10 Eu3 97.12(16) . 1_666 ?
C8 C10 C12 123.6(2) . . ?
C8 C10 H10 118.2 . . ?
C12 C10 H10 118.2 . . ?
C15 C14 C13 122.3(2) . . ?
C15 C14 C16 117.7(2) . . ?
C16 C14 C13 119.9(2) . . ?
C11 C13 C14 124.2(2) . . ?
C12 C13 C11 114.8(2) . . ?
C12 C13 C14 120.9(2) . . ?
C14 C15 H15 119.6 . . ?
C17 C15 C14 120.9(2) . . ?
C17 C15 H15 119.6 . . ?
Eu1 O15 Eu1 111.21(6) 2_766 . ?
Eu1 O15 Eu3 102.15(5) 2_766 2_655 ?
Eu3 O15 Eu1 142.39(6) 2_655 . ?
C16 C18 H18 119.7 . . ?
C16 C18 C19 120.7(2) . . ?
C19 C18 H18 119.7 . . ?
C15 C17 H17 119.5 . . ?
C15 C17 C19 121.1(2) . . ?
C19 C17 H17 119.5 . . ?
C14 C16 H16 119.3 . . ?
C18 C16 C14 121.4(2) . . ?
C18 C16 H16 119.3 . . ?
C18 C19 C17 118.1(2) . . ?
C18 C19 C20 121.2(2) . . ?
C17 C19 C20 120.6(2) . . ?
C22 C23 H23 119.9 . . ?
C26 C23 H23 119.9 . . ?
C26 C23 C22 120.2(2) . . ?
C23 C22 C21 122.2(2) . . ?
C24 C22 C23 119.3(2) . . ?
C24 C22 C21 118.4(2) . . ?
O6 C21 O5 123.9(2) . . ?
O6 C21 C22 116.5(2) . . ?
O5 C21 C22 119.4(2) . . ?
O3 C20 C19 116.4(2) . . ?
O4 C20 O3 124.6(2) . . ?
O4 C20 C19 119.0(2) . . ?
Eu3 O1W H1WA 110.1 . . ?
Eu3 O1W H1WB 109.3 . . ?
H1WA O1W H1WB 104.0 . . ?
C22 C24 H24 119.8 . . ?
C25 C24 C22 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 119.5 . . ?
C24 C25 C27 121.0(2) . . ?
C27 C25 H25 119.5 . . ?
C25 C27 C26 118.6(2) . . ?
C25 C27 C28 120.6(2) . . ?
C26 C27 C28 120.8(2) . . ?
C23 C26 C27 120.5(2) . . ?
C23 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C29 C28 C27 123.1(2) . . ?
C29 C28 C30 115.6(2) . . ?
C30 C28 C27 121.4(2) . . ?
C28 C29 H29 118.4 . . ?
C28 C29 C32 123.1(3) . . ?
C32 C29 H29 118.4 . . ?
N4 C30 C28 125.7(2) . . ?
N4 C30 C31 112.8(2) . . ?
C28 C30 C31 121.5(2) . . ?
N3 C31 C30 113.5(2) . . ?
N3 C31 C33 125.4(2) . . ?
C33 C31 C30 121.0(2) . . ?
C29 C32 H32 118.4 . . ?
C33 C32 C29 123.1(3) . . ?
C33 C32 H32 118.4 . . ?
C31 C33 C34 121.4(2) . 2_655 ?
C32 C33 C31 115.7(2) . . ?
C32 C33 C34 122.9(2) . 2_655 ?
C35 C34 C33 120.1(2) . 2_655 ?
C36 C34 C33 121.1(2) . 2_655 ?
C36 C34 C35 118.8(2) . . ?
C34 C35 H35 119.8 . . ?
C38 C35 C34 120.5(2) . . ?
C38 C35 H35 119.8 . . ?
C34 C36 H36 119.6 . . ?
C37 C36 C34 120.7(2) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 120.1 . . ?
C39 C37 C36 119.8(2) . . ?
C39 C37 H37 120.1 . . ?
C35 C38 H38 119.8 . . ?
C35 C38 C39 120.5(2) . . ?
C39 C38 H38 119.8 . . ?
C37 C39 C38 119.7(2) . . ?
C37 C39 C40 121.5(2) . . ?
C38 C39 C40 118.8(2) . . ?
O7 C40 O8 124.3(2) . . ?
O7 C40 C39 116.6(2) . . ?
O8 C40 C39 119.0(2) . . ?
O9 C41 Eu3 63.89(13) . 1_666 ?
O9 C41 C42 119.2(2) . . ?
O10 C41 Eu3 57.36(13) . 1_666 ?
O10 C41 O9 120.9(2) . . ?
O10 C41 C42 119.9(2) . . ?
C42 C41 Eu3 171.45(19) . 1_666 ?
C43 C42 C41 120.3(3) . . ?
C44 C42 C41 120.8(2) . . ?
C44 C42 C43 118.8(3) . . ?
C42 C43 H43 119.9 . . ?
C46 C43 C42 120.2(3) . . ?
C46 C43 H43 119.9 . . ?
C42 C44 H44 119.7 . . ?
C42 C44 C45 120.6(3) . . ?
C45 C44 H44 119.7 . . ?
C44 C45 H45 119.4 . . ?
C44 C45 C47 121.2(3) . . ?
C47 C45 H45 119.4 . . ?
C43 C46 H46 118.9 . . ?
C43 C46 C47 122.2(3) . . ?
C47 C46 H46 118.9 . . ?
C45 C47 C48 123.3(3) . . ?
C46 C47 C45 117.0(2) . . ?
C46 C47 C48 119.7(2) . . ?
C49 C48 C47 121.8(2) . . ?
C49 C48 C50 113.9(2) . . ?
C50 C48 C47 124.3(2) . . ?
C48 C49 H49 117.7 . . ?
C48 C49 C52 124.7(3) . . ?
C52 C49 H49 117.7 . . ?
N6 C50 C48 125.7(2) . . ?
N6 C50 C51 112.6(2) . . ?
C48 C50 C51 121.7(2) . . ?
N5 C51 C50 112.3(2) . . ?
N5 C51 C53 125.7(2) . . ?
C53 C51 C50 122.0(2) . . ?
C49 C52 H52 118.2 . . ?
C53 C52 C49 123.6(3) . . ?
C53 C52 H52 118.2 . . ?
C51 C53 C54 124.0(2) . . ?
C52 C53 C51 114.2(2) . . ?
C52 C53 C54 121.8(2) . . ?
C55 C54 C53 120.6(2) . . ?
C55 C54 C56 116.4(2) . . ?
C56 C54 C53 123.0(2) . . ?
C54 C55 H55 119.1 . . ?
C58 C55 C54 121.8(3) . . ?
C58 C55 H55 119.1 . . ?
C54 C56 H56 119.3 . . ?
C57 C56 C54 121.4(3) . . ?
C57 C56 H56 119.3 . . ?
C56 C57 H57 119.2 . . ?
C59 C57 C56 121.7(3) . . ?
C59 C57 H57 119.2 . . ?
C55 C58 H58 119.6 . . ?
C59 C58 C55 120.9(3) . . ?
C59 C58 H58 119.6 . . ?
C57 C59 C58 117.5(2) . . ?
C57 C59 C60 120.8(2) . . ?
C58 C59 C60 121.6(2) . . ?
O11 C60 O12 123.9(2) . . ?
O11 C60 C59 117.9(2) . . ?
O12 C60 C59 118.2(2) . . ?
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
Eu1 Eu1 3.8887(2) 2_766 ?
Eu1 O1 2.3360(18) . ?
Eu1 Eu2 3.9702(2) 2 ?
Eu1 Eu2 3.94618(18) 1_666 ?
Eu1 Eu3 3.6664(2) 1_666 ?
Eu1 O9 2.5018(18) . ?
Eu1 O7 2.3009(17) . ?
Eu1 O5 2.5797(17) . ?
Eu1 O14 2.3724(16) . ?
Eu1 O13 2.4064(16) . ?
Eu1 O15 2.3694(14) . ?
Eu1 O15 2.3433(14) 2_766 ?
C1 O1 1.261(3) . ?
C1 C2 1.505(3) . ?
C1 O2 1.252(3) . ?
N1 S1 1.609(2) . ?
N1 C11 1.346(3) . ?
S1 N2 1.618(2) . ?
Eu2 Eu2 4.0386(3) 2_444 ?
Eu2 O2 2.4438(18) 2 ?
Eu2 Eu3 4.2645(2) . ?
Eu2 O5 2.5215(16) 2 ?
Eu2 O4 2.4349(17) . ?
Eu2 O8 2.3717(18) 2_655 ?
C2 C3 1.391(4) . ?
C2 C4 1.384(3) . ?
N2 C9 1.351(3) . ?
S2 N3 1.609(2) . ?
S2 N4 1.607(2) . ?
Eu3 O3 2.3346(18) . ?
Eu3 O9 2.6063(18) 1_444 ?
Eu3 O6 2.3420(16) 2_655 ?
Eu3 O11 2.3414(18) 2_654 ?
Eu3 O10 2.4631(18) 1_444 ?
Eu3 O15 2.3694(14) 2_655 ?
Eu3 O1W 2.440(2) . ?
Eu3 C41 2.902(3) 1_444 ?
C3 H3 0.9300 . ?
C3 C6 1.381(3) . ?
O3 C20 1.261(3) . ?
N3 C31 1.342(3) . ?
S3 N6 1.607(2) . ?
S3 N5 1.602(2) . ?
C9 C8 1.426(4) . ?
C9 C11 1.443(3) . ?
O9 C41 1.265(3) . ?
C7 C6 1.396(4) . ?
C7 C5 1.396(4) . ?
C7 C8 1.482(3) . ?
O7 C40 1.246(3) . ?
N6 C50 1.340(3) . ?
O6 C21 1.249(3) . ?
C6 H6 0.9300 . ?
N5 C51 1.342(3) . ?
O5 C21 1.272(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.387(3) . ?
N4 C30 1.342(3) . ?
O4 C20 1.249(3) . ?
C4 H4 0.9300 . ?
C8 C10 1.371(4) . ?
O8 C40 1.248(3) . ?
O11 C60 1.241(3) . ?
C11 C13 1.428(4) . ?
O12 C60 1.258(3) . ?
C12 H12 0.9300 . ?
C12 C10 1.419(4) . ?
C12 C13 1.370(4) . ?
O10 C41 1.260(3) . ?
C10 H10 0.9300 . ?
C14 C13 1.488(3) . ?
C14 C15 1.392(4) . ?
C14 C16 1.393(4) . ?
C15 H15 0.9300 . ?
C15 C17 1.384(4) . ?
C18 H18 0.9300 . ?
C18 C16 1.385(3) . ?
C18 C19 1.385(3) . ?
C17 H17 0.9300 . ?
C17 C19 1.393(3) . ?
C16 H16 0.9300 . ?
C19 C20 1.505(3) . ?
C23 H23 0.9300 . ?
C23 C22 1.390(3) . ?
C23 C26 1.387(3) . ?
C22 C21 1.488(3) . ?
C22 C24 1.385(3) . ?
O1W H1WA 0.8606 . ?
O1W H1WB 0.8601 . ?
C24 H24 0.9300 . ?
C24 C25 1.375(3) . ?
C25 H25 0.9300 . ?
C25 C27 1.389(4) . ?
C27 C26 1.394(3) . ?
C27 C28 1.479(3) . ?
C26 H26 0.9300 . ?
C28 C29 1.371(4) . ?
C28 C30 1.426(4) . ?
C29 H29 0.9300 . ?
C29 C32 1.414(3) . ?
C30 C31 1.432(3) . ?
C31 C33 1.429(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.371(4) . ?
C33 C34 1.478(3) 2_655 ?
C34 C35 1.394(4) . ?
C34 C36 1.393(4) . ?
C35 H35 0.9300 . ?
C35 C38 1.376(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.388(3) . ?
C37 H37 0.9300 . ?
C37 C39 1.383(3) . ?
C38 H38 0.9300 . ?
C38 C39 1.389(3) . ?
C39 C40 1.502(3) . ?
C41 C42 1.489(3) . ?
C42 C43 1.382(4) . ?
C42 C44 1.376(4) . ?
C43 H43 0.9300 . ?
C43 C46 1.375(4) . ?
C44 H44 0.9300 . ?
C44 C45 1.388(4) . ?
C45 H45 0.9300 . ?
C45 C47 1.392(4) . ?
C46 H46 0.9300 . ?
C46 C47 1.383(4) . ?
C47 C48 1.487(3) . ?
C48 C49 1.377(4) . ?
C48 C50 1.429(4) . ?
C49 H49 0.9300 . ?
C49 C52 1.415(4) . ?
C50 C51 1.451(3) . ?
C51 C53 1.433(4) . ?
C52 H52 0.9300 . ?
C52 C53 1.375(4) . ?
C53 C54 1.490(3) . ?
C54 C55 1.385(4) . ?
C54 C56 1.386(4) . ?
C55 H55 0.9300 . ?
C55 C58 1.379(4) . ?
C56 H56 0.9300 . ?
C56 C57 1.373(4) . ?
C57 H57 0.9300 . ?
C57 C59 1.372(4) . ?
C58 H58 0.9300 . ?
C58 C59 1.377(4) . ?
C59 C60 1.500(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O9 C41 Eu3 92.70(19) . . . 1_666 ?
Eu1 O9 C41 O10 85.6(3) . . . . ?
Eu1 O9 C41 C42 -96.3(3) . . . . ?
Eu1 O7 C40 O8 -73.8(4) . . . . ?
Eu1 O7 C40 C39 105.4(3) . . . . ?
Eu1 O5 C21 O6 54.7(3) . . . . ?
Eu1 O5 C21 C22 -121.04(19) . . . . ?
C1 C2 C3 C6 170.4(3) . . . . ?
C1 C2 C4 C5 -170.4(3) . . . . ?
O1 C1 C2 C3 13.8(4) . . . . ?
O1 C1 C2 C4 -170.1(3) . . . . ?
O1 C1 O2 Eu2 -41.0(4) . . . 2 ?
N1 S1 N2 C9 0.4(2) . . . . ?
N1 C11 C13 C12 -176.2(3) . . . . ?
N1 C11 C13 C14 5.6(4) . . . . ?
S1 N1 C11 C9 -0.7(3) . . . . ?
S1 N1 C11 C13 177.0(2) . . . . ?
S1 N2 C9 C8 -177.5(2) . . . . ?
S1 N2 C9 C11 -0.9(3) . . . . ?
Eu2 O5 C21 O6 -109.2(2) 2 . . . ?
Eu2 O5 C21 C22 75.0(3) 2 . . . ?
Eu2 O4 C20 O3 32.4(4) . . . . ?
Eu2 O4 C20 C19 -145.52(18) . . . . ?
Eu2 O8 C40 O7 -67.9(4) 2_655 . . . ?
Eu2 O8 C40 C39 112.9(3) 2_655 . . . ?
C2 C1 O1 Eu1 -158.40(17) . . . . ?
C2 C1 O2 Eu2 135.4(2) . . . 2 ?
C2 C3 C6 C7 -0.4(4) . . . . ?
O2 C1 O1 Eu1 18.1(4) . . . . ?
O2 C1 C2 C3 -162.8(2) . . . . ?
O2 C1 C2 C4 13.2(4) . . . . ?
N2 C9 C8 C7 -8.1(4) . . . . ?
N2 C9 C8 C10 174.9(2) . . . . ?
N2 C9 C11 N1 1.1(3) . . . . ?
N2 C9 C11 C13 -176.7(2) . . . . ?
S2 N3 C31 C30 0.1(3) . . . . ?
S2 N3 C31 C33 -177.3(2) . . . . ?
S2 N4 C30 C28 177.2(2) . . . . ?
S2 N4 C30 C31 0.3(3) . . . . ?
Eu3 O3 C20 O4 -51.3(5) . . . . ?
Eu3 O3 C20 C19 126.7(3) . . . . ?
Eu3 O9 C41 O10 -7.1(3) 1_666 . . . ?
Eu3 O9 C41 C42 171.0(2) 1_666 . . . ?
Eu3 O6 C21 O5 18.7(4) 2_655 . . . ?
Eu3 O6 C21 C22 -165.39(19) 2_655 . . . ?
Eu3 O11 C60 O12 105.7(5) 2_654 . . . ?
Eu3 O11 C60 C59 -72.6(6) 2_654 . . . ?
Eu3 O10 C41 O9 7.5(3) 1_666 . . . ?
Eu3 O10 C41 C42 -170.5(2) 1_666 . . . ?
C3 C2 C4 C5 5.8(4) . . . . ?
N3 S2 N4 C30 -0.2(2) . . . . ?
N3 C31 C33 C32 177.0(3) . . . . ?
N3 C31 C33 C34 -3.2(4) . . . 2_655 ?
S3 N6 C50 C48 -179.3(2) . . . . ?
S3 N6 C50 C51 0.2(3) . . . . ?
S3 N5 C51 C50 -1.3(3) . . . . ?
S3 N5 C51 C53 177.7(2) . . . . ?
C9 C8 C10 C12 1.5(4) . . . . ?
C9 C11 C13 C12 1.3(4) . . . . ?
C9 C11 C13 C14 -176.9(2) . . . . ?
O9 C41 C42 C43 169.9(3) . . . . ?
O9 C41 C42 C44 -13.3(4) . . . . ?
C7 C5 C4 C2 0.3(4) . . . . ?
C7 C8 C10 C12 -175.7(2) . . . . ?
N6 S3 N5 C51 1.3(2) . . . . ?
N6 C50 C51 N5 0.7(3) . . . . ?
N6 C50 C51 C53 -178.3(2) . . . . ?
C6 C7 C5 C4 -6.4(4) . . . . ?
C6 C7 C8 C9 -40.3(4) . . . . ?
C6 C7 C8 C10 136.5(3) . . . . ?
N5 S3 N6 C50 -0.9(2) . . . . ?
N5 C51 C53 C52 -179.0(3) . . . . ?
N5 C51 C53 C54 -1.4(4) . . . . ?
C5 C7 C6 C3 6.4(4) . . . . ?
C5 C7 C8 C9 145.9(3) . . . . ?
C5 C7 C8 C10 -37.3(4) . . . . ?
N4 S2 N3 C31 0.1(2) . . . . ?
N4 C30 C31 N3 -0.3(3) . . . . ?
N4 C30 C31 C33 177.3(2) . . . . ?
C4 C2 C3 C6 -5.8(4) . . . . ?
C8 C9 C11 N1 177.9(2) . . . . ?
C8 C9 C11 C13 0.1(4) . . . . ?
C8 C7 C6 C3 -167.5(3) . . . . ?
C8 C7 C5 C4 167.6(3) . . . . ?
C11 N1 S1 N2 0.2(2) . . . . ?
C11 C9 C8 C7 175.5(2) . . . . ?
C11 C9 C8 C10 -1.5(4) . . . . ?
O10 C41 C42 C43 -12.0(4) . . . . ?
O10 C41 C42 C44 164.8(3) . . . . ?
C10 C12 C13 C11 -1.4(4) . . . . ?
C10 C12 C13 C14 176.9(3) . . . . ?
C14 C15 C17 C19 -1.0(4) . . . . ?
C13 C12 C10 C8 -0.1(4) . . . . ?
C13 C14 C15 C17 173.0(3) . . . . ?
C13 C14 C16 C18 -172.1(3) . . . . ?
C15 C14 C13 C11 38.6(4) . . . . ?
C15 C14 C13 C12 -139.5(3) . . . . ?
C15 C14 C16 C18 3.9(4) . . . . ?
C15 C17 C19 C18 4.1(4) . . . . ?
C15 C17 C19 C20 -171.5(3) . . . . ?
C18 C19 C20 O3 173.1(2) . . . . ?
C18 C19 C20 O4 -8.8(4) . . . . ?
C17 C19 C20 O3 -11.4(4) . . . . ?
C17 C19 C20 O4 166.7(2) . . . . ?
C16 C14 C13 C11 -145.6(3) . . . . ?
C16 C14 C13 C12 36.4(4) . . . . ?
C16 C14 C15 C17 -3.0(4) . . . . ?
C16 C18 C19 C17 -3.2(4) . . . . ?
C16 C18 C19 C20 172.4(3) . . . . ?
C19 C18 C16 C14 -0.9(4) . . . . ?
C23 C22 C21 O6 -174.5(2) . . . . ?
C23 C22 C21 O5 1.6(4) . . . . ?
C23 C22 C24 C25 0.2(4) . . . . ?
C22 C23 C26 C27 0.4(4) . . . . ?
C22 C24 C25 C27 0.7(4) . . . . ?
C21 C22 C24 C25 -176.0(2) . . . . ?
C24 C22 C21 O6 1.6(3) . . . . ?
C24 C22 C21 O5 177.7(2) . . . . ?
C24 C25 C27 C26 -0.9(4) . . . . ?
C24 C25 C27 C28 179.9(3) . . . . ?
C25 C27 C26 C23 0.4(4) . . . . ?
C25 C27 C28 C29 -147.4(3) . . . . ?
C25 C27 C28 C30 32.8(4) . . . . ?
C27 C28 C29 C32 -179.7(2) . . . . ?
C27 C28 C30 N4 3.0(4) . . . . ?
C27 C28 C30 C31 179.6(2) . . . . ?
C26 C23 C22 C21 175.4(2) . . . . ?
C26 C23 C22 C24 -0.7(4) . . . . ?
C26 C27 C28 C29 33.4(4) . . . . ?
C26 C27 C28 C30 -146.4(3) . . . . ?
C28 C27 C26 C23 179.6(2) . . . . ?
C28 C29 C32 C33 0.0(4) . . . . ?
C28 C30 C31 N3 -177.3(2) . . . . ?
C28 C30 C31 C33 0.3(4) . . . . ?
C29 C28 C30 N4 -176.8(3) . . . . ?
C29 C28 C30 C31 -0.1(4) . . . . ?
C29 C32 C33 C31 0.2(4) . . . . ?
C29 C32 C33 C34 -179.6(3) . . . 2_655 ?
C30 C28 C29 C32 0.0(4) . . . . ?
C30 C31 C33 C32 -0.3(4) . . . . ?
C30 C31 C33 C34 179.5(2) . . . 2_655 ?
C33 C34 C35 C38 178.7(2) 2_655 . . . ?
C33 C34 C36 C37 -178.8(2) 2_655 . . . ?
C34 C35 C38 C39 0.1(4) . . . . ?
C34 C36 C37 C39 0.1(4) . . . . ?
C35 C34 C36 C37 0.3(4) . . . . ?
C35 C38 C39 C37 0.3(4) . . . . ?
C35 C38 C39 C40 -179.2(2) . . . . ?
C36 C34 C35 C38 -0.4(4) . . . . ?
C36 C37 C39 C38 -0.4(4) . . . . ?
C36 C37 C39 C40 179.1(2) . . . . ?
C37 C39 C40 O7 175.0(2) . . . . ?
C37 C39 C40 O8 -5.8(4) . . . . ?
C38 C39 C40 O7 -5.5(3) . . . . ?
C38 C39 C40 O8 173.7(2) . . . . ?
C41 C42 C43 C46 177.4(3) . . . . ?
C41 C42 C44 C45 -177.3(3) . . . . ?
C42 C43 C46 C47 -0.4(5) . . . . ?
C42 C44 C45 C47 0.3(5) . . . . ?
C43 C42 C44 C45 -0.5(5) . . . . ?
C43 C46 C47 C45 0.2(5) . . . . ?
C43 C46 C47 C48 -179.3(3) . . . . ?
C44 C42 C43 C46 0.6(5) . . . . ?
C44 C45 C47 C46 -0.1(4) . . . . ?
C44 C45 C47 C48 179.4(3) . . . . ?
C45 C47 C48 C49 169.7(3) . . . . ?
C45 C47 C48 C50 -12.1(4) . . . . ?
C46 C47 C48 C49 -10.8(4) . . . . ?
C46 C47 C48 C50 167.4(3) . . . . ?
C47 C48 C49 C52 178.1(3) . . . . ?
C47 C48 C50 N6 0.2(5) . . . . ?
C47 C48 C50 C51 -179.3(2) . . . . ?
C48 C49 C52 C53 1.4(5) . . . . ?
C48 C50 C51 N5 -179.8(3) . . . . ?
C48 C50 C51 C53 1.2(4) . . . . ?
C49 C48 C50 N6 178.5(3) . . . . ?
C49 C48 C50 C51 -1.0(4) . . . . ?
C49 C52 C53 C51 -1.1(4) . . . . ?
C49 C52 C53 C54 -178.7(3) . . . . ?
C50 C48 C49 C52 -0.3(4) . . . . ?
C50 C51 C53 C52 -0.1(4) . . . . ?
C50 C51 C53 C54 177.4(2) . . . . ?
C51 C53 C54 C55 177.2(3) . . . . ?
C51 C53 C54 C56 -3.4(4) . . . . ?
C52 C53 C54 C55 -5.4(4) . . . . ?
C52 C53 C54 C56 174.0(3) . . . . ?
C53 C54 C55 C58 176.7(3) . . . . ?
C53 C54 C56 C57 -175.5(3) . . . . ?
C54 C55 C58 C59 -1.9(6) . . . . ?
C54 C56 C57 C59 -0.5(5) . . . . ?
C55 C54 C56 C57 4.0(5) . . . . ?
C55 C58 C59 C57 5.4(5) . . . . ?
C55 C58 C59 C60 -172.9(3) . . . . ?
C56 C54 C55 C58 -2.8(5) . . . . ?
C56 C57 C59 C58 -4.2(5) . . . . ?
C56 C57 C59 C60 174.1(3) . . . . ?
C57 C59 C60 O11 -16.7(4) . . . . ?
C57 C59 C60 O12 164.9(3) . . . . ?
C58 C59 C60 O11 161.5(3) . . . . ?
C58 C59 C60 O12 -16.9(4) . . . . ?
