#------------------------------------------------------------------------------
#$Date: 2023-07-12 01:03:05 +0300 (Wed, 12 Jul 2023) $
#$Revision: 285158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/18/7131876.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_7131876
loop_
_publ_author_name
'Demakov, Pavel A.'
'Dybtsev, Danil N.'
'Fedin, Vladimir P.'
_publ_section_title
;
 Diastereoselective guest-shape dependent [2+2]-photodimerization of
 2-cyclopenten-1-one trapped within a metal-organic framework.
;
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/d3cc02162a
_journal_year                    2023
_chemical_formula_sum            'C60 H56 Eu2 N2 O20 S6'
_chemical_formula_weight         1621.34
_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   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-06-02 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                99.941(3)
_cell_angle_beta                 100.886(3)
_cell_angle_gamma                108.091(3)
_cell_formula_units_Z            1
_cell_length_a                   11.4544(4)
_cell_length_b                   12.0514(4)
_cell_length_c                   13.0101(4)
_cell_measurement_reflns_used    7685
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.74
_cell_measurement_theta_min      2.68
_cell_volume                     1624.16(10)
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12730
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.84
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.180
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99181
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_description       prism
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.102
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     538
_refine_ls_number_reflns         5946
_refine_ls_number_restraints     666
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0477P)²+2.6262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.0925
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5267
_reflns_number_total             5946
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc02162a2.cif
_cod_data_source_block           dp678-2-cpo2_auto
_cod_database_code               7131876
_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   0.591
_shelx_estimated_absorpt_t_max   0.765
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 0.31075(2) 0.46342(2) 0.45891(2) 0.02327(9) Uani 1 1 d . . . . .
O1M O 0.1273(4) 0.3605(4) 0.5183(3) 0.0542(10) Uani 1 1 d D U . . .
C1M C 0.0897(8) 0.2967(8) 0.5754(6) 0.078(2) Uani 0.784(5) 1 d D U P A 1
C2M C -0.0054(12) 0.2985(12) 0.6392(10) 0.108(3) Uani 0.784(5) 1 d D U P A 1
H2M H -0.055068 0.348686 0.638430 0.129 Uiso 0.784(5) 1 calc R U P A 1
C3M C -0.0087(12) 0.2114(11) 0.7016(10) 0.109(3) Uani 0.784(5) 1 d D U P A 1
H3M H -0.049716 0.202528 0.758256 0.131 Uiso 0.784(5) 1 calc R U P A 1
C4M C 0.0577(12) 0.1432(11) 0.6650(10) 0.111(3) Uani 0.784(5) 1 d D U P A 1
H4M1 H -0.000830 0.060064 0.627786 0.133 Uiso 0.784(5) 1 calc R U P A 1
H4M2 H 0.121294 0.139569 0.726228 0.133 Uiso 0.784(5) 1 calc R U P A 1
C5M C 0.1178(13) 0.1971(10) 0.5938(10) 0.110(3) Uani 0.784(5) 1 d D U P A 1
H5M1 H 0.210842 0.221740 0.622811 0.132 Uiso 0.784(5) 1 calc R U P A 1
H5M2 H 0.093013 0.136881 0.523978 0.132 Uiso 0.784(5) 1 calc R U P A 1
C1M' C 0.058(3) 0.2715(18) 0.4718(19) 0.082(4) Uani 0.216(5) 1 d D U P A 2
H1M' H 0.063971 0.246274 0.400129 0.099 Uiso 0.216(5) 1 calc R U P A 2
N1M' N -0.024(2) 0.2009(17) 0.500(2) 0.105(3) Uani 0.216(5) 1 d D U P A 2
C2M' C 0.023(4) 0.223(3) 0.614(2) 0.097(3) Uani 0.216(5) 1 d D U P A 2
H2MA H -0.048334 0.197350 0.646411 0.145 Uiso 0.216(5) 1 calc R U P A 2
H2MB H 0.071604 0.308776 0.645163 0.145 Uiso 0.216(5) 1 calc R U P A 2
H2MC H 0.078859 0.176634 0.629524 0.145 Uiso 0.216(5) 1 calc R U P A 2
C3M' C -0.145(3) 0.109(3) 0.446(3) 0.117(7) Uani 0.216(5) 1 d D U P A 2
H3MA H -0.206127 0.114922 0.488544 0.175 Uiso 0.216(5) 1 calc R U P A 2
H3MB H -0.136991 0.029565 0.439595 0.175 Uiso 0.216(5) 1 calc R U P A 2
H3MC H -0.175053 0.119478 0.374144 0.175 Uiso 0.216(5) 1 calc R U P A 2
O2M O 0.2521(5) 0.6153(4) 0.5623(4) 0.0652(12) Uani 1 1 d D U . . .
C6M C 0.2118(12) 0.6592(9) 0.6210(8) 0.077(2) Uani 0.784(5) 1 d D U P A 1
H6M H 0.123276 0.615482 0.606188 0.092 Uiso 0.784(5) 1 calc R U P A 1
N2M N 0.2429(10) 0.7444(9) 0.6978(8) 0.103(2) Uani 0.784(5) 1 d D U P A 1
C7M C 0.3783(12) 0.7740(14) 0.7383(11) 0.117(3) Uani 0.784(5) 1 d D U P A 1
H7MA H 0.414956 0.852951 0.790147 0.175 Uiso 0.784(5) 1 calc DR U P A 1
H7MB H 0.418263 0.776354 0.677967 0.175 Uiso 0.784(5) 1 calc R U P A 1
H7MC H 0.393520 0.712715 0.774052 0.175 Uiso 0.784(5) 1 calc R U P A 1
C8M C 0.1859(13) 0.8149(12) 0.7548(12) 0.125(3) Uani 0.784(5) 1 d D U P A 1
H8MA H 0.252333 0.884397 0.807587 0.187 Uiso 0.784(5) 1 calc DR U P A 1
H8MB H 0.131737 0.765926 0.792499 0.187 Uiso 0.784(5) 1 calc R U P A 1
H8MC H 0.134181 0.843017 0.703822 0.187 Uiso 0.784(5) 1 calc R U P A 1
C6M' C 0.287(4) 0.686(3) 0.658(3) 0.091(3) Uani 0.216(5) 1 d D U P A 2
C7M' C 0.391(4) 0.802(3) 0.721(3) 0.106(4) Uani 0.216(5) 1 d D U P A 2
H7M' H 0.465066 0.844798 0.701194 0.128 Uiso 0.216(5) 1 calc R U P A 2
C8M' C 0.354(3) 0.834(3) 0.816(3) 0.108(4) Uani 0.216(5) 1 d D U P A 2
H8M' H 0.400358 0.903773 0.872831 0.130 Uiso 0.216(5) 1 calc R U P A 2
C9M' C 0.240(3) 0.749(3) 0.815(3) 0.106(4) Uani 0.216(5) 1 d D U P A 2
H9M1 H 0.251688 0.713029 0.877886 0.127 Uiso 0.216(5) 1 calc R U P A 2
H9M2 H 0.175414 0.786947 0.820480 0.127 Uiso 0.216(5) 1 calc R U P A 2
C10' C 0.201(3) 0.661(3) 0.720(3) 0.103(4) Uani 0.216(5) 1 d D U P A 2
H10A H 0.116518 0.656164 0.678811 0.124 Uiso 0.216(5) 1 calc R U P A 2
H10B H 0.191691 0.581947 0.736304 0.124 Uiso 0.216(5) 1 calc R U P A 2
O11 O 0.2390(4) 0.5804(3) 0.3379(3) 0.0435(10) Uani 1 1 d . U . . .
C11 C 0.1556(5) 0.4851(4) 0.2747(4) 0.0349(11) Uani 1 1 d . U . . .
O12 O 0.1278(4) 0.3860(3) 0.3004(3) 0.0391(8) Uani 1 1 d . U . . .
C12 C 0.0934(5) 0.4912(4) 0.1665(4) 0.0357(11) Uani 1 1 d . U . . .
S11 S 0.1281(6) 0.6252(4) 0.1339(5) 0.0554(12) Uani 0.5 1 d . U P B 1
C15 C -0.008(2) 0.6045(15) -0.083(2) 0.040(4) Uani 0.5 1 d . U P B 1
H15 H 0.021576 0.686191 -0.086855 0.048 Uiso 0.5 1 calc R U P B 1
C13 C 0.103(2) 0.5866(15) 0.1322(19) 0.046(3) Uani 0.5 1 d . U P B 2
H13 H 0.149826 0.665751 0.176045 0.055 Uiso 0.5 1 calc R U P B 2
S12 S 0.0105(7) 0.6403(4) -0.0756(5) 0.0459(12) Uani 0.5 1 d . U P B 2
C14 C 0.0321(6) 0.5605(5) 0.0148(4) 0.0412(12) Uani 1 1 d . U . . .
O21 O 0.5021(3) 0.6280(3) 0.5059(2) 0.0299(7) Uani 1 1 d . U . . .
C21 C 0.5890(5) 0.7320(4) 0.5349(3) 0.0280(10) Uani 1 1 d . U . . .
O22 O 0.7025(3) 0.7474(3) 0.5714(3) 0.0321(7) Uani 1 1 d . U . . .
C22 C 0.5520(5) 0.8372(4) 0.5230(4) 0.0316(11) Uani 1 1 d . U . . .
C23 C 0.4357(5) 0.8375(4) 0.4748(4) 0.0357(11) Uani 1 1 d . U . . .
H23 H 0.361575 0.767388 0.444461 0.043 Uiso 1 1 calc R U . . .
C24 C 0.4405(5) 0.9563(4) 0.4760(4) 0.0342(11) Uani 1 1 d . U . . .
S22 S 0.33150(13) 1.02027(10) 0.43017(11) 0.0402(3) Uani 1 1 d . U . . .
O31 O 0.3988(3) 0.4435(3) 0.3069(2) 0.0333(8) Uani 1 1 d . U . . .
C31 C 0.5040(5) 0.4872(4) 0.2881(4) 0.0326(11) Uani 1 1 d . U . . .
O32 O 0.6118(3) 0.5285(3) 0.3539(2) 0.0381(8) Uani 1 1 d . U . . .
C32 C 0.5028(5) 0.4904(5) 0.1735(4) 0.0333(11) Uani 1 1 d . U . . .
C33 C 0.3974(8) 0.4620(8) 0.0870(6) 0.0331(16) Uani 0.916(6) 1 d D U P C 1
H33 H 0.311633 0.434829 0.091332 0.040 Uiso 0.916(6) 1 calc R U P C 1
S32 S 0.35450(16) 0.46110(18) -0.13822(11) 0.0402(5) Uani 0.916(6) 1 d D U P C 1
S31 S 0.359(2) 0.435(3) 0.0861(17) 0.033(3) Uani 0.084(6) 1 d D U P C 2
C35 C 0.400(4) 0.465(8) -0.1206(17) 0.041(5) Uani 0.084(6) 1 d D U P C 2
H35 H 0.313591 0.426380 -0.160610 0.049 Uiso 0.084(6) 1 calc R U P C 2
C34 C 0.4352(5) 0.4790(5) -0.0078(4) 0.0355(11) Uani 1 1 d D U . . .
O1G O 0.8204(13) 0.1365(9) 0.8917(14) 0.079(4) Uani 0.63(3) 1 d . U P D 1
O1G' O 0.791(2) 0.1238(18) 0.942(2) 0.084(4) Uani 0.37(3) 1 d . U P D 2
C1G C 0.8482(8) 0.0508(6) 0.9113(6) 0.0694(18) Uani 1 1 d . U . . .
C2G C 0.9818(8) 0.0669(7) 0.9586(6) 0.0733(19) Uani 1 1 d . U . . .
H2G H 1.046463 0.133983 0.941789 0.088 Uiso 1 1 calc R U . . .
C3G C 0.9900(9) -0.0595(7) 0.9226(6) 0.079(2) Uani 1 1 d . U . . .
H3G H 1.061453 -0.058861 0.888595 0.095 Uiso 1 1 calc R U . . .
C4G C 0.8588(9) -0.1381(8) 0.8485(8) 0.101(3) Uani 1 1 d . U . . .
H4GA H 0.861334 -0.147691 0.771964 0.121 Uiso 1 1 calc R U . . .
H4GB H 0.832142 -0.218908 0.863189 0.121 Uiso 1 1 calc R U . . .
C5G C 0.7704(8) -0.0795(7) 0.8695(7) 0.082(2) Uani 1 1 d . U . . .
H5GA H 0.727967 -0.110388 0.923710 0.099 Uiso 1 1 calc R U . . .
H5GB H 0.704728 -0.093453 0.802369 0.099 Uiso 1 1 calc R U . . .
O2G O 0.7477(8) 0.8878(7) 0.1477(6) 0.131(2) Uani 1 1 d . U . . .
C6G C 0.6336(11) 0.8490(10) 0.1478(9) 0.105(3) Uani 1 1 d . U . . .
C7G C 0.5866(10) 0.8383(9) 0.2485(8) 0.099(2) Uani 1 1 d . U . . .
H7GA H 0.617908 0.783491 0.285016 0.119 Uiso 1 1 calc R U . . .
H7GB H 0.614957 0.918062 0.299995 0.119 Uiso 1 1 calc R U . . .
C8G C 0.4489(9) 0.7891(9) 0.2084(7) 0.094(2) Uani 1 1 d . U . . .
H8GA H 0.411610 0.846739 0.239395 0.113 Uiso 1 1 calc R U . . .
H8GB H 0.414025 0.712770 0.229370 0.113 Uiso 1 1 calc R U . . .
C9G C 0.4179(10) 0.7675(8) 0.0905(8) 0.093(2) Uani 1 1 d . U . . .
H9G H 0.334208 0.733613 0.044193 0.112 Uiso 1 1 calc R U . . .
C0G C 0.5270(10) 0.8033(9) 0.0565(9) 0.107(3) Uani 1 1 d . U . . .
H0G H 0.530541 0.798359 -0.016461 0.129 Uiso 1 1 calc R U . . .
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'
Eu Eu -0.1578 3.6682 '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
O21 Eu1 O31 74.77(11) . . ?
O21 Eu1 O32 79.13(12) . 2_666 ?
O31 Eu1 O32 132.79(12) . 2_666 ?
O21 Eu1 O2M 79.70(15) . . ?
O31 Eu1 O2M 136.82(14) . . ?
O32 Eu1 O2M 73.39(14) 2_666 . ?
O21 Eu1 O1M 145.25(12) . . ?
O31 Eu1 O1M 139.96(13) . . ?
O32 Eu1 O1M 73.59(13) 2_666 . ?
O2M Eu1 O1M 72.23(16) . . ?
O21 Eu1 O12 132.53(11) . . ?
O31 Eu1 O12 74.88(12) . . ?
O32 Eu1 O12 146.59(13) 2_666 . ?
O2M Eu1 O12 99.08(15) . . ?
O1M Eu1 O12 73.14(13) . . ?
O21 Eu1 O22 123.89(11) . 2_666 ?
O31 Eu1 O22 78.65(11) . 2_666 ?
O32 Eu1 O22 84.43(12) 2_666 2_666 ?
O2M Eu1 O22 144.17(14) . 2_666 ?
O1M Eu1 O22 74.70(13) . 2_666 ?
O12 Eu1 O22 84.07(11) . 2_666 ?
O21 Eu1 O11 82.92(11) . . ?
O31 Eu1 O11 71.79(12) . . ?
O32 Eu1 O11 142.35(12) 2_666 . ?
O2M Eu1 O11 70.98(14) . . ?
O1M Eu1 O11 106.10(14) . . ?
O12 Eu1 O11 53.19(11) . . ?
O22 Eu1 O11 132.62(11) 2_666 . ?
O21 Eu1 O21 73.98(10) . 2_666 ?
O31 Eu1 O21 68.35(10) . 2_666 ?
O32 Eu1 O21 66.94(11) 2_666 2_666 ?
O2M Eu1 O21 135.53(13) . 2_666 ?
O1M Eu1 O21 113.06(13) . 2_666 ?
O12 Eu1 O21 125.13(11) . 2_666 ?
O22 Eu1 O21 50.33(10) 2_666 2_666 ?
O11 Eu1 O21 137.82(12) . 2_666 ?
O21 Eu1 C11 107.14(13) . . ?
O31 Eu1 C11 68.57(14) . . ?
O32 Eu1 C11 158.17(14) 2_666 . ?
O2M Eu1 C11 86.97(15) . . ?
O1M Eu1 C11 91.65(15) . . ?
O12 Eu1 C11 26.61(13) . . ?
O22 Eu1 C11 107.52(12) 2_666 . ?
O11 Eu1 C11 26.84(13) . . ?
O21 Eu1 C11 134.72(12) 2_666 . ?
O21 Eu1 C21 99.68(13) . 2_666 ?
O31 Eu1 C21 73.41(12) . 2_666 ?
O32 Eu1 C21 73.10(12) 2_666 2_666 ?
O2M Eu1 C21 145.96(14) . 2_666 ?
O1M Eu1 C21 92.65(15) . 2_666 ?
O12 Eu1 C21 105.52(12) . 2_666 ?
O22 Eu1 C21 24.66(12) 2_666 2_666 ?
O11 Eu1 C21 143.03(12) . 2_666 ?
O21 Eu1 C21 25.76(12) 2_666 2_666 ?
C11 Eu1 C21 124.65(13) . 2_666 ?
O21 Eu1 C1M' 162.1(4) . . ?
O31 Eu1 C1M' 122.8(4) . . ?
O32 Eu1 C1M' 85.3(5) 2_666 . ?
O2M Eu1 C1M' 87.5(6) . . ?
O1M Eu1 C1M' 17.3(4) . . ?
O12 Eu1 C1M' 61.6(5) . . ?
O22 Eu1 C1M' 62.5(6) 2_666 . ?
O11 Eu1 C1M' 104.7(6) . . ?
O21 Eu1 C1M' 108.0(7) 2_666 . ?
C11 Eu1 C1M' 84.3(6) . . ?
C21 Eu1 C1M' 84.0(7) 2_666 . ?
C1M' O1M Eu1 121.8(14) . . ?
C1M O1M Eu1 145.0(5) . . ?
O1M C1M C5M 128.8(10) . . ?
O1M C1M C2M 129.5(10) . . ?
C5M C1M C2M 101.6(10) . . ?
C3M C2M C1M 107.9(12) . . ?
C3M C2M H2M 126.0 . . ?
C1M C2M H2M 126.0 . . ?
C4M C3M C2M 107.7(11) . . ?
C4M C3M H3M 126.1 . . ?
C2M C3M H3M 126.1 . . ?
C3M C4M C5M 107.4(10) . . ?
C3M C4M H4M1 110.2 . . ?
C5M C4M H4M1 110.2 . . ?
C3M C4M H4M2 110.2 . . ?
C5M C4M H4M2 110.2 . . ?
H4M1 C4M H4M2 108.5 . . ?
C1M C5M C4M 114.1(11) . . ?
C1M C5M H5M1 108.7 . . ?
C4M C5M H5M1 108.7 . . ?
C1M C5M H5M2 108.7 . . ?
C4M C5M H5M2 108.7 . . ?
H5M1 C5M H5M2 107.6 . . ?
O1M C1M' N1M' 129(2) . . ?
O1M C1M' Eu1 40.9(10) . . ?
N1M' C1M' Eu1 165.7(17) . . ?
O1M C1M' H1M' 115.5 . . ?
N1M' C1M' H1M' 115.5 . . ?
Eu1 C1M' H1M' 75.7 . . ?
C1M' N1M' C3M' 135.8(18) . . ?
C1M' N1M' C2M' 105.3(15) . . ?
C3M' N1M' C2M' 118.9(17) . . ?
N1M' C2M' H2MA 109.5 . . ?
N1M' C2M' H2MB 109.5 . . ?
H2MA C2M' H2MB 109.5 . . ?
N1M' C2M' H2MC 109.5 . . ?
H2MA C2M' H2MC 109.5 . . ?
H2MB C2M' H2MC 109.5 . . ?
N1M' C3M' H3MA 109.5 . . ?
N1M' C3M' H3MB 109.5 . . ?
H3MA C3M' H3MB 109.5 . . ?
N1M' C3M' H3MC 109.5 . . ?
H3MA C3M' H3MC 109.5 . . ?
H3MB C3M' H3MC 109.5 . . ?
C6M O2M Eu1 160.8(7) . . ?
C6M' O2M Eu1 139.6(19) . . ?
O2M C6M N2M 141.1(13) . . ?
O2M C6M H6M 109.5 . . ?
N2M C6M H6M 109.5 . . ?
C6M N2M C8M 138.8(12) . . ?
C6M N2M C7M 104.1(10) . . ?
C8M N2M C7M 117.1(10) . . ?
N2M C7M H7MA 109.5 . . ?
N2M C7M H7MB 109.5 . . ?
H7MA C7M H7MB 109.5 . . ?
N2M C7M H7MC 109.5 . . ?
H7MA C7M H7MC 109.5 . . ?
H7MB C7M H7MC 109.5 . . ?
N2M C8M H8MA 109.5 . . ?
N2M C8M H8MB 109.5 . . ?
H8MA C8M H8MB 109.5 . . ?
N2M C8M H8MC 109.5 . . ?
H8MA C8M H8MC 109.5 . . ?
H8MB C8M H8MC 109.5 . . ?
O2M C6M' C10' 116(3) . . ?
O2M C6M' C7M' 137(3) . . ?
C10' C6M' C7M' 106(3) . . ?
C8M' C7M' C6M' 104(2) . . ?
C8M' C7M' H7M' 128.1 . . ?
C6M' C7M' H7M' 128.1 . . ?
C9M' C8M' C7M' 111.2(18) . . ?
C9M' C8M' H8M' 124.4 . . ?
C7M' C8M' H8M' 124.4 . . ?
C10' C9M' C8M' 107.7(16) . . ?
C10' C9M' H9M1 110.2 . . ?
C8M' C9M' H9M1 110.2 . . ?
C10' C9M' H9M2 110.2 . . ?
C8M' C9M' H9M2 110.2 . . ?
H9M1 C9M' H9M2 108.5 . . ?
C9M' C10' C6M' 111(2) . . ?
C9M' C10' H10A 109.4 . . ?
C6M' C10' H10A 109.4 . . ?
C9M' C10' H10B 109.4 . . ?
C6M' C10' H10B 109.4 . . ?
H10A C10' H10B 108.0 . . ?
C11 O11 Eu1 91.1(3) . . ?
O12 C11 O11 121.9(4) . . ?
O12 C11 C12 119.8(4) . . ?
O11 C11 C12 118.3(4) . . ?
O12 C11 Eu1 60.8(2) . . ?
O11 C11 Eu1 62.1(2) . . ?
C12 C11 Eu1 168.1(4) . . ?
C11 O12 Eu1 92.6(3) . . ?
C13 C12 C11 127.0(10) . . ?
C15 C12 C11 127.0(10) 2_565 . ?
C15 C12 S11 113.5(10) 2_565 . ?
C11 C12 S11 119.5(4) . . ?
C15 C12 S12 8.3(11) 2_565 2_565 ?
C11 C12 S12 118.8(4) . 2_565 ?
S11 C12 S12 121.7(4) . 2_565 ?
C14 S11 C12 90.2(3) . . ?
C12 C15 C14 110.5(12) 2_565 . ?
C12 C15 H15 124.8 2_565 . ?
C14 C15 H15 124.8 . . ?
C12 C13 C14 113.4(13) . . ?
C12 C13 H13 123.3 . . ?
C14 C13 H13 123.3 . . ?
C14 S12 C12 89.0(3) . 2_565 ?
C14 C14 C15 105.0(9) 2_565 . ?
C14 C14 C13 104.8(8) 2_565 . ?
C14 C14 S11 120.8(6) 2_565 . ?
C15 C14 S11 134.2(8) . . ?
C14 C14 S12 118.2(6) 2_565 . ?
C13 C14 S12 136.9(7) . . ?
C21 O21 Eu1 166.2(3) . . ?
C21 O21 Eu1 87.3(3) . 2_666 ?
Eu1 O21 Eu1 106.02(10) . 2_666 ?
O22 C21 O21 122.3(4) . . ?
O22 C21 C22 119.4(4) . . ?
O21 C21 C22 118.3(4) . . ?
O22 C21 Eu1 55.7(2) . 2_666 ?
O21 C21 Eu1 67.0(2) . 2_666 ?
C22 C21 Eu1 171.7(4) . 2_666 ?
C21 O22 Eu1 99.7(3) . 2_666 ?
C23 C22 C21 128.0(4) . . ?
C23 C22 S22 113.6(3) . 2_676 ?
C21 C22 S22 118.4(4) . 2_676 ?
C22 C23 C24 110.7(4) . . ?
C22 C23 H23 124.7 . . ?
C24 C23 H23 124.7 . . ?
C24 C24 C23 114.1(5) 2_676 . ?
C24 C24 S22 110.9(4) 2_676 . ?
C23 C24 S22 134.9(4) . . ?
C24 S22 C22 90.6(2) . 2_676 ?
C31 O31 Eu1 136.6(3) . . ?
O31 C31 O32 127.8(4) . . ?
O31 C31 C32 116.5(4) . . ?
O32 C31 C32 115.7(5) . . ?
C31 O32 Eu1 134.6(3) . 2_666 ?
C33 C32 C35 98.4(13) . 2_665 ?
C33 C32 C31 127.6(6) . . ?
C35 C32 C31 133.6(12) 2_665 . ?
C35 C32 S31 110.9(12) 2_665 . ?
C31 C32 S31 115.5(6) . . ?
C33 C32 S32 112.8(4) . 2_665 ?
C31 C32 S32 119.6(4) . 2_665 ?
C32 C33 C34 110.8(7) . . ?
C32 C33 H33 124.6 . . ?
C34 C33 H33 124.6 . . ?
C34 S32 C32 90.3(2) . 2_665 ?
C32 S31 C34 86.3(10) . . ?
C34 C35 C32 119(3) . 2_665 ?
C34 C35 H35 120.7 . . ?
C32 C35 H35 120.7 2_665 . ?
C34 C34 C33 113.3(6) 2_665 . ?
C34 C34 C35 98(2) 2_665 . ?
C34 C34 S31 125.0(10) 2_665 . ?
C35 C34 S31 135.6(16) . . ?
C34 C34 S32 112.9(5) 2_665 . ?
C33 C34 S32 133.9(5) . . ?
O1G C1G C2G 120.1(9) . . ?
O1G' C1G C2G 125.2(11) . . ?
O1G C1G C5G 127.9(8) . . ?
O1G' C1G C5G 117.7(13) . . ?
C2G C1G C5G 110.2(6) . . ?
C1G C2G C3G 113.9(7) . 2_757 ?
C1G C2G C3G 104.7(6) . . ?
C3G C2G C3G 90.1(6) 2_757 . ?
C1G C2G H2G 115.1 . . ?
C3G C2G H2G 115.1 2_757 . ?
C3G C2G H2G 115.1 . . ?
C4G C3G C2G 117.8(8) . 2_757 ?
C4G C3G C2G 105.2(6) . . ?
C2G C3G C2G 89.9(6) 2_757 . ?
C4G C3G H3G 113.7 . . ?
C2G C3G H3G 113.7 2_757 . ?
C2G C3G H3G 113.7 . . ?
C5G C4G C3G 107.9(6) . . ?
C5G C4G H4GA 110.1 . . ?
C3G C4G H4GA 110.1 . . ?
C5G C4G H4GB 110.1 . . ?
C3G C4G H4GB 110.1 . . ?
H4GA C4G H4GB 108.4 . . ?
C4G C5G C1G 105.5(7) . . ?
C4G C5G H5GA 110.7 . . ?
C1G C5G H5GA 110.7 . . ?
C4G C5G H5GB 110.7 . . ?
C1G C5G H5GB 110.7 . . ?
H5GA C5G H5GB 108.8 . . ?
O2G C6G C0G 127.0(10) . . ?
O2G C6G C7G 124.3(11) . . ?
C0G C6G C7G 108.6(10) . . ?
C8G C7G C6G 104.1(9) . . ?
C8G C7G H7GA 110.9 . . ?
C6G C7G H7GA 110.9 . . ?
C8G C7G H7GB 110.9 . . ?
C6G C7G H7GB 110.9 . . ?
H7GA C7G H7GB 108.9 . . ?
C7G C8G C9G 107.8(8) . . ?
C7G C8G H8GA 110.1 . . ?
C9G C8G H8GA 110.1 . . ?
C7G C8G H8GB 110.1 . . ?
C9G C8G H8GB 110.1 . . ?
H8GA C8G H8GB 108.5 . . ?
C0G C9G C8G 110.3(10) . . ?
C0G C9G H9G 124.8 . . ?
C8G C9G H9G 124.8 . . ?
C9G C0G C6G 109.1(10) . . ?
C9G C0G H0G 125.5 . . ?
C6G C0G H0G 125.5 . . ?
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 O21 2.343(3) . yes
Eu1 O31 2.393(3) . yes
Eu1 O32 2.403(3) 2_666 yes
Eu1 O2M 2.422(4) . yes
Eu1 O1M 2.424(4) . yes
Eu1 O12 2.450(3) . yes
Eu1 O22 2.454(3) 2_666 yes
Eu1 O11 2.478(3) . yes
Eu1 O21 2.700(3) 2_666 yes
Eu1 C11 2.804(5) . no
Eu1 C21 2.930(4) 2_666 no
Eu1 C1M' 3.146(19) . no
O1M C1M' 1.099(13) . yes
O1M C1M 1.200(10) . yes
C1M C5M 1.382(10) . yes
C1M C2M 1.492(16) . yes
C2M C3M 1.429(17) . yes
C2M H2M 0.9500 . ?
C3M C4M 1.368(11) . yes
C3M H3M 0.9500 . ?
C4M C5M 1.387(10) . yes
C4M H4M1 0.9900 . ?
C4M H4M2 0.9900 . ?
C5M H5M1 0.9900 . ?
C5M H5M2 0.9900 . ?
C1M' N1M' 1.214(15) . yes
C1M' H1M' 0.9500 . ?
N1M' C3M' 1.434(12) . yes
N1M' C2M' 1.435(12) . yes
C2M' H2MA 0.9800 . ?
C2M' H2MB 0.9800 . ?
C2M' H2MC 0.9800 . ?
C3M' H3MA 0.9800 . ?
C3M' H3MB 0.9800 . ?
C3M' H3MC 0.9800 . ?
O2M C6M 1.105(9) . yes
O2M C6M' 1.29(3) . yes
C6M N2M 1.211(12) . yes
C6M H6M 0.9500 . ?
N2M C8M 1.417(10) . yes
N2M C7M 1.447(11) . yes
C7M H7MA 0.9800 . ?
C7M H7MB 0.9800 . ?
C7M H7MC 0.9800 . ?
C8M H8MA 0.9800 . ?
C8M H8MB 0.9800 . ?
C8M H8MC 0.9800 . ?
C6M' C10' 1.381(12) . yes
C6M' C7M' 1.502(19) . yes
C7M' C8M' 1.41(2) . yes
C7M' H7M' 0.9500 . ?
C8M' C9M' 1.380(12) . yes
C8M' H8M' 0.9500 . ?
C9M' C10' 1.380(12) . yes
C9M' H9M1 0.9900 . ?
C9M' H9M2 0.9900 . ?
C10' H10A 0.9900 . ?
C10' H10B 0.9900 . ?
O11 C11 1.266(6) . yes
C11 O12 1.258(6) . yes
C11 C12 1.478(6) . yes
C12 C13 1.285(19) . yes
C12 C15 1.39(2) 2_565 yes
C12 S11 1.687(6) . yes
C12 S12 1.725(6) 2_565 yes
S11 C14 1.620(7) . yes
C15 C14 1.51(3) . yes
C15 H15 0.9500 . ?
C13 C14 1.52(2) . yes
C13 H13 0.9500 . ?
S12 C14 1.672(8) . yes
C14 C14 1.359(10) 2_565 yes
O21 C21 1.275(6) . yes
C21 O22 1.240(6) . yes
C21 C22 1.479(6) . yes
C22 C23 1.363(7) . yes
C22 S22 1.735(5) 2_676 yes
C23 C24 1.414(6) . yes
C23 H23 0.9500 . ?
C24 C24 1.385(10) 2_676 yes
C24 S22 1.727(5) . yes
O31 C31 1.245(6) . yes
C31 O32 1.256(6) . yes
C31 C32 1.496(6) . yes
C32 C33 1.392(9) . yes
C32 C35 1.43(4) 2_665 yes
C32 S31 1.68(3) . yes
C32 S32 1.734(5) 2_665 yes
C33 C34 1.409(10) . yes
C33 H33 0.9500 . ?
S32 C34 1.714(5) . yes
S31 C34 1.695(10) . yes
C35 C34 1.412(14) . yes
C35 H35 0.9500 . ?
C34 C34 1.373(10) 2_665 yes
O1G C1G 1.224(12) . yes
O1G' C1G 1.30(2) . yes
C1G C2G 1.476(11) . yes
C1G C5G 1.486(10) . yes
C2G C3G 1.542(10) 2_757 yes
C2G C3G 1.551(10) . yes
C2G H2G 1.0000 . ?
C3G C4G 1.529(11) . yes
C3G H3G 1.0000 . ?
C4G C5G 1.441(12) . yes
C4G H4GA 0.9900 . ?
C4G H4GB 0.9900 . ?
C5G H5GA 0.9900 . ?
C5G H5GB 0.9900 . ?
O2G C6G 1.244(12) . yes
C6G C0G 1.420(14) . yes
C6G C7G 1.518(13) . yes
C7G C8G 1.453(13) . yes
C7G H7GA 0.9900 . ?
C7G H7GB 0.9900 . ?
C8G C9G 1.465(12) . yes
C8G H8GA 0.9900 . ?
C8G H8GB 0.9900 . ?
C9G C0G 1.372(13) . yes
C9G H9G 0.9500 . ?
C0G H0G 0.9500 . ?
