#------------------------------------------------------------------------------
#$Date: 2023-07-12 01:03:05 +0300 (Wed, 12 Jul 2023) $
#$Revision: 285158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/18/7131875.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_7131875
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                101.757(4)
_cell_angle_beta                 100.547(4)
_cell_angle_gamma                104.878(3)
_cell_formula_units_Z            1
_cell_length_a                   11.2956(4)
_cell_length_b                   12.0825(5)
_cell_length_c                   13.0422(6)
_cell_measurement_reflns_used    8188
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.57
_cell_measurement_theta_min      2.71
_cell_volume                     1631.29(13)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0221
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12669
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.93
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.170
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98909
_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    1.650
_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         0.967
_refine_diff_density_min         -0.916
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     539
_refine_ls_number_reflns         5978
_refine_ls_number_restraints     665
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0435P)²+2.3336P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0824
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5412
_reflns_number_total             5978
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc02162a2.cif
_cod_data_source_block           dp678-2-cpo_auto
_cod_original_cell_volume        1631.28(12)
_cod_database_code               7131875
_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   0.592
_shelx_estimated_absorpt_t_max   0.766
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 0.31211(2) 0.47082(2) 0.45986(2) 0.02157(8) Uani 1 1 d . . . . .
O1M O 0.1272(3) 0.3732(3) 0.5159(3) 0.0453(8) Uani 1 1 d D U . . .
C1M C 0.0932(7) 0.3043(6) 0.5673(5) 0.0664(18) Uani 0.739(4) 1 d D U P A 1
C2M C -0.0136(11) 0.2892(11) 0.6177(9) 0.102(3) Uani 0.739(4) 1 d D U P A 1
H2M H -0.072975 0.332238 0.611638 0.122 Uiso 0.739(4) 1 calc R U P A 1
C3M C -0.0170(11) 0.2062(10) 0.6740(9) 0.106(3) Uani 0.739(4) 1 d D U P A 1
H3M H -0.072566 0.189487 0.719221 0.127 Uiso 0.739(4) 1 calc R U P A 1
C4M C 0.0731(11) 0.1487(10) 0.6559(10) 0.104(3) Uani 0.739(4) 1 d D U P A 1
H4M1 H 0.032026 0.064140 0.616130 0.125 Uiso 0.739(4) 1 calc R U P A 1
H4M2 H 0.130600 0.153596 0.724896 0.125 Uiso 0.739(4) 1 calc R U P A 1
C5M C 0.1399(12) 0.2123(9) 0.5924(10) 0.108(3) Uani 0.739(4) 1 d D U P A 1
H5M1 H 0.230081 0.247100 0.631932 0.129 Uiso 0.739(4) 1 calc R U P A 1
H5M2 H 0.135204 0.155757 0.524027 0.129 Uiso 0.739(4) 1 calc R U P A 1
C1M' C 0.058(2) 0.2825(14) 0.4618(15) 0.082(4) Uani 0.261(4) 1 d D U P A 2
H1M' H 0.059322 0.266523 0.387552 0.098 Uiso 0.261(4) 1 calc R U P A 2
N1M' N -0.0172(16) 0.2022(14) 0.4872(16) 0.104(3) Uani 0.261(4) 1 d D U P A 2
C2M' C 0.035(3) 0.228(2) 0.6015(17) 0.091(3) Uani 0.261(4) 1 d D U P A 2
H2MA H -0.032995 0.204428 0.637031 0.137 Uiso 0.261(4) 1 calc R U P A 2
H2MB H 0.078152 0.313736 0.630512 0.137 Uiso 0.261(4) 1 calc R U P A 2
H2MC H 0.095856 0.184624 0.615077 0.137 Uiso 0.261(4) 1 calc R U P A 2
C3M' C -0.128(2) 0.106(2) 0.427(2) 0.122(6) Uani 0.261(4) 1 d D U P A 2
H3MA H -0.190919 0.097273 0.469957 0.183 Uiso 0.261(4) 1 calc R U P A 2
H3MB H -0.105200 0.032085 0.411266 0.183 Uiso 0.261(4) 1 calc R U P A 2
H3MC H -0.163109 0.121727 0.359296 0.183 Uiso 0.261(4) 1 calc R U P A 2
O2M O 0.2519(4) 0.6258(3) 0.5648(3) 0.0568(10) Uani 1 1 d D U . . .
C6M C 0.2055(10) 0.6602(8) 0.6313(7) 0.0669(19) Uani 0.739(4) 1 d D U P A 1
H6M H 0.121013 0.612569 0.621746 0.080 Uiso 0.739(4) 1 calc R U P A 1
N2M N 0.2424(8) 0.7465(8) 0.7130(7) 0.094(2) Uani 0.739(4) 1 d D U P A 1
C7M C 0.3793(10) 0.7732(11) 0.7410(10) 0.095(3) Uani 0.739(4) 1 d D U P A 1
H7MA H 0.403442 0.726749 0.790063 0.143 Uiso 0.739(4) 1 calc R U P A 1
H7MB H 0.418559 0.858049 0.776677 0.143 Uiso 0.739(4) 1 calc R U P A 1
H7MC H 0.407949 0.752862 0.675141 0.143 Uiso 0.739(4) 1 calc R U P A 1
C8M C 0.1805(12) 0.8038(12) 0.7849(10) 0.120(3) Uani 0.739(4) 1 d D U P A 1
H8MA H 0.135127 0.746366 0.818557 0.179 Uiso 0.739(4) 1 calc R U P A 1
H8MB H 0.120431 0.834514 0.744004 0.179 Uiso 0.739(4) 1 calc R U P A 1
H8MC H 0.243836 0.869601 0.841229 0.179 Uiso 0.739(4) 1 calc R U P A 1
C6M' C 0.278(2) 0.698(2) 0.664(2) 0.081(3) Uani 0.261(4) 1 d D U P A 2
C7M' C 0.370(3) 0.813(2) 0.729(2) 0.093(4) Uani 0.261(4) 1 d D U P A 2
H7M' H 0.437851 0.863131 0.709517 0.112 Uiso 0.261(4) 1 calc R U P A 2
C8M' C 0.335(2) 0.830(2) 0.821(2) 0.099(3) Uani 0.261(4) 1 d D U P A 2
H8M' H 0.377960 0.898228 0.880397 0.119 Uiso 0.261(4) 1 calc R U P A 2
C9M' C 0.229(2) 0.740(2) 0.8258(19) 0.098(4) Uani 0.261(4) 1 d D U P A 2
H9M1 H 0.251718 0.703635 0.885369 0.118 Uiso 0.261(4) 1 calc R U P A 2
H9M2 H 0.158814 0.771915 0.837093 0.118 Uiso 0.261(4) 1 calc R U P A 2
C10' C 0.194(2) 0.655(2) 0.7248(19) 0.099(3) Uani 0.261(4) 1 d D U P A 2
H10A H 0.106172 0.644824 0.686969 0.119 Uiso 0.261(4) 1 calc R U P A 2
H10B H 0.200056 0.577509 0.734775 0.119 Uiso 0.261(4) 1 calc R U P A 2
O11 O 0.2348(3) 0.5850(3) 0.3392(2) 0.0416(8) Uani 1 1 d . U . . .
C11 C 0.1581(4) 0.4909(4) 0.2750(3) 0.0337(10) Uani 1 1 d . U . . .
O12 O 0.1352(3) 0.3936(3) 0.2997(2) 0.0356(7) Uani 1 1 d . U . . .
C12 C 0.0949(4) 0.4948(4) 0.1669(4) 0.0342(10) Uani 1 1 d . U . . .
S11 S 0.1072(7) 0.6293(4) 0.1393(5) 0.0522(13) Uani 0.468(6) 1 d . U P B 1
C15 C -0.025(2) 0.5986(15) -0.0827(19) 0.044(4) Uani 0.468(6) 1 d . U P B 1
H15 H -0.008996 0.679096 -0.085114 0.053 Uiso 0.468(6) 1 calc R U P B 1
C13 C 0.103(2) 0.5907(13) 0.1287(17) 0.044(3) Uani 0.532(6) 1 d . U P B 2
H13 H 0.152310 0.668934 0.168962 0.053 Uiso 0.532(6) 1 calc R U P B 2
S12 S -0.0037(5) 0.6368(3) -0.0733(4) 0.0468(10) Uani 0.532(6) 1 d . U P B 2
C14 C 0.0241(5) 0.5605(4) 0.0160(4) 0.0401(11) Uani 1 1 d . U . . .
O21 O 0.4998(3) 0.6284(2) 0.5073(2) 0.0258(6) Uani 1 1 d . U . . .
C21 C 0.5853(4) 0.7285(3) 0.5374(3) 0.0245(8) Uani 1 1 d . U . . .
O22 O 0.6984(3) 0.7390(2) 0.5748(2) 0.0295(6) Uani 1 1 d . U . . .
C22 C 0.5494(4) 0.8349(3) 0.5251(3) 0.0266(8) Uani 1 1 d . U . . .
C23 C 0.4340(4) 0.8409(3) 0.4757(3) 0.0285(9) Uani 1 1 d . U . . .
H23 H 0.359714 0.774811 0.445787 0.034 Uiso 1 1 calc R U . . .
C24 C 0.4413(4) 0.9592(3) 0.4757(3) 0.0288(9) Uani 1 1 d . U . . .
S22 S 0.33411(10) 1.02780(8) 0.42805(9) 0.0331(3) Uani 1 1 d . U . . .
O31 O 0.4037(3) 0.4470(2) 0.3075(2) 0.0292(6) Uani 1 1 d . U . . .
C31 C 0.5075(4) 0.4863(3) 0.2877(3) 0.0271(9) Uani 1 1 d . U . . .
O32 O 0.6149(3) 0.5240(3) 0.3533(2) 0.0325(7) Uani 1 1 d . U . . .
C32 C 0.5051(4) 0.4903(4) 0.1730(3) 0.0291(9) Uani 1 1 d . U . . .
C33 C 0.4005(7) 0.4635(7) 0.0882(6) 0.0290(14) Uani 0.910(5) 1 d D U P C 1
H33 H 0.315611 0.436966 0.093533 0.035 Uiso 0.910(5) 1 calc R U P C 1
S32 S 0.35381(12) 0.46478(15) -0.13635(10) 0.0337(4) Uani 0.910(5) 1 d D U P C 1
S31 S 0.3595(19) 0.447(2) 0.0876(14) 0.030(3) Uani 0.090(5) 1 d D U P C 2
C35 C 0.401(4) 0.476(6) -0.1184(19) 0.036(5) Uani 0.090(5) 1 d D U P C 2
H35 H 0.314004 0.450156 -0.156105 0.044 Uiso 0.090(5) 1 calc R U P C 2
C34 C 0.4350(4) 0.4804(4) -0.0075(3) 0.0309(9) Uani 1 1 d D U . . .
O1G O 0.1239(17) 0.8465(13) 0.0578(12) 0.099(4) Uani 0.468(6) 1 d . U P B 1
O1G' O 0.1510(13) 0.8517(9) 0.1146(9) 0.083(3) Uani 0.532(6) 1 d . U P B 2
C1G C 0.1512(7) 0.9528(5) 0.1098(6) 0.0744(17) Uani 1 1 d . U . . .
C2G C 0.0635(7) 1.0107(6) 0.1493(6) 0.0765(17) Uani 1 1 d . U . . .
H2G H -0.015810 0.972286 0.160519 0.092 Uiso 1 1 calc R U . . .
C3G C 0.1145(8) 1.1259(6) 0.1665(6) 0.086(2) Uani 1 1 d . U . . .
H3G H 0.075771 1.182012 0.195632 0.104 Uiso 1 1 calc R U . . .
C4G C 0.2346(8) 1.1611(6) 0.1374(6) 0.086(2) Uani 1 1 d . U . . .
H4GA H 0.301923 1.216348 0.199953 0.104 Uiso 1 1 calc R U . . .
H4GB H 0.227196 1.199100 0.077083 0.104 Uiso 1 1 calc R U . . .
C5G C 0.2609(8) 1.0441(6) 0.1035(7) 0.087(2) Uani 1 1 d . U . . .
H5GA H 0.271869 1.030426 0.028838 0.105 Uiso 1 1 calc R U . . .
H5GB H 0.338709 1.043623 0.152616 0.105 Uiso 1 1 calc R U . . .
O2G O 0.7379(7) 0.8928(7) 0.1562(6) 0.152(3) Uani 1 1 d . U . . .
C6G C 0.6249(10) 0.8502(8) 0.1539(8) 0.108(2) Uani 1 1 d . U . . .
C7G C 0.5188(9) 0.8039(8) 0.0584(8) 0.107(2) Uani 1 1 d . U . . .
H7G H 0.523903 0.800258 -0.014018 0.128 Uiso 1 1 calc R U . . .
C8G C 0.4102(8) 0.7663(7) 0.0915(6) 0.0844(19) Uani 1 1 d . U . . .
H8G H 0.327465 0.734199 0.044931 0.101 Uiso 1 1 calc R U . . .
C9G C 0.4399(8) 0.7829(7) 0.2086(6) 0.0840(19) Uani 1 1 d . U . . .
H9GA H 0.395999 0.835998 0.242315 0.101 Uiso 1 1 calc R U . . .
H9GB H 0.411596 0.705530 0.225489 0.101 Uiso 1 1 calc R U . . .
C0G C 0.5749(8) 0.8345(8) 0.2498(7) 0.097(2) Uani 1 1 d . U . . .
H0GA H 0.611446 0.781202 0.284744 0.116 Uiso 1 1 calc R U . . .
H0GB H 0.595591 0.911936 0.303481 0.116 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 74.23(9) . . ?
O21 Eu1 O2M 79.10(12) . . ?
O31 Eu1 O2M 136.24(11) . . ?
O21 Eu1 O32 80.35(9) . 2_666 ?
O31 Eu1 O32 133.16(10) . 2_666 ?
O2M Eu1 O32 73.40(12) . 2_666 ?
O21 Eu1 O1M 146.32(11) . . ?
O31 Eu1 O1M 139.45(10) . . ?
O2M Eu1 O1M 73.42(13) . . ?
O32 Eu1 O1M 73.49(10) 2_666 . ?
O21 Eu1 O12 132.53(9) . . ?
O31 Eu1 O12 73.95(10) . . ?
O2M Eu1 O12 101.31(13) . . ?
O32 Eu1 O12 146.02(10) 2_666 . ?
O1M Eu1 O12 72.88(11) . . ?
O21 Eu1 O22 124.40(9) . 2_666 ?
O31 Eu1 O22 78.65(9) . 2_666 ?
O2M Eu1 O22 144.78(12) . 2_666 ?
O32 Eu1 O22 84.49(10) 2_666 2_666 ?
O1M Eu1 O22 74.20(11) . 2_666 ?
O12 Eu1 O22 81.90(10) . 2_666 ?
O21 Eu1 O11 83.83(10) . . ?
O31 Eu1 O11 71.99(11) . . ?
O2M Eu1 O11 71.18(12) . . ?
O32 Eu1 O11 143.29(10) 2_666 . ?
O1M Eu1 O11 104.83(12) . . ?
O12 Eu1 O11 53.17(9) . . ?
O22 Eu1 O11 131.21(10) 2_666 . ?
O21 Eu1 O21 74.63(9) . 2_666 ?
O31 Eu1 O21 68.35(9) . 2_666 ?
O2M Eu1 O21 135.48(12) . 2_666 ?
O32 Eu1 O21 67.27(9) 2_666 2_666 ?
O1M Eu1 O21 112.75(10) . 2_666 ?
O12 Eu1 O21 122.94(9) . 2_666 ?
O22 Eu1 O21 50.28(9) 2_666 2_666 ?
O11 Eu1 O21 138.61(10) . 2_666 ?
O21 Eu1 C11 107.47(11) . . ?
O31 Eu1 C11 68.08(12) . . ?
O2M Eu1 C11 88.25(13) . . ?
O32 Eu1 C11 158.57(12) 2_666 . ?
O1M Eu1 C11 90.97(12) . . ?
O12 Eu1 C11 26.69(11) . . ?
O22 Eu1 C11 105.78(11) 2_666 . ?
O11 Eu1 C11 26.75(11) . . ?
O21 Eu1 C11 133.68(11) 2_666 . ?
O21 Eu1 C21 100.23(10) . 2_666 ?
O31 Eu1 C21 73.60(10) . 2_666 ?
O2M Eu1 C21 146.08(12) . 2_666 ?
O32 Eu1 C21 73.08(10) 2_666 2_666 ?
O1M Eu1 C21 92.16(11) . 2_666 ?
O12 Eu1 C21 103.45(11) . 2_666 ?
O22 Eu1 C21 24.74(10) 2_666 2_666 ?
O11 Eu1 C21 142.74(11) . 2_666 ?
O21 Eu1 C21 25.66(10) 2_666 2_666 ?
C11 Eu1 C21 123.26(12) . 2_666 ?
O21 Eu1 C1M' 164.5(3) . . ?
O31 Eu1 C1M' 121.0(4) . . ?
O2M Eu1 C1M' 89.7(4) . . ?
O32 Eu1 C1M' 86.3(4) 2_666 . ?
O1M Eu1 C1M' 18.5(4) . . ?
O12 Eu1 C1M' 59.8(4) . . ?
O22 Eu1 C1M' 61.4(5) 2_666 . ?
O11 Eu1 C1M' 102.7(5) . . ?
O21 Eu1 C1M' 107.4(5) 2_666 . ?
C11 Eu1 C1M' 82.5(4) . . ?
C21 Eu1 C1M' 83.2(5) 2_666 . ?
C1M' O1M Eu1 119.7(11) . . ?
C1M O1M Eu1 141.8(5) . . ?
O1M C1M C5M 130.7(8) . . ?
O1M C1M C2M 129.0(9) . . ?
C5M C1M C2M 100.2(8) . . ?
C3M C2M C1M 111.5(11) . . ?
C3M C2M H2M 124.3 . . ?
C1M C2M H2M 124.3 . . ?
C2M C3M C4M 110.3(10) . . ?
C2M C3M H3M 124.9 . . ?
C4M C3M H3M 124.9 . . ?
C3M C4M C5M 103.6(8) . . ?
C3M C4M H4M1 111.0 . . ?
C5M C4M H4M1 111.0 . . ?
C3M C4M H4M2 111.0 . . ?
C5M C4M H4M2 111.0 . . ?
H4M1 C4M H4M2 109.0 . . ?
C1M C5M C4M 114.0(9) . . ?
C1M C5M H5M1 108.8 . . ?
C4M C5M H5M1 108.8 . . ?
C1M C5M H5M2 108.8 . . ?
C4M C5M H5M2 108.8 . . ?
H5M1 C5M H5M2 107.7 . . ?
O1M C1M' N1M' 129.4(17) . . ?
O1M C1M' Eu1 41.8(8) . . ?
N1M' C1M' Eu1 161.0(15) . . ?
O1M C1M' H1M' 115.3 . . ?
N1M' C1M' H1M' 115.3 . . ?
Eu1 C1M' H1M' 76.5 . . ?
C1M' N1M' C3M' 133.7(16) . . ?
C1M' N1M' C2M' 101.8(13) . . ?
C3M' N1M' C2M' 124.4(16) . . ?
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 151.4(5) . . ?
C6M' O2M Eu1 142.6(13) . . ?
O2M C6M N2M 133.8(10) . . ?
O2M C6M H6M 113.1 . . ?
N2M C6M H6M 113.1 . . ?
C6M N2M C8M 134.5(10) . . ?
C6M N2M C7M 104.1(9) . . ?
C8M N2M C7M 120.5(9) . . ?
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' 113(2) . . ?
O2M C6M' C7M' 138(2) . . ?
C10' C6M' C7M' 109(2) . . ?
C8M' C7M' C6M' 103(2) . . ?
C8M' C7M' H7M' 128.6 . . ?
C6M' C7M' H7M' 128.6 . . ?
C7M' C8M' C9M' 115.4(16) . . ?
C7M' C8M' H8M' 122.3 . . ?
C9M' C8M' H8M' 122.3 . . ?
C10' C9M' C8M' 105.1(14) . . ?
C10' C9M' H9M1 110.7 . . ?
C8M' C9M' H9M1 110.7 . . ?
C10' C9M' H9M2 110.7 . . ?
C8M' C9M' H9M2 110.7 . . ?
H9M1 C9M' H9M2 108.8 . . ?
C9M' C10' C6M' 107.4(19) . . ?
C9M' C10' H10A 110.2 . . ?
C6M' C10' H10A 110.2 . . ?
C9M' C10' H10B 110.2 . . ?
C6M' C10' H10B 110.2 . . ?
H10A C10' H10B 108.5 . . ?
C11 O11 Eu1 90.9(2) . . ?
O12 C11 O11 121.9(4) . . ?
O12 C11 C12 119.2(4) . . ?
O11 C11 C12 118.9(4) . . ?
O12 C11 Eu1 60.6(2) . . ?
O11 C11 Eu1 62.4(2) . . ?
C12 C11 Eu1 168.9(3) . . ?
C11 O12 Eu1 92.7(2) . . ?
C13 C12 C11 127.4(9) . . ?
C15 C12 C11 127.0(9) 2_565 . ?
C15 C12 S11 113.5(9) 2_565 . ?
C11 C12 S11 119.4(4) . . ?
C15 C12 S12 8.6(10) 2_565 2_565 ?
C11 C12 S12 118.9(3) . 2_565 ?
S11 C12 S12 121.6(3) . 2_565 ?
C14 S11 C12 89.3(3) . . ?
C12 C15 C14 112.2(11) 2_565 . ?
C12 C15 H15 123.9 2_565 . ?
C14 C15 H15 123.9 . . ?
C12 C13 C14 112.3(11) . . ?
C12 C13 H13 123.9 . . ?
C14 C13 H13 123.9 . . ?
C14 S12 C12 89.2(3) . 2_565 ?
C14 C14 C13 106.1(7) 2_565 . ?
C14 C14 C15 103.7(8) 2_565 . ?
C14 C14 S11 121.1(5) 2_565 . ?
C15 C14 S11 135.1(7) . . ?
C14 C14 S12 118.6(5) 2_565 . ?
C13 C14 S12 135.1(7) . . ?
C21 O21 Eu1 166.8(3) . . ?
C21 O21 Eu1 87.2(2) . 2_666 ?
Eu1 O21 Eu1 105.37(9) . 2_666 ?
O22 C21 O21 122.1(3) . . ?
O22 C21 C22 119.1(3) . . ?
O21 C21 C22 118.8(4) . . ?
O22 C21 Eu1 55.42(19) . 2_666 ?
O21 C21 Eu1 67.1(2) . 2_666 ?
C22 C21 Eu1 170.1(3) . 2_666 ?
C21 O22 Eu1 99.8(2) . 2_666 ?
C23 C22 C21 128.2(4) . . ?
C23 C22 S22 113.4(3) . 2_676 ?
C21 C22 S22 118.3(3) . 2_676 ?
C22 C23 C24 110.3(4) . . ?
C22 C23 H23 124.9 . . ?
C24 C23 H23 124.9 . . ?
C24 C24 C23 114.8(5) 2_676 . ?
C24 C24 S22 110.9(4) 2_676 . ?
C23 C24 S22 134.3(3) . . ?
C24 S22 C22 90.55(19) . 2_676 ?
C31 O31 Eu1 137.6(3) . . ?
O31 C31 O32 127.3(4) . . ?
O31 C31 C32 116.6(4) . . ?
O32 C31 C32 116.1(4) . . ?
C31 O32 Eu1 133.5(3) . 2_666 ?
C33 C32 C35 98.4(11) . 2_665 ?
C33 C32 C31 127.7(5) . . ?
C35 C32 C31 133.9(11) 2_665 . ?
C35 C32 S31 110.6(12) 2_665 . ?
C31 C32 S31 115.5(5) . . ?
C33 C32 S32 112.7(4) . 2_665 ?
C31 C32 S32 119.6(3) . 2_665 ?
C32 C33 C34 111.7(6) . . ?
C32 C33 H33 124.1 . . ?
C34 C33 H33 124.1 . . ?
C34 S32 C32 90.4(2) . 2_665 ?
C34 S31 C32 86.2(8) . . ?
C32 C35 C34 120(3) 2_665 . ?
C32 C35 H35 120.0 2_665 . ?
C34 C35 H35 120.0 . . ?
C34 C34 C33 112.0(5) 2_665 . ?
C34 C34 C35 97.8(17) 2_665 . ?
C34 C34 S31 125.3(9) 2_665 . ?
C35 C34 S31 136.8(15) . . ?
C34 C34 S32 113.1(4) 2_665 . ?
C33 C34 S32 134.8(4) . . ?
O1G' C1G C5G 124.3(9) . . ?
O1G C1G C5G 122.0(11) . . ?
O1G' C1G C2G 123.6(9) . . ?
O1G C1G C2G 126.0(11) . . ?
C5G C1G C2G 108.5(6) . . ?
C3G C2G C1G 107.5(7) . . ?
C3G C2G H2G 126.2 . . ?
C1G C2G H2G 126.2 . . ?
C2G C3G C4G 115.0(7) . . ?
C2G C3G H3G 122.5 . . ?
C4G C3G H3G 122.5 . . ?
C3G C4G C5G 102.9(6) . . ?
C3G C4G H4GA 111.2 . . ?
C5G C4G H4GA 111.2 . . ?
C3G C4G H4GB 111.2 . . ?
C5G C4G H4GB 111.2 . . ?
H4GA C4G H4GB 109.1 . . ?
C1G C5G C4G 106.0(6) . . ?
C1G C5G H5GA 110.5 . . ?
C4G C5G H5GA 110.5 . . ?
C1G C5G H5GB 110.5 . . ?
C4G C5G H5GB 110.5 . . ?
H5GA C5G H5GB 108.7 . . ?
O2G C6G C7G 126.7(9) . . ?
O2G C6G C0G 125.1(10) . . ?
C7G C6G C0G 108.1(8) . . ?
C8G C7G C6G 108.1(8) . . ?
C8G C7G H7G 126.0 . . ?
C6G C7G H7G 126.0 . . ?
C7G C8G C9G 110.4(8) . . ?
C7G C8G H8G 124.8 . . ?
C9G C8G H8G 124.8 . . ?
C0G C9G C8G 108.0(7) . . ?
C0G C9G H9GA 110.1 . . ?
C8G C9G H9GA 110.1 . . ?
C0G C9G H9GB 110.1 . . ?
C8G C9G H9GB 110.1 . . ?
H9GA C9G H9GB 108.4 . . ?
C9G C0G C6G 105.5(8) . . ?
C9G C0G H0GA 110.6 . . ?
C6G C0G H0GA 110.6 . . ?
C9G C0G H0GB 110.6 . . ?
C6G C0G H0GB 110.6 . . ?
H0GA C0G H0GB 108.8 . . ?
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 2.339(3) . yes
Eu1 O31 2.402(3) . yes
Eu1 O2M 2.407(3) . yes
Eu1 O32 2.408(3) 2_666 yes
Eu1 O1M 2.436(3) . yes
Eu1 O12 2.438(3) . yes
Eu1 O22 2.450(3) 2_666 yes
Eu1 O11 2.478(3) . yes
Eu1 O21 2.705(3) 2_666 yes
Eu1 C11 2.796(4) . no
Eu1 C21 2.932(4) 2_666 no
Eu1 C1M' 3.176(16) . no
O1M C1M' 1.161(12) . yes
O1M C1M 1.203(8) . yes
C1M C5M 1.416(9) . yes
C1M C2M 1.465(13) . yes
C2M C3M 1.356(15) . yes
C2M H2M 0.9500 . ?
C3M C4M 1.400(10) . yes
C3M H3M 0.9500 . ?
C4M C5M 1.427(9) . yes
C4M H4M1 0.9900 . ?
C4M H4M2 0.9900 . ?
C5M H5M1 0.9900 . ?
C5M H5M2 0.9900 . ?
C1M' N1M' 1.261(14) . yes
C1M' H1M' 0.9500 . ?
N1M' C3M' 1.434(11) . yes
N1M' C2M' 1.436(11) . 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 1.154(8) . yes
O2M C6M' 1.33(3) . yes
C6M N2M 1.249(11) . yes
C6M H6M 0.9500 . ?
N2M C8M 1.439(10) . yes
N2M C7M 1.455(10) . 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' 1.413(11) . yes
C6M' C7M' 1.484(17) . yes
C7M' C8M' 1.332(17) . yes
C7M' H7M' 0.9500 . ?
C8M' C9M' 1.420(11) . yes
C8M' H8M' 0.9500 . ?
C9M' C10' 1.411(11) . yes
C9M' H9M1 0.9900 . ?
C9M' H9M2 0.9900 . ?
C10' H10A 0.9900 . ?
C10' H10B 0.9900 . ?
O11 C11 1.259(5) . yes
C11 O12 1.257(5) . yes
C11 C12 1.475(6) . yes
C12 C13 1.341(18) . yes
C12 C15 1.35(2) 2_565 yes
C12 S11 1.712(6) . yes
C12 S12 1.728(5) 2_565 yes
S11 C14 1.631(7) . yes
C15 C14 1.51(2) . yes
C15 H15 0.9500 . ?
C13 C14 1.49(2) . yes
C13 H13 0.9500 . ?
S12 C14 1.661(6) . yes
C14 C14 1.366(9) 2_565 yes
O21 C21 1.271(5) . yes
C21 O22 1.245(5) . yes
C21 C22 1.474(5) . yes
C22 C23 1.371(6) . yes
C22 S22 1.740(4) 2_676 yes
C23 C24 1.411(5) . yes
C23 H23 0.9500 . ?
C24 C24 1.378(8) 2_676 yes
C24 S22 1.728(4) . yes
O31 C31 1.242(5) . yes
C31 O32 1.261(5) . yes
C31 C32 1.503(5) . yes
C32 C33 1.380(8) . yes
C32 C35 1.41(4) 2_665 yes
C32 S31 1.69(2) . yes
C32 S32 1.733(4) 2_665 yes
C33 C34 1.412(9) . yes
C33 H33 0.9500 . ?
S32 C34 1.708(4) . yes
S31 C34 1.687(10) . yes
C35 C34 1.413(13) . yes
C35 H35 0.9500 . ?
C34 C34 1.385(9) 2_665 yes
O1G C1G 1.252(15) . yes
O1G' C1G 1.236(12) . yes
C1G C5G 1.460(10) . yes
C1G C2G 1.460(10) . yes
C2G C3G 1.317(9) . yes
C2G H2G 0.9500 . ?
C3G C4G 1.457(11) . yes
C3G H3G 0.9500 . ?
C4G C5G 1.513(10) . yes
C4G H4GA 0.9900 . ?
C4G H4GB 0.9900 . ?
C5G H5GA 0.9900 . ?
C5G H5GB 0.9900 . ?
O2G C6G 1.241(10) . yes
C6G C7G 1.458(13) . yes
C6G C0G 1.490(11) . yes
C7G C8G 1.373(11) . yes
C7G H7G 0.9500 . ?
C8G C9G 1.462(10) . yes
C8G H8G 0.9500 . ?
C9G C0G 1.442(11) . yes
C9G H9GA 0.9900 . ?
C9G H9GB 0.9900 . ?
C0G H0GA 0.9900 . ?
C0G H0GB 0.9900 . ?
