# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dp678-2-cpo_auto
_database_code_depnum_ccdc_archive 'CCDC 2219410'
loop_
_audit_author_name
_audit_author_address
'Pavel Demakov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H56 Eu2 N2 O20 S6'
_chemical_formula_weight         1621.34

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2956(4)
_cell_length_b                   12.0825(5)
_cell_length_c                   13.0422(6)
_cell_angle_alpha                101.757(4)
_cell_angle_beta                 100.547(4)
_cell_angle_gamma                104.878(3)
_cell_volume                     1631.28(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8188
_cell_measurement_theta_min      2.71
_cell_measurement_theta_max      28.57

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_F_000             812
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    2.170
_shelx_estimated_absorpt_T_min   0.592
_shelx_estimated_absorpt_T_max   0.766
_exptl_absorpt_correction_T_min  0.98909
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_probe          x-ray
_diffrn_source                   'sealed X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_detector_area_resol_mean 10.6
_diffrn_reflns_number            12669
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.93
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5978
_reflns_number_gt                5412
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0435P)²+2.3336P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5978
_refine_ls_number_parameters     539
_refine_ls_number_restraints     665
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0824
_refine_ls_wR_factor_gt          0.0799
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
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 . ?

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 . . ?

_refine_diff_density_max         0.967
_refine_diff_density_min         -0.916
_refine_diff_density_rms         0.102



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dp678-2-cpo2_auto
_database_code_depnum_ccdc_archive 'CCDC 2219413'
loop_
_audit_author_name
_audit_author_address
'Pavel Demakov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H56 Eu2 N2 O20 S6'
_chemical_formula_weight         1621.34

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.4544(4)
_cell_length_b                   12.0514(4)
_cell_length_c                   13.0101(4)
_cell_angle_alpha                99.941(3)
_cell_angle_beta                 100.886(3)
_cell_angle_gamma                108.091(3)
_cell_volume                     1624.16(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7685
_cell_measurement_theta_min      2.68
_cell_measurement_theta_max      28.74

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_F_000             812
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    2.180
_shelx_estimated_absorpt_T_min   0.591
_shelx_estimated_absorpt_T_max   0.765
_exptl_absorpt_correction_T_min  0.99181
_exptl_absorpt_correction_T_max  1.00000
_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_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_probe          x-ray
_diffrn_source                   'sealed X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_detector_area_resol_mean 10.6
_diffrn_reflns_number            12730
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.84
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5946
_reflns_number_gt                5267
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'

_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0477P)²+2.6262P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5946
_refine_ls_number_parameters     538
_refine_ls_number_restraints     666
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0353
_refine_ls_wR_factor_ref         0.0925
_refine_ls_wR_factor_gt          0.0890
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
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 . ?

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 . . ?

_refine_diff_density_max         1.102
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.112



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dp700-1_auto
_database_code_depnum_ccdc_archive 'CCDC 2219411'
loop_
_audit_author_name
_audit_author_address
'Pavel Demakov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63 H67 Eu2 N3 O20 S6'
_chemical_formula_weight         1682.47

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8850(3)
_cell_length_b                   12.0883(3)
_cell_length_c                   13.0418(2)
_cell_angle_alpha                99.461(2)
_cell_angle_beta                 101.729(2)
_cell_angle_gamma                105.724(2)
_cell_volume                     1717.39(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    16495
_cell_measurement_theta_min      2.68
_cell_measurement_theta_max      28.72

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_F_000             848
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    2.065
_shelx_estimated_absorpt_T_min   0.419
_shelx_estimated_absorpt_T_max   0.747
_exptl_absorpt_correction_T_min  0.86540
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.116a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_probe          x-ray
_diffrn_source                   'sealed X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_detector_area_resol_mean 10.6
_diffrn_reflns_number            24706
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6292
_reflns_number_gt                5822
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0346P)²+7.3983P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6292
_refine_ls_number_parameters     578
_refine_ls_number_restraints     1114
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0343
_refine_ls_wR_factor_ref         0.0845
_refine_ls_wR_factor_gt          0.0823
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.151
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.67791(2) 0.52941(2) 0.54267(2) 0.01688(8) Uani 1 1 d . . . . .
O1M O 0.8531(3) 0.6276(3) 0.4817(3) 0.0370(8) Uani 1 1 d D U . . .
C11M C 0.934(2) 0.7215(19) 0.5088(17) 0.054(3) Uani 0.5 1 d . U P A 1
H11M H 0.937168 0.765191 0.577425 0.064 Uiso 0.5 1 calc R U P A 1
N11M N 1.0103(16) 0.7728(18) 0.4723(14) 0.062(2) Uani 0.5 1 d . U P A 1
C12M C 1.1184(14) 0.8783(14) 0.5491(13) 0.064(3) Uani 0.5 1 d . U P A 1
H12A H 1.194292 0.873878 0.532993 0.096 Uiso 0.5 1 calc R U P A 1
H12B H 1.122036 0.874075 0.624009 0.096 Uiso 0.5 1 calc R U P A 1
H12C H 1.106437 0.953085 0.538228 0.096 Uiso 0.5 1 calc R U P A 1
C13M C 1.0126(17) 0.6941(17) 0.3679(16) 0.062(3) Uani 0.5 1 d . U P A 1
H13A H 0.929462 0.651350 0.325023 0.094 Uiso 0.5 1 calc R U P A 1
H13B H 1.054425 0.637429 0.385651 0.094 Uiso 0.5 1 calc R U P A 1
H13C H 1.055449 0.743526 0.326490 0.094 Uiso 0.5 1 calc R U P A 1
C21M C 0.9246(19) 0.7252(15) 0.5287(15) 0.050(3) Uani 0.5 1 d D U P A 2
C22M C 1.0277(19) 0.776(2) 0.4886(16) 0.061(3) Uani 0.5 1 d D U P A 2
C23M C 1.0418(17) 0.7303(16) 0.3810(15) 0.062(3) Uani 0.5 1 d D U P A 2
H23A H 0.971577 0.661297 0.342249 0.092 Uiso 0.5 1 calc R U P A 2
H23B H 1.115619 0.707497 0.389268 0.092 Uiso 0.5 1 calc R U P A 2
H23C H 1.047469 0.791956 0.340148 0.092 Uiso 0.5 1 calc R U P A 2
C24M C 1.0885(16) 0.8833(15) 0.5038(13) 0.076(3) Uani 0.5 1 d D U P A 2
H24M H 1.132680 0.922843 0.460185 0.091 Uiso 0.5 1 calc R U P A 2
C25M C 1.0705(15) 0.9298(16) 0.6112(13) 0.090(3) Uani 0.5 1 d D U P A 2
H25A H 1.138180 0.932208 0.670946 0.108 Uiso 0.5 1 calc R U P A 2
H25B H 1.062369 1.009795 0.616885 0.108 Uiso 0.5 1 calc R U P A 2
C26M C 0.9553(13) 0.8413(12) 0.6108(13) 0.078(3) Uani 0.5 1 d D U P A 2
H26A H 0.888363 0.875155 0.595074 0.094 Uiso 0.5 1 calc R U P A 2
H26B H 0.961681 0.825247 0.683496 0.094 Uiso 0.5 1 calc R U P A 2
O2M O 0.7410(4) 0.3757(3) 0.4526(3) 0.0435(9) Uani 1 1 d . U . . .
C4M C 0.7893(6) 0.3652(5) 0.3775(5) 0.0481(14) Uani 1 1 d . U . . .
H4M H 0.863262 0.424546 0.383878 0.058 Uiso 1 1 calc R U . . .
N2M N 0.7493(5) 0.2824(5) 0.2927(4) 0.0573(14) Uani 1 1 d . U . . .
C5M C 0.8126(7) 0.2774(8) 0.2085(6) 0.078(2) Uani 1 1 d . U . . .
H5MA H 0.766670 0.293806 0.144635 0.116 Uiso 1 1 calc R U . . .
H5MB H 0.820668 0.198465 0.190012 0.116 Uiso 1 1 calc R U . . .
H5MC H 0.893263 0.336465 0.234206 0.116 Uiso 1 1 calc R U . . .
C6M C 0.6301(10) 0.1981(10) 0.2739(9) 0.120(4) Uani 1 1 d . U . . .
H6MA H 0.588565 0.177654 0.197102 0.181 Uiso 1 1 calc R U . . .
H6MB H 0.582997 0.232974 0.315477 0.181 Uiso 1 1 calc R U . . .
H6MC H 0.638052 0.126562 0.296593 0.181 Uiso 1 1 calc R U . . .
O11 O 0.8505(3) 0.6085(3) 0.7019(2) 0.0253(7) Uani 1 1 d . . . . .
C11 C 0.8278(4) 0.5120(4) 0.7309(3) 0.0244(2) Uani 1 1 d . U . . .
O12 O 0.7491(3) 0.4191(3) 0.6714(2) 0.0245(3) Uani 1 1 d . U . . .
C12 C 0.8945(4) 0.5079(3) 0.8369(3) 0.0244(2) Uani 1 1 d D U . . .
C13 C 0.9070(6) 0.4122(5) 0.8739(4) 0.0244(2) Uani 0.768(3) 1 d D U P B 1
H13 H 0.871207 0.333532 0.831593 0.029 Uiso 0.768(3) 1 calc R U P B 1
S11 S 1.02456(16) 0.36118(14) 1.06802(13) 0.0243(2) Uani 0.768(3) 1 d D U P B 1
S11' S 0.8795(5) 0.3736(4) 0.8668(4) 0.0244(2) Uani 0.232(3) 1 d D U P B 2
C13' C 1.0212(17) 0.386(2) 1.0641(14) 0.0243(2) Uani 0.232(3) 1 d D U P B 2
H13' H 1.003297 0.303917 1.060672 0.029 Uiso 0.232(3) 1 calc R U P B 2
C14 C 0.9786(4) 0.4404(4) 0.9818(3) 0.0244(2) Uani 1 1 d D U . . .
O21 O 0.5938(3) 0.5608(3) 0.6945(2) 0.0242(6) Uani 1 1 d . . . . .
C21 C 0.4936(4) 0.5241(4) 0.7144(3) 0.0220(7) Uani 1 1 d . U . . .
O22 O 0.3908(3) 0.4893(3) 0.6483(2) 0.0262(6) Uani 1 1 d . U . . .
C22 C 0.4959(4) 0.5198(4) 0.8284(3) 0.0218(7) Uani 1 1 d D U . . .
C23 C 0.5963(5) 0.5429(6) 0.9145(3) 0.0216(8) Uani 0.894(4) 1 d D U P C 1
H23 H 0.677758 0.570197 0.910523 0.026 Uiso 0.894(4) 1 calc R U P C 1
S21 S 0.63937(12) 0.53067(12) 1.13689(10) 0.0273(4) Uani 0.894(4) 1 d D U P C 1
S21' S 0.6335(7) 0.5649(12) 0.9176(6) 0.0219(12) Uani 0.106(4) 1 d D U P C 2
C23' C 0.594(5) 0.518(2) 1.1173(8) 0.0260(15) Uani 0.106(4) 1 d D U P C 2
H23' H 0.677550 0.541293 1.155020 0.031 Uiso 0.106(4) 1 calc R U P C 2
C24 C 0.5620(4) 0.5206(4) 1.0084(3) 0.0237(7) Uani 1 1 d D U . . .
O31 O 0.4964(3) 0.3730(2) 0.5030(2) 0.0214(6) Uani 1 1 d . . . . .
C31 C 0.4167(4) 0.2720(4) 0.4672(3) 0.0210(8) Uani 1 1 d . U . . .
O32 O 0.3081(3) 0.2603(3) 0.4270(2) 0.0273(7) Uani 1 1 d . U . . .
C32 C 0.4524(4) 0.1655(4) 0.4767(3) 0.0223(9) Uani 1 1 d D U . . .
C33 C 0.5587(4) 0.1598(3) 0.5377(3) 0.0244(9) Uani 1 1 d D U . . .
H33 H 0.625771 0.226503 0.577856 0.029 Uiso 1 1 calc R U . . .
S31 S 0.65261(10) -0.02791(9) 0.58708(9) 0.0275(2) Uani 1 1 d D U . . .
C34 C 0.5545(4) 0.0412(3) 0.5324(3) 0.0242(9) Uani 1 1 d D U . . .
O1G O 0.3201(7) 0.0510(6) 0.8710(6) 0.116(2) Uani 1 1 d D U . . .
C11G C 0.4152(8) 0.1276(8) 0.8741(7) 0.090(2) Uani 1 1 d D U . . .
C12G C 0.5306(8) 0.1742(9) 0.9628(8) 0.097(2) Uani 1 1 d D U . . .
H12D H 0.557599 0.108718 0.984113 0.116 Uiso 1 1 calc R U . . .
H12E H 0.520072 0.222953 1.026790 0.116 Uiso 1 1 calc R U . . .
C13G C 0.6204(8) 0.2484(8) 0.9138(7) 0.089(2) Uani 1 1 d D U . . .
H13D H 0.661772 0.328439 0.960910 0.107 Uiso 1 1 calc R U . . .
H13E H 0.681875 0.210445 0.900678 0.107 Uiso 1 1 calc R U . . .
C14G C 0.5424(8) 0.2533(7) 0.8104(6) 0.079(2) Uani 1 1 d D U . . .
H14G H 0.574573 0.298593 0.763926 0.094 Uiso 1 1 calc R U . . .
C15G C 0.4276(8) 0.1921(7) 0.7870(6) 0.0755(18) Uani 1 1 d D U . . .
C16G C 0.3219(9) 0.1804(8) 0.6965(6) 0.094(2) Uani 1 1 d D U . . .
H16A H 0.340009 0.249177 0.664776 0.141 Uiso 1 1 calc R U . . .
H16B H 0.250317 0.176060 0.723947 0.141 Uiso 1 1 calc R U . . .
H16C H 0.306052 0.108344 0.641431 0.141 Uiso 1 1 calc R U . . .
O3G O 0.8535(7) 0.1454(6) 0.8655(7) 0.0847(19) Uani 0.768(3) 1 d D U P B 1
C31G C 0.8361(11) 0.0432(8) 0.8641(10) 0.072(2) Uani 0.768(3) 1 d D U P B 1
C32G C 0.7371(11) -0.0536(9) 0.8806(11) 0.092(2) Uani 0.768(3) 1 d D U P B 1
H32A H 0.658136 -0.066607 0.829507 0.111 Uiso 0.768(3) 1 calc R U P B 1
H32B H 0.729266 -0.038890 0.955339 0.111 Uiso 0.768(3) 1 calc R U P B 1
C33G C 0.7883(12) -0.1561(10) 0.8557(12) 0.097(3) Uani 0.768(3) 1 d D U P B 1
H33A H 0.789838 -0.200560 0.912977 0.117 Uiso 0.768(3) 1 calc R U P B 1
H33B H 0.741655 -0.211076 0.785525 0.117 Uiso 0.768(3) 1 calc R U P B 1
C34G C 0.9098(13) -0.0920(12) 0.8529(12) 0.113(3) Uani 0.768(3) 1 d D U P B 1
H34G H 0.962030 -0.136785 0.839838 0.136 Uiso 0.768(3) 1 calc R U P B 1
C35G C 0.9504(11) 0.0167(11) 0.8662(11) 0.101(3) Uani 0.768(3) 1 d D U P B 1
C36G C 1.0652(13) 0.1027(14) 0.8677(13) 0.126(4) Uani 0.768(3) 1 d D U P B 1
H36A H 1.052837 0.139736 0.806681 0.188 Uiso 0.768(3) 1 calc R U P B 1
H36B H 1.125700 0.062264 0.862323 0.188 Uiso 0.768(3) 1 calc R U P B 1
H36C H 1.093815 0.163573 0.935155 0.188 Uiso 0.768(3) 1 calc R U P B 1
O2G O 0.844(2) 0.1415(19) 0.951(2) 0.084(4) Uani 0.232(3) 1 d D U P B 2
C21G C 0.827(3) 0.045(3) 0.890(4) 0.082(3) Uani 0.232(3) 1 d D U P B 2
C22G C 0.695(3) -0.021(2) 0.876(3) 0.059(3) Uani 0.232(3) 1 d D U P B 2
H22A H 0.642305 -0.000349 0.818196 0.071 Uiso 0.232(3) 1 calc R U P B 2
H22B H 0.670920 -0.004391 0.943655 0.071 Uiso 0.232(3) 1 calc R U P B 2
C23G C 0.690(3) -0.150(2) 0.845(3) 0.063(3) Uani 0.232(3) 1 d D U P B 2
H23F H 0.678797 -0.189372 0.904660 0.076 Uiso 0.232(3) 1 calc R U P B 2
H23G H 0.622601 -0.193695 0.780469 0.076 Uiso 0.232(3) 1 calc R U P B 2
C24G C 0.811(3) -0.149(3) 0.821(3) 0.081(3) Uani 0.232(3) 1 d D U P B 2
H24G H 0.834821 -0.217349 0.801419 0.098 Uiso 0.232(3) 1 calc R U P B 2
C25G C 0.875(3) -0.043(3) 0.831(3) 0.082(3) Uani 0.232(3) 1 d D U P B 2
C26G C 0.998(3) -0.024(4) 0.808(3) 0.095(4) Uani 0.232(3) 1 d D U P B 2
H26C H 0.999086 -0.096238 0.762194 0.142 Uiso 0.232(3) 1 calc R U P B 2
H26D H 1.060746 -0.003222 0.875808 0.142 Uiso 0.232(3) 1 calc R U P B 2
H26E H 1.013773 0.040786 0.770765 0.142 Uiso 0.232(3) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O31 2.347(3) . yes
Eu1 O2M 2.407(3) . yes
Eu1 O22 2.410(3) 2_666 yes
Eu1 O21 2.414(3) . yes
Eu1 O11 2.446(3) . yes
Eu1 O1M 2.453(3) . yes
Eu1 O32 2.462(3) 2_666 yes
Eu1 O12 2.467(3) . yes
Eu1 O31 2.663(3) 2_666 yes
Eu1 C11 2.800(4) . no
Eu1 C31 2.924(4) 2_666 no
Eu1 Eu1 3.9780(4) 2_666 no
O1M C11M 1.217(19) . yes
O1M C21M 1.224(13) . yes
C11M N11M 1.18(2) . yes
C11M H11M 0.9500 . ?
N11M C13M 1.54(2) . yes
N11M C12M 1.56(2) . yes
C12M H12A 0.9800 . ?
C12M H12B 0.9800 . ?
C12M H12C 0.9800 . ?
C13M H13A 0.9800 . ?
C13M H13B 0.9800 . ?
C13M H13C 0.9800 . ?
C21M C22M 1.453(14) . yes
C21M C26M 1.523(13) . yes
C22M C24M 1.261(18) . yes
C22M C23M 1.482(14) . yes
C23M H23A 0.9800 . ?
C23M H23B 0.9800 . ?
C23M H23C 0.9800 . ?
C24M C25M 1.501(14) . yes
C24M H24M 0.9500 . ?
C25M C26M 1.491(13) . yes
C25M H25A 0.9900 . ?
C25M H25B 0.9900 . ?
C26M H26A 0.9900 . ?
C26M H26B 0.9900 . ?
O2M C4M 1.237(7) . yes
C4M N2M 1.271(8) . yes
C4M H4M 0.9500 . ?
N2M C6M 1.450(11) . yes
N2M C5M 1.454(8) . yes
C5M H5MA 0.9800 . ?
C5M H5MB 0.9800 . ?
C5M H5MC 0.9800 . ?
C6M H6MA 0.9800 . ?
C6M H6MB 0.9800 . ?
C6M H6MC 0.9800 . ?
O11 C11 1.262(5) . yes
C11 O12 1.260(5) . yes
C11 C12 1.463(5) . yes
C12 C13 1.357(6) . yes
C12 C13' 1.60(3) 2_767 yes
C12 S11' 1.703(5) . yes
C12 S11 1.736(4) 2_767 yes
C13 C14 1.421(5) . yes
C13 H13 0.9500 . ?
S11 C14 1.693(4) . yes
S11' C14 1.630(5) . yes
C13' C14 1.424(8) . yes
C13' H13' 0.9500 . ?
C14 C14 1.357(8) 2_767 yes
O21 C21 1.248(5) . yes
C21 O22 1.260(5) . yes
C21 C22 1.491(5) . yes
C22 C23 1.391(5) . yes
C22 C23' 1.42(5) 2_667 yes
C22 S21' 1.691(7) . yes
C22 S21 1.737(4) 2_667 yes
C23 C24 1.411(5) . yes
C23 H23 0.9500 . ?
S21 C24 1.707(4) . yes
S21' C24 1.668(7) . yes
C23' C24 1.403(8) . yes
C23' H23' 0.9500 . ?
C24 C24 1.380(8) 2_667 yes
O31 C31 1.270(5) . yes
C31 O32 1.249(5) . yes
C31 C32 1.476(6) . yes
C32 C33 1.375(5) . yes
C32 S31 1.736(4) 2_656 yes
C33 C34 1.411(5) . yes
C33 H33 0.9500 . ?
S31 C34 1.718(4) . yes
C34 C34 1.401(8) 2_656 yes
O1G C11G 1.241(9) . yes
C11G C15G 1.489(9) . yes
C11G C12G 1.503(10) . yes
C12G C13G 1.516(10) . yes
C12G H12D 0.9900 . ?
C12G H12E 0.9900 . ?
C13G C14G 1.493(10) . yes
C13G H13D 0.9900 . ?
C13G H13E 0.9900 . ?
C14G C15G 1.308(10) . yes
C14G H14G 0.9500 . ?
C15G C16G 1.496(10) . yes
C16G H16A 0.9800 . ?
C16G H16B 0.9800 . ?
C16G H16C 0.9800 . ?
O3G C31G 1.192(10) . yes
C31G C35G 1.474(12) . yes
C31G C32G 1.496(11) . yes
C32G C33G 1.539(12) . yes
C32G H32A 0.9900 . ?
C32G H32B 0.9900 . ?
C33G C34G 1.452(12) . yes
C33G H33A 0.9900 . ?
C33G H33B 0.9900 . ?
C34G C35G 1.240(14) . yes
C34G H34G 0.9500 . ?
C35G C36G 1.469(12) . yes
C36G H36A 0.9800 . ?
C36G H36B 0.9800 . ?
C36G H36C 0.9800 . ?
O2G C21G 1.244(17) . yes
C21G C22G 1.512(15) . yes
C21G C25G 1.514(15) . yes
C22G C23G 1.531(15) . yes
C22G H22A 0.9900 . ?
C22G H22B 0.9900 . ?
C23G C24G 1.528(15) . yes
C23G H23F 0.9900 . ?
C23G H23G 0.9900 . ?
C24G C25G 1.272(19) . yes
C24G H24G 0.9500 . ?
C25G C26G 1.514(15) . yes
C26G H26C 0.9800 . ?
C26G H26D 0.9800 . ?
C26G H26E 0.9800 . ?

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
O31 Eu1 O2M 81.43(12) . . ?
O31 Eu1 O22 80.28(10) . 2_666 ?
O2M Eu1 O22 72.46(11) . 2_666 ?
O31 Eu1 O21 74.27(10) . . ?
O2M Eu1 O21 136.64(11) . . ?
O22 Eu1 O21 135.17(10) 2_666 . ?
O31 Eu1 O11 132.01(9) . . ?
O2M Eu1 O11 98.27(12) . . ?
O22 Eu1 O11 145.75(10) 2_666 . ?
O21 Eu1 O11 74.01(10) . . ?
O31 Eu1 O1M 147.16(10) . . ?
O2M Eu1 O1M 73.24(13) . . ?
O22 Eu1 O1M 72.48(11) 2_666 . ?
O21 Eu1 O1M 138.49(11) . . ?
O11 Eu1 O1M 73.28(11) . . ?
O31 Eu1 O32 124.44(10) . 2_666 ?
O2M Eu1 O32 145.89(12) . 2_666 ?
O22 Eu1 O32 89.18(10) 2_666 2_666 ?
O21 Eu1 O32 76.25(10) . 2_666 ?
O11 Eu1 O32 80.73(10) . 2_666 ?
O1M Eu1 O32 73.89(12) . 2_666 ?
O31 Eu1 O12 82.90(10) . . ?
O2M Eu1 O12 69.91(11) . . ?
O22 Eu1 O12 140.56(10) 2_666 . ?
O21 Eu1 O12 71.85(10) . . ?
O11 Eu1 O12 53.34(10) . . ?
O1M Eu1 O12 106.82(11) . . ?
O32 Eu1 O12 129.34(10) 2_666 . ?
O31 Eu1 O31 75.06(10) . 2_666 ?
O2M Eu1 O31 136.99(11) . 2_666 ?
O22 Eu1 O31 68.45(9) 2_666 2_666 ?
O21 Eu1 O31 69.64(9) . 2_666 ?
O11 Eu1 O31 124.22(9) . 2_666 ?
O1M Eu1 O31 110.16(11) . 2_666 ?
O32 Eu1 O31 50.70(9) 2_666 2_666 ?
O12 Eu1 O31 139.47(10) . 2_666 ?
O31 Eu1 C11 106.95(11) . . ?
O2M Eu1 C11 85.36(13) . . ?
O22 Eu1 C11 155.57(12) 2_666 . ?
O21 Eu1 C11 68.70(12) . . ?
O11 Eu1 C11 26.77(11) . . ?
O1M Eu1 C11 91.70(12) . . ?
O32 Eu1 C11 104.51(11) 2_666 . ?
O12 Eu1 C11 26.73(11) . . ?
O31 Eu1 C11 135.72(11) 2_666 . ?
O31 Eu1 C31 100.33(11) . 2_666 ?
O2M Eu1 C31 148.98(11) . 2_666 ?
O22 Eu1 C31 77.30(11) 2_666 2_666 ?
O21 Eu1 C31 71.87(11) . 2_666 ?
O11 Eu1 C31 102.87(11) . 2_666 ?
O1M Eu1 C31 91.35(12) . 2_666 ?
O32 Eu1 C31 24.99(11) 2_666 2_666 ?
O12 Eu1 C31 141.10(10) . 2_666 ?
O31 Eu1 C31 25.74(10) 2_666 2_666 ?
C11 Eu1 C31 122.64(12) . 2_666 ?
O31 Eu1 Eu1 40.31(7) . 2_666 ?
O2M Eu1 Eu1 113.68(10) . 2_666 ?
O22 Eu1 Eu1 69.79(7) 2_666 2_666 ?
O21 Eu1 Eu1 66.86(7) . 2_666 ?
O11 Eu1 Eu1 140.48(7) . 2_666 ?
O1M Eu1 Eu1 136.59(8) . 2_666 ?
O32 Eu1 Eu1 84.82(7) 2_666 2_666 ?
O12 Eu1 Eu1 115.85(7) . 2_666 ?
O31 Eu1 Eu1 34.76(6) 2_666 2_666 ?
C11 Eu1 Eu1 130.64(10) . 2_666 ?
C31 Eu1 Eu1 60.18(8) 2_666 2_666 ?
C11M O1M Eu1 137.7(10) . . ?
C21M O1M Eu1 123.5(7) . . ?
N11M C11M O1M 136.8(19) . . ?
N11M C11M H11M 111.6 . . ?
O1M C11M H11M 111.6 . . ?
C11M N11M C13M 110.3(17) . . ?
C11M N11M C12M 118.6(17) . . ?
C13M N11M C12M 126.4(14) . . ?
N11M C12M H12A 109.5 . . ?
N11M C12M H12B 109.5 . . ?
H12A C12M H12B 109.5 . . ?
N11M C12M H12C 109.5 . . ?
H12A C12M H12C 109.5 . . ?
H12B C12M H12C 109.5 . . ?
N11M C13M H13A 109.5 . . ?
N11M C13M H13B 109.5 . . ?
H13A C13M H13B 109.5 . . ?
N11M C13M H13C 109.5 . . ?
H13A C13M H13C 109.5 . . ?
H13B C13M H13C 109.5 . . ?
O1M C21M C22M 120.1(13) . . ?
O1M C21M C26M 149.3(15) . . ?
C22M C21M C26M 89.8(13) . . ?
C24M C22M C21M 129(2) . . ?
C24M C22M C23M 99.5(15) . . ?
C21M C22M C23M 124.4(15) . . ?
C22M C23M H23A 109.5 . . ?
C22M C23M H23B 109.5 . . ?
H23A C23M H23B 109.5 . . ?
C22M C23M H23C 109.5 . . ?
H23A C23M H23C 109.5 . . ?
H23B C23M H23C 109.5 . . ?
C22M C24M C25M 99.2(15) . . ?
C22M C24M H24M 130.4 . . ?
C25M C24M H24M 130.4 . . ?
C26M C25M C24M 102.1(13) . . ?
C26M C25M H25A 111.4 . . ?
C24M C25M H25A 111.4 . . ?
C26M C25M H25B 111.4 . . ?
C24M C25M H25B 111.4 . . ?
H25A C25M H25B 109.2 . . ?
C25M C26M C21M 113.1(12) . . ?
C25M C26M H26A 109.0 . . ?
C21M C26M H26A 109.0 . . ?
C25M C26M H26B 109.0 . . ?
C21M C26M H26B 109.0 . . ?
H26A C26M H26B 107.8 . . ?
C4M O2M Eu1 134.7(4) . . ?
O2M C4M N2M 126.1(6) . . ?
O2M C4M H4M 117.0 . . ?
N2M C4M H4M 117.0 . . ?
C4M N2M C6M 118.6(6) . . ?
C4M N2M C5M 122.2(6) . . ?
C6M N2M C5M 118.8(6) . . ?
N2M C5M H5MA 109.5 . . ?
N2M C5M H5MB 109.5 . . ?
H5MA C5M H5MB 109.5 . . ?
N2M C5M H5MC 109.5 . . ?
H5MA C5M H5MC 109.5 . . ?
H5MB C5M H5MC 109.5 . . ?
N2M C6M H6MA 109.5 . . ?
N2M C6M H6MB 109.5 . . ?
H6MA C6M H6MB 109.5 . . ?
N2M C6M H6MC 109.5 . . ?
H6MA C6M H6MC 109.5 . . ?
H6MB C6M H6MC 109.5 . . ?
C11 O11 Eu1 92.4(2) . . ?
O12 C11 O11 122.0(4) . . ?
O12 C11 C12 119.0(4) . . ?
O11 C11 C12 119.1(4) . . ?
O12 C11 Eu1 61.7(2) . . ?
O11 C11 Eu1 60.8(2) . . ?
C12 C11 Eu1 172.0(3) . . ?
C11 O12 Eu1 91.5(2) . . ?
C13 C12 C11 128.7(4) . . ?
C13 C12 C13' 101.7(5) . 2_767 ?
C11 C12 C13' 129.5(5) . 2_767 ?
C11 C12 S11' 118.4(3) . . ?
C13' C12 S11' 112.1(5) 2_767 . ?
C13 C12 S11 111.7(3) . 2_767 ?
C11 C12 S11 119.5(3) . 2_767 ?
C12 C13 C14 113.9(5) . . ?
C12 C13 H13 123.1 . . ?
C14 C13 H13 123.1 . . ?
C14 S11 C12 89.32(18) . 2_767 ?
C14 S11' C12 88.6(3) . . ?
C14 C13' C12 105.8(14) . 2_767 ?
C14 C13' H13' 127.1 . . ?
C12 C13' H13' 127.1 2_767 . ?
C14 C14 C13 108.9(4) 2_767 . ?
C14 C14 C13' 109.6(12) 2_767 . ?
C14 C14 S11' 123.3(4) 2_767 . ?
C13' C14 S11' 126.6(12) . . ?
C14 C14 S11 116.1(3) 2_767 . ?
C13 C14 S11 134.9(4) . . ?
C21 O21 Eu1 136.8(3) . . ?
O21 C21 O22 127.0(4) . . ?
O21 C21 C22 116.6(4) . . ?
O22 C21 C22 116.5(4) . . ?
C21 O22 Eu1 133.9(3) . 2_666 ?
C23 C22 C23' 97.6(12) . 2_667 ?
C23 C22 C21 128.0(4) . . ?
C23' C22 C21 134.2(13) 2_667 . ?
C23' C22 S21' 108.9(13) 2_667 . ?
C21 C22 S21' 116.9(4) . . ?
C23 C22 S21 112.2(3) . 2_667 ?
C21 C22 S21 119.6(3) . 2_667 ?
C22 C23 C24 111.6(5) . . ?
C22 C23 H23 124.2 . . ?
C24 C23 H23 124.2 . . ?
C24 S21 C22 90.66(19) . 2_667 ?
C24 S21' C22 87.2(4) . . ?
C24 C23' C22 121(4) . 2_667 ?
C24 C23' H23' 119.7 . . ?
C22 C23' H23' 119.7 2_667 . ?
C24 C24 C23' 98(2) 2_667 . ?
C24 C24 C23 112.4(5) 2_667 . ?
C24 C24 S21' 125.2(5) 2_667 . ?
C23' C24 S21' 137(2) . . ?
C24 C24 S21 113.1(4) 2_667 . ?
C23 C24 S21 134.4(4) . . ?
C31 O31 Eu1 162.5(3) . . ?
C31 O31 Eu1 88.7(2) . 2_666 ?
Eu1 O31 Eu1 104.94(10) . 2_666 ?
O32 C31 O31 121.9(4) . . ?
O32 C31 C32 119.0(4) . . ?
O31 C31 C32 119.1(4) . . ?
O32 C31 Eu1 56.3(2) . 2_666 ?
O31 C31 Eu1 65.6(2) . 2_666 ?
C32 C31 Eu1 173.5(3) . 2_666 ?
C31 O32 Eu1 98.7(2) . 2_666 ?
C33 C32 C31 127.7(4) . . ?
C33 C32 S31 113.6(3) . 2_656 ?
C31 C32 S31 118.5(3) . 2_656 ?
C32 C33 C34 110.6(4) . . ?
C32 C33 H33 124.7 . . ?
C34 C33 H33 124.7 . . ?
C34 S31 C32 90.81(19) . 2_656 ?
C34 C34 C33 113.8(4) 2_656 . ?
C34 C34 S31 111.2(4) 2_656 . ?
C33 C34 S31 135.0(3) . . ?
O1G C11G C15G 122.6(9) . . ?
O1G C11G C12G 127.9(8) . . ?
C15G C11G C12G 109.5(7) . . ?
C11G C12G C13G 103.9(7) . . ?
C11G C12G H12D 111.0 . . ?
C13G C12G H12D 111.0 . . ?
C11G C12G H12E 111.0 . . ?
C13G C12G H12E 111.0 . . ?
H12D C12G H12E 109.0 . . ?
C14G C13G C12G 103.1(7) . . ?
C14G C13G H13D 111.1 . . ?
C12G C13G H13D 111.1 . . ?
C14G C13G H13E 111.1 . . ?
C12G C13G H13E 111.1 . . ?
H13D C13G H13E 109.1 . . ?
C15G C14G C13G 116.6(8) . . ?
C15G C14G H14G 121.7 . . ?
C13G C14G H14G 121.7 . . ?
C14G C15G C11G 105.4(8) . . ?
C14G C15G C16G 132.4(8) . . ?
C11G C15G C16G 122.2(7) . . ?
C15G C16G H16A 109.5 . . ?
C15G C16G H16B 109.5 . . ?
H16A C16G H16B 109.5 . . ?
C15G C16G H16C 109.5 . . ?
H16A C16G H16C 109.5 . . ?
H16B C16G H16C 109.5 . . ?
O3G C31G C35G 108.6(10) . . ?
O3G C31G C32G 135.5(11) . . ?
C35G C31G C32G 114.8(10) . . ?
C31G C32G C33G 98.5(9) . . ?
C31G C32G H32A 112.1 . . ?
C33G C32G H32A 112.1 . . ?
C31G C32G H32B 112.1 . . ?
C33G C32G H32B 112.1 . . ?
H32A C32G H32B 109.7 . . ?
C34G C33G C32G 100.9(11) . . ?
C34G C33G H33A 111.6 . . ?
C32G C33G H33A 111.6 . . ?
C34G C33G H33B 111.6 . . ?
C32G C33G H33B 111.6 . . ?
H33A C33G H33B 109.4 . . ?
C35G C34G C33G 124.9(14) . . ?
C35G C34G H34G 117.5 . . ?
C33G C34G H34G 117.5 . . ?
C34G C35G C36G 136.5(14) . . ?
C34G C35G C31G 97.9(12) . . ?
C36G C35G C31G 125.0(12) . . ?
C35G C36G H36A 109.5 . . ?
C35G C36G H36B 109.5 . . ?
H36A C36G H36B 109.5 . . ?
C35G C36G H36C 109.5 . . ?
H36A C36G H36C 109.5 . . ?
H36B C36G H36C 109.5 . . ?
O2G C21G C22G 104(2) . . ?
O2G C21G C25G 151(3) . . ?
C22G C21G C25G 105(2) . . ?
C21G C22G C23G 102(2) . . ?
C21G C22G H22A 111.3 . . ?
C23G C22G H22A 111.3 . . ?
C21G C22G H22B 111.3 . . ?
C23G C22G H22B 111.3 . . ?
H22A C22G H22B 109.2 . . ?
C24G C23G C22G 107(2) . . ?
C24G C23G H23F 110.4 . . ?
C22G C23G H23F 110.4 . . ?
C24G C23G H23G 110.4 . . ?
C22G C23G H23G 110.4 . . ?
H23F C23G H23G 108.6 . . ?
C25G C24G C23G 109(3) . . ?
C25G C24G H24G 125.4 . . ?
C23G C24G H24G 125.4 . . ?
C24G C25G C21G 112(3) . . ?
C24G C25G C26G 117(3) . . ?
C21G C25G C26G 129(3) . . ?
C25G C26G H26C 109.5 . . ?
C25G C26G H26D 109.5 . . ?
H26C C26G H26D 109.5 . . ?
C25G C26G H26E 109.5 . . ?
H26C C26G H26E 109.5 . . ?
H26D C26G H26E 109.5 . . ?

_refine_diff_density_max         1.278
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.112



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ET_2muv_a
_database_code_depnum_ccdc_archive 'CCDC 2219414'
loop_
_audit_author_name
_audit_author_address
'Pavel Demakov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63 H67 Eu2 N3 O20 S6'
_chemical_formula_weight         1682.47

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9926(5)
_cell_length_b                   12.1214(4)
_cell_length_c                   13.0236(5)
_cell_angle_alpha                100.9120(10)
_cell_angle_beta                 101.8490(10)
_cell_angle_gamma                105.2900(10)
_cell_volume                     1726.83(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    16804
_cell_measurement_theta_min      1.65
_cell_measurement_theta_max      25.35

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_F_000             848
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    2.054
_shelx_estimated_absorpt_T_min   0.762
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6803
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            16712
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.65
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             6246
_reflns_number_gt                5743
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_cell_refinement       'SAINT (Bruker-AXS, 2016)'
_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0251P)²+4.9328P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6246
_refine_ls_number_parameters     524
_refine_ls_number_restraints     587
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0353
_refine_ls_wR_factor_ref         0.0784
_refine_ls_wR_factor_gt          0.0767
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.67636(2) 0.52941(2) 0.54390(2) 0.01800(7) Uani 1 1 d . . . . .
O1M O 0.8490(3) 0.6270(3) 0.4824(3) 0.0410(9) Uani 1 1 d D U . . .
C11M C 0.9239(19) 0.7238(16) 0.5132(18) 0.064(3) Uani 0.5 1 d D U P A 1
H11M H 0.905230 0.775821 0.566554 0.077 Uiso 0.5 1 calc R U P A 1
N1M N 1.0202(14) 0.7735(16) 0.4929(11) 0.068(2) Uani 0.5 1 d D U P A 1
C12M C 1.1178(14) 0.8803(16) 0.5489(14) 0.076(3) Uani 0.5 1 d D U P A 1
H12A H 1.192750 0.870764 0.535886 0.115 Uiso 0.5 1 calc R U P A 1
H12B H 1.124768 0.896396 0.627012 0.115 Uiso 0.5 1 calc R U P A 1
H12C H 1.102360 0.946617 0.522073 0.115 Uiso 0.5 1 calc R U P A 1
C13M C 1.0402(15) 0.7280(16) 0.3881(13) 0.071(3) Uani 0.5 1 d D U P A 1
H13A H 1.037564 0.785210 0.344323 0.107 Uiso 0.5 1 calc R U P A 1
H13B H 0.977565 0.652599 0.349792 0.107 Uiso 0.5 1 calc R U P A 1
H13C H 1.119001 0.715802 0.400006 0.107 Uiso 0.5 1 calc R U P A 1
C14M C 0.931(2) 0.7226(16) 0.5312(17) 0.062(3) Uani 0.5 1 d D U P A 2
C15M C 0.9627(13) 0.8375(12) 0.6208(13) 0.081(3) Uani 0.5 1 d D U P A 2
H15A H 0.894505 0.869664 0.614084 0.098 Uiso 0.5 1 calc R U P A 2
H15B H 0.981201 0.821978 0.693363 0.098 Uiso 0.5 1 calc R U P A 2
C16M C 1.0685(14) 0.9225(15) 0.6073(14) 0.093(3) Uani 0.5 1 d D U P A 2
H16A H 1.140102 0.936585 0.667648 0.112 Uiso 0.5 1 calc R U P A 2
H16B H 1.054205 0.998953 0.605321 0.112 Uiso 0.5 1 calc R U P A 2
C17M C 1.0858(15) 0.8654(17) 0.5000(13) 0.081(3) Uani 0.5 1 d D U P A 2
H17M H 1.143995 0.898234 0.465219 0.097 Uiso 0.5 1 calc R U P A 2
C18M C 1.0052(19) 0.763(2) 0.4661(15) 0.070(3) Uani 0.5 1 d D U P A 2
C19M C 1.0027(14) 0.6808(14) 0.3636(13) 0.062(3) Uani 0.5 1 d D U P A 2
H19A H 1.070094 0.716962 0.336430 0.093 Uiso 0.5 1 calc R U P A 2
H19B H 0.926992 0.665426 0.308892 0.093 Uiso 0.5 1 calc R U P A 2
H19C H 1.009192 0.606110 0.378358 0.093 Uiso 0.5 1 calc R U P A 2
O2M O 0.7404(4) 0.3746(3) 0.4523(3) 0.0482(10) Uani 1 1 d D U . . .
C21M C 0.7852(6) 0.3603(6) 0.3764(5) 0.0553(15) Uani 1 1 d D U . . .
H21M H 0.862802 0.413280 0.385718 0.066 Uiso 1 1 calc R U . . .
N2M N 0.7385(5) 0.2814(6) 0.2857(5) 0.0730(16) Uani 1 1 d D U . . .
C22M C 0.8001(8) 0.2699(8) 0.2018(6) 0.097(3) Uani 1 1 d D U . . .
H22A H 0.807918 0.190421 0.185690 0.145 Uiso 1 1 calc R U . . .
H22B H 0.880127 0.329028 0.226835 0.145 Uiso 1 1 calc R U . . .
H22C H 0.754203 0.282550 0.136085 0.145 Uiso 1 1 calc R U . . .
C23M C 0.6163(8) 0.2036(9) 0.2647(7) 0.109(3) Uani 1 1 d D U . . .
H23A H 0.576244 0.182970 0.186913 0.164 Uiso 1 1 calc R U . . .
H23B H 0.572203 0.244229 0.305678 0.164 Uiso 1 1 calc R U . . .
H23C H 0.618245 0.131401 0.287367 0.164 Uiso 1 1 calc R U . . .
O11 O 0.7434(3) 0.4181(3) 0.6717(2) 0.0320(8) Uani 1 1 d . . . . .
C11 C 0.8250(4) 0.5100(4) 0.7306(3) 0.0230(9) Uani 1 1 d . U . . .
O12 O 0.8507(3) 0.6052(3) 0.7020(2) 0.0298(7) Uani 1 1 d . U . . .
C12 C 0.8933(4) 0.5060(4) 0.8371(3) 0.0268(10) Uani 1 1 d D U . . .
C14 C 0.9734(4) 0.4399(4) 0.9817(3) 0.0281(10) Uani 1 1 d D U . . .
C13 C 0.8972(8) 0.4070(7) 0.8754(6) 0.0277(18) Uani 0.817(5) 1 d D U P B 1
H13 H 0.854086 0.327646 0.835288 0.033 Uiso 0.817(5) 1 calc R U P B 1
S11 S 1.01681(16) 0.36339(15) 1.07048(14) 0.0347(6) Uani 0.817(5) 1 d D U P B 1
S12 S 0.8684(10) 0.3726(7) 0.8642(7) 0.031(2) Uani 0.183(5) 1 d D U P B 2
C15 C 1.023(2) 0.401(3) 1.0702(16) 0.033(4) Uani 0.183(5) 1 d D U P B 2
H15 H 1.002445 0.319741 1.069747 0.040 Uiso 0.183(5) 1 calc R U P B 2
O21 O 0.4956(3) 0.3721(2) 0.5013(2) 0.0237(7) Uani 1 1 d . . . . .
C21 C 0.4169(4) 0.2703(4) 0.4644(3) 0.0232(9) Uani 1 1 d . . . . .
O22 O 0.3091(3) 0.2588(3) 0.4220(3) 0.0291(7) Uani 1 1 d . . . . .
C22 C 0.4517(4) 0.1643(4) 0.4744(3) 0.0244(9) Uani 1 1 d D . . . .
C23 C 0.5579(4) 0.1597(4) 0.5361(4) 0.0270(10) Uani 1 1 d D . . . .
H23 H 0.624704 0.227093 0.576190 0.032 Uiso 1 1 calc R U . . .
C24 C 0.5539(4) 0.0414(4) 0.5317(3) 0.0271(10) Uani 1 1 d D . . . .
S21 S 0.65225(11) -0.02537(10) 0.58853(11) 0.0326(3) Uani 1 1 d D . . . .
O31 O 0.5940(3) 0.5647(3) 0.6966(2) 0.0270(7) Uani 1 1 d . . . . .
C31 C 0.4950(4) 0.5289(4) 0.7160(3) 0.0247(9) Uani 1 1 d . U . . .
O32 O 0.3925(3) 0.4941(3) 0.6484(2) 0.0300(7) Uani 1 1 d . U . . .
C32 C 0.4960(4) 0.5229(4) 0.8296(3) 0.0259(9) Uani 1 1 d D U . . .
C34 C 0.5618(4) 0.5184(4) 1.0089(3) 0.0281(10) Uani 1 1 d D U . . .
C33 C 0.5954(6) 0.5421(8) 0.9162(4) 0.0270(14) Uani 0.889(5) 1 d D U P C 1
H33 H 0.676208 0.568017 0.912858 0.032 Uiso 0.889(5) 1 calc R U P C 1
S31 S 0.63785(14) 0.52274(14) 1.13619(11) 0.0324(5) Uani 0.889(5) 1 d D U P C 1
S32 S 0.6331(8) 0.5609(19) 0.9175(8) 0.027(3) Uani 0.111(5) 1 d D U P C 2
C35 C 0.589(6) 0.511(2) 1.1170(9) 0.038(5) Uani 0.111(5) 1 d D U P C 2
H35 H 0.670835 0.530859 1.155195 0.046 Uiso 0.111(5) 1 calc R U P C 2
O1G O 0.3043(7) 0.0429(6) 0.8472(6) 0.125(2) Uani 1 1 d D U . . .
C11G C 0.3950(9) 0.1203(8) 0.8466(9) 0.103(2) Uani 1 1 d D U . . .
C12G C 0.5134(9) 0.1554(10) 0.9325(10) 0.126(3) Uani 1 1 d D U . . .
H12D H 0.538002 0.085366 0.941862 0.152 Uiso 1 1 calc R U . . .
H12E H 0.508889 0.198846 1.003233 0.152 Uiso 1 1 calc R U . . .
C13G C 0.5992(9) 0.2354(9) 0.8854(9) 0.114(3) Uani 1 1 d D U . . .
H13D H 0.644031 0.312523 0.938677 0.137 Uiso 1 1 calc R U . . .
H13E H 0.657114 0.197470 0.862960 0.137 Uiso 1 1 calc R U . . .
C14G C 0.5174(9) 0.2506(7) 0.7894(8) 0.096(2) Uani 1 1 d D U . . .
H14G H 0.545895 0.300735 0.746179 0.115 Uiso 1 1 calc R U . . .
C15G C 0.4035(9) 0.1899(7) 0.7689(7) 0.084(2) Uani 1 1 d D U . . .
C16G C 0.2967(9) 0.1873(8) 0.6856(7) 0.103(3) Uani 1 1 d D U . . .
H16C H 0.312449 0.262415 0.664969 0.155 Uiso 1 1 calc R U . . .
H16D H 0.227102 0.175456 0.715466 0.155 Uiso 1 1 calc R U . . .
H16E H 0.280211 0.122120 0.621435 0.155 Uiso 1 1 calc R U . . .
O2G O 0.8179(18) 0.1411(14) 0.934(2) 0.075(4) Uani 0.35(3) 1 d D U P D 1
O2G' O 0.8388(11) 0.1412(8) 0.8781(14) 0.078(3) Uani 0.65(3) 1 d D U P D 2
C21G C 0.8539(7) 0.0541(6) 0.9086(7) 0.0727(18) Uani 1 1 d D U . . .
C22G C 0.7644(7) -0.0607(6) 0.9011(7) 0.077(2) Uani 1 1 d D U . . .
H22D H 0.692976 -0.079534 0.839095 0.092 Uiso 1 1 calc R U . . .
H22E H 0.738524 -0.058641 0.968652 0.092 Uiso 1 1 calc R U . . .
C23G C 0.8309(6) -0.1506(6) 0.8842(7) 0.0700(18) Uani 1 1 d D U . . .
H23D H 0.813718 -0.188277 0.805853 0.084 Uiso 1 1 calc R U . . .
H23E H 0.805492 -0.213032 0.921502 0.084 Uiso 1 1 calc R U . . .
C24G C 0.9647(6) -0.0831(6) 0.9320(6) 0.0615(16) Uani 1 1 d D U . . .
H24G H 1.016321 -0.115671 0.891534 0.074 Uiso 1 1 calc R U . . .
C25G C 0.9811(6) 0.0489(6) 0.9369(6) 0.0658(17) Uani 1 1 d . U . . .
C26G C 1.0526(8) 0.1102(7) 0.8716(7) 0.088(2) Uani 1 1 d . U . . .
H26A H 1.018384 0.068515 0.794512 0.132 Uiso 1 1 calc R U . . .
H26B H 1.135820 0.110530 0.894709 0.132 Uiso 1 1 calc R U . . .
H26C H 1.050760 0.191863 0.882465 0.132 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O21 2.360(3) . yes
Eu01 O32 2.406(3) 2_666 yes
Eu01 O2M 2.413(3) . yes
Eu01 O31 2.413(3) . yes
Eu01 O12 2.441(3) . yes
Eu01 O1M 2.465(3) . yes
Eu01 O11 2.472(3) . yes
Eu01 O22 2.473(3) 2_666 yes
Eu01 O21 2.663(3) 2_666 yes
Eu01 C11 2.793(4) . no
Eu01 C21 2.939(4) 2_666 no
Eu01 Eu01 3.9779(5) 2_666 no
O1M C11M 1.209(10) . yes
O1M C14M 1.255(12) . yes
C11M N1M 1.259(12) . yes
C11M H11M 0.9500 . ?
N1M C12M 1.440(9) . yes
N1M C13M 1.464(9) . yes
C12M H12A 0.9800 . ?
C12M H12B 0.9800 . ?
C12M H12C 0.9800 . ?
C13M H13A 0.9800 . ?
C13M H13B 0.9800 . ?
C13M H13C 0.9800 . ?
C14M C18M 1.412(18) . yes
C14M C15M 1.539(17) . yes
C15M C16M 1.474(15) . yes
C15M H15A 0.9900 . ?
C15M H15B 0.9900 . ?
C16M C17M 1.518(18) . yes
C16M H16A 0.9900 . ?
C16M H16B 0.9900 . ?
C17M C18M 1.283(17) . yes
C17M H17M 0.9500 . ?
C18M C19M 1.498(13) . yes
C19M H19A 0.9800 . ?
C19M H19B 0.9800 . ?
C19M H19C 0.9800 . ?
O2M C21M 1.224(6) . yes
C21M N2M 1.281(8) . yes
C21M H21M 0.9500 . ?
N2M C22M 1.445(7) . yes
N2M C23M 1.456(7) . yes
C22M H22A 0.9800 . ?
C22M H22B 0.9800 . ?
C22M H22C 0.9800 . ?
C23M H23A 0.9800 . ?
C23M H23B 0.9800 . ?
C23M H23C 0.9800 . ?
O11 C11 1.257(5) . yes
C11 O12 1.259(5) . yes
C11 C12 1.475(6) . yes
C12 C13 1.392(6) . yes
C12 C15 1.46(4) 2_767 yes
C12 S12 1.683(7) . yes
C12 S11 1.722(5) 2_767 yes
C14 C14 1.372(9) 2_767 yes
C14 C15 1.403(8) . yes
C14 C13 1.410(6) . yes
C14 S12 1.669(7) . yes
C14 S11 1.697(4) . yes
C13 H13 0.9500 . ?
C15 H15 0.9500 . ?
O21 C21 1.272(5) . yes
C21 O22 1.256(5) . yes
C21 C22 1.472(6) . yes
C22 C23 1.380(5) . yes
C22 S21 1.736(4) 2_656 yes
C23 C24 1.412(5) . yes
C23 H23 0.9500 . ?
C24 C24 1.386(8) 2_656 yes
C24 S21 1.723(4) . yes
O31 C31 1.247(5) . yes
C31 O32 1.266(5) . yes
C31 C32 1.493(6) . yes
C32 C35 1.37(5) 2_667 yes
C32 C33 1.396(6) . yes
C32 S32 1.689(8) . yes
C32 S31 1.733(4) 2_667 yes
C34 C34 1.386(9) 2_667 yes
C34 C35 1.404(8) . yes
C34 C33 1.404(6) . yes
C34 S32 1.683(8) . yes
C34 S31 1.704(4) . yes
C33 H33 0.9500 . ?
C35 H35 0.9500 . ?
O1G C11G 1.237(9) . yes
C11G C15G 1.438(11) . yes
C11G C12G 1.516(12) . yes
C12G C13G 1.528(12) . yes
C12G H12D 0.9900 . ?
C12G H12E 0.9900 . ?
C13G C14G 1.496(12) . yes
C13G H13D 0.9900 . ?
C13G H13E 0.9900 . ?
C14G C15G 1.312(11) . yes
C14G H14G 0.9500 . ?
C15G C16G 1.488(11) . yes
C16G H16C 0.9800 . ?
C16G H16D 0.9800 . ?
C16G H16E 0.9800 . ?
O2G C21G 1.254(13) . yes
O2G' C21G 1.239(9) . yes
C21G C22G 1.488(9) . yes
C21G C25G 1.515(10) . yes
C22G C23G 1.520(9) . yes
C22G H22D 0.9900 . ?
C22G H22E 0.9900 . ?
C23G C24G 1.529(9) . yes
C23G H23D 0.9900 . ?
C23G H23E 0.9900 . ?
C24G C25G 1.548(8) . yes
C24G C25G 1.626(10) 2_757 yes
C24G H24G 1.0000 . ?
C25G C26G 1.488(10) . yes
C26G H26A 0.9800 . ?
C26G H26B 0.9800 . ?
C26G H26C 0.9800 . ?

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 Eu01 O32 79.84(10) . 2_666 ?
O21 Eu01 O2M 81.74(12) . . ?
O32 Eu01 O2M 72.19(12) 2_666 . ?
O21 Eu01 O31 74.67(10) . . ?
O32 Eu01 O31 135.31(10) 2_666 . ?
O2M Eu01 O31 137.06(11) . . ?
O21 Eu01 O12 131.99(10) . . ?
O32 Eu01 O12 145.11(11) 2_666 . ?
O2M Eu01 O12 95.85(13) . . ?
O31 Eu01 O12 75.47(11) . . ?
O21 Eu01 O1M 146.82(11) . . ?
O32 Eu01 O1M 72.16(11) 2_666 . ?
O2M Eu01 O1M 73.12(13) . . ?
O31 Eu01 O1M 138.38(11) . . ?
O12 Eu01 O1M 73.01(11) . . ?
O21 Eu01 O11 81.80(10) . . ?
O32 Eu01 O11 139.68(11) 2_666 . ?
O2M Eu01 O11 69.84(12) . . ?
O31 Eu01 O11 71.65(11) . . ?
O12 Eu01 O11 53.36(10) . . ?
O1M Eu01 O11 108.47(12) . . ?
O21 Eu01 O22 124.63(10) . 2_666 ?
O32 Eu01 O22 90.09(11) 2_666 2_666 ?
O2M Eu01 O22 145.80(12) . 2_666 ?
O31 Eu01 O22 75.68(11) . 2_666 ?
O12 Eu01 O22 82.04(10) . 2_666 ?
O1M Eu01 O22 73.67(12) . 2_666 ?
O11 Eu01 O22 129.58(10) . 2_666 ?
O21 Eu01 O21 75.44(10) . 2_666 ?
O32 Eu01 O21 68.80(10) 2_666 2_666 ?
O2M Eu01 O21 137.47(12) . 2_666 ?
O31 Eu01 O21 69.59(9) . 2_666 ?
O12 Eu01 O21 126.04(10) . 2_666 ?
O1M Eu01 O21 109.30(11) . 2_666 ?
O11 Eu01 O21 138.92(10) . 2_666 ?
O22 Eu01 O21 50.59(9) 2_666 2_666 ?
O21 Eu01 C11 106.42(11) . . ?
O32 Eu01 C11 154.42(12) 2_666 . ?
O2M Eu01 C11 84.02(13) . . ?
O31 Eu01 C11 69.43(11) . . ?
O12 Eu01 C11 26.77(12) . . ?
O1M Eu01 C11 92.35(12) . . ?
O11 Eu01 C11 26.74(11) . . ?
O22 Eu01 C11 105.28(12) 2_666 . ?
O21 Eu01 C11 136.65(11) 2_666 . ?
O21 Eu01 C21 100.64(11) . 2_666 ?
O32 Eu01 C21 77.77(11) 2_666 2_666 ?
O2M Eu01 C21 148.99(12) . 2_666 ?
O31 Eu01 C21 71.76(11) . 2_666 ?
O12 Eu01 C21 104.59(11) . 2_666 ?
O1M Eu01 C21 90.64(12) . 2_666 ?
O11 Eu01 C21 141.17(11) . 2_666 ?
O22 Eu01 C21 24.99(11) 2_666 2_666 ?
O21 Eu01 C21 25.65(10) 2_666 2_666 ?
C11 Eu01 C21 123.75(12) . 2_666 ?
O21 Eu01 Eu01 40.39(7) . 2_666 ?
O32 Eu01 Eu01 69.71(8) 2_666 2_666 ?
O2M Eu01 Eu01 114.09(10) . 2_666 ?
O31 Eu01 Eu01 67.02(7) . 2_666 ?
O12 Eu01 Eu01 142.27(8) . 2_666 ?
O1M Eu01 Eu01 135.88(8) . 2_666 ?
O11 Eu01 Eu01 114.84(8) . 2_666 ?
O22 Eu01 Eu01 84.96(7) 2_666 2_666 ?
O21 Eu01 Eu01 35.05(6) 2_666 2_666 ?
C11 Eu01 Eu01 130.88(9) . 2_666 ?
C21 Eu01 Eu01 60.39(9) 2_666 2_666 ?
C11M O1M Eu01 134.0(10) . . ?
C14M O1M Eu01 127.4(9) . . ?
O1M C11M N1M 136(2) . . ?
O1M C11M H11M 111.8 . . ?
N1M C11M H11M 111.8 . . ?
C11M N1M C12M 132.7(15) . . ?
C11M N1M C13M 119.3(15) . . ?
C12M N1M C13M 107.6(13) . . ?
N1M C12M H12A 109.5 . . ?
N1M C12M H12B 109.5 . . ?
H12A C12M H12B 109.5 . . ?
N1M C12M H12C 109.5 . . ?
H12A C12M H12C 109.5 . . ?
H12B C12M H12C 109.5 . . ?
N1M C13M H13A 109.5 . . ?
N1M C13M H13B 109.5 . . ?
H13A C13M H13B 109.5 . . ?
N1M C13M H13C 109.5 . . ?
H13A C13M H13C 109.5 . . ?
H13B C13M H13C 109.5 . . ?
O1M C14M C18M 112.9(16) . . ?
O1M C14M C15M 143.2(18) . . ?
C18M C14M C15M 99.8(13) . . ?
C16M C15M C14M 107.2(13) . . ?
C16M C15M H15A 110.3 . . ?
C14M C15M H15A 110.3 . . ?
C16M C15M H15B 110.3 . . ?
C14M C15M H15B 110.3 . . ?
H15A C15M H15B 108.5 . . ?
C15M C16M C17M 105.4(13) . . ?
C15M C16M H16A 110.7 . . ?
C17M C16M H16A 110.7 . . ?
C15M C16M H16B 110.7 . . ?
C17M C16M H16B 110.7 . . ?
H16A C16M H16B 108.8 . . ?
C18M C17M C16M 105.5(15) . . ?
C18M C17M H17M 127.3 . . ?
C16M C17M H17M 127.3 . . ?
C17M C18M C14M 120.8(16) . . ?
C17M C18M C19M 118.8(15) . . ?
C14M C18M C19M 119.9(17) . . ?
C18M C19M H19A 109.5 . . ?
C18M C19M H19B 109.5 . . ?
H19A C19M H19B 109.5 . . ?
C18M C19M H19C 109.5 . . ?
H19A C19M H19C 109.5 . . ?
H19B C19M H19C 109.5 . . ?
C21M O2M Eu01 135.8(4) . . ?
O2M C21M N2M 126.9(7) . . ?
O2M C21M H21M 116.6 . . ?
N2M C21M H21M 116.6 . . ?
C21M N2M C22M 122.7(6) . . ?
C21M N2M C23M 118.5(6) . . ?
C22M N2M C23M 118.8(7) . . ?
N2M C22M H22A 109.5 . . ?
N2M C22M H22B 109.5 . . ?
H22A C22M H22B 109.5 . . ?
N2M C22M H22C 109.5 . . ?
H22A C22M H22C 109.5 . . ?
H22B C22M H22C 109.5 . . ?
N2M C23M H23A 109.5 . . ?
N2M C23M H23B 109.5 . . ?
H23A C23M H23B 109.5 . . ?
N2M C23M H23C 109.5 . . ?
H23A C23M H23C 109.5 . . ?
H23B C23M H23C 109.5 . . ?
C11 O11 Eu01 91.0(2) . . ?
O11 C11 O12 122.5(4) . . ?
O11 C11 C12 118.7(4) . . ?
O12 C11 C12 118.8(4) . . ?
O11 C11 Eu01 62.2(2) . . ?
O12 C11 Eu01 60.8(2) . . ?
C12 C11 Eu01 172.4(3) . . ?
C11 O12 Eu01 92.4(3) . . ?
C13 C12 C15 99.7(8) . 2_767 ?
C13 C12 C11 128.3(4) . . ?
C15 C12 C11 132.0(8) 2_767 . ?
C15 C12 S12 111.0(8) 2_767 . ?
C11 C12 S12 116.9(4) . . ?
C13 C12 S11 112.7(4) . 2_767 ?
C11 C12 S11 119.0(3) . 2_767 ?
C14 C14 C15 101.7(17) 2_767 . ?
C14 C14 C13 111.7(5) 2_767 . ?
C14 C14 S12 124.0(5) 2_767 . ?
C15 C14 S12 134.0(16) . . ?
C14 C14 S11 114.1(4) 2_767 . ?
C13 C14 S11 134.1(4) . . ?
C12 C13 C14 111.2(6) . . ?
C12 C13 H13 124.4 . . ?
C14 C13 H13 124.4 . . ?
C14 S11 C12 90.2(2) . 2_767 ?
C14 S12 C12 87.2(4) . . ?
C14 C15 C12 116(2) . 2_767 ?
C14 C15 H15 122.2 . . ?
C12 C15 H15 122.2 2_767 . ?
C21 O21 Eu01 162.3(3) . . ?
C21 O21 Eu01 89.4(2) . 2_666 ?
Eu01 O21 Eu01 104.56(10) . 2_666 ?
O22 C21 O21 121.2(4) . . ?
O22 C21 C22 119.2(4) . . ?
O21 C21 C22 119.6(4) . . ?
O22 C21 Eu01 56.3(2) . 2_666 ?
O21 C21 Eu01 65.0(2) . 2_666 ?
C22 C21 Eu01 173.0(3) . 2_666 ?
C21 O22 Eu01 98.7(3) . 2_666 ?
C23 C22 C21 127.6(4) . . ?
C23 C22 S21 113.1(3) . 2_656 ?
C21 C22 S21 119.2(3) . 2_656 ?
C22 C23 C24 110.8(4) . . ?
C22 C23 H23 124.6 . . ?
C24 C23 H23 124.6 . . ?
C24 C24 C23 113.8(4) 2_656 . ?
C24 C24 S21 111.5(4) 2_656 . ?
C23 C24 S21 134.7(3) . . ?
C24 S21 C22 90.8(2) . 2_656 ?
C31 O31 Eu01 136.6(3) . . ?
O31 C31 O32 126.7(4) . . ?
O31 C31 C32 117.3(4) . . ?
O32 C31 C32 116.0(4) . . ?
C31 O32 Eu01 134.3(3) . 2_666 ?
C35 C32 C31 135.7(15) 2_667 . ?
C33 C32 C31 127.7(4) . . ?
C35 C32 S32 108.4(15) 2_667 . ?
C31 C32 S32 115.8(4) . . ?
C33 C32 S31 111.9(4) . 2_667 ?
C31 C32 S31 120.1(3) . 2_667 ?
C34 C34 C35 96(3) 2_667 . ?
C34 C34 C33 111.9(5) 2_667 . ?
C34 C34 S32 124.5(5) 2_667 . ?
C35 C34 S32 139(3) . . ?
C34 C34 S31 113.5(4) 2_667 . ?
C33 C34 S31 134.7(4) . . ?
C32 C33 C34 112.1(5) . . ?
C32 C33 H33 124.0 . . ?
C34 C33 H33 124.0 . . ?
C34 S31 C32 90.7(2) . 2_667 ?
C34 S32 C32 87.1(5) . . ?
C32 C35 C34 124(4) 2_667 . ?
C32 C35 H35 118.1 2_667 . ?
C34 C35 H35 118.1 . . ?
O1G C11G C15G 126.2(10) . . ?
O1G C11G C12G 122.8(9) . . ?
C15G C11G C12G 111.0(8) . . ?
C11G C12G C13G 102.4(9) . . ?
C11G C12G H12D 111.3 . . ?
C13G C12G H12D 111.3 . . ?
C11G C12G H12E 111.3 . . ?
C13G C12G H12E 111.3 . . ?
H12D C12G H12E 109.2 . . ?
C14G C13G C12G 103.3(8) . . ?
C14G C13G H13D 111.1 . . ?
C12G C13G H13D 111.1 . . ?
C14G C13G H13E 111.1 . . ?
C12G C13G H13E 111.1 . . ?
H13D C13G H13E 109.1 . . ?
C15G C14G C13G 115.5(9) . . ?
C15G C14G H14G 122.2 . . ?
C13G C14G H14G 122.2 . . ?
C14G C15G C11G 106.7(9) . . ?
C14G C15G C16G 130.8(8) . . ?
C11G C15G C16G 122.5(8) . . ?
C15G C16G H16C 109.5 . . ?
C15G C16G H16D 109.5 . . ?
H16C C16G H16D 109.5 . . ?
C15G C16G H16E 109.5 . . ?
H16C C16G H16E 109.5 . . ?
H16D C16G H16E 109.5 . . ?
O2G' C21G C22G 129.8(8) . . ?
O2G C21G C22G 112.9(13) . . ?
O2G' C21G C25G 117.2(9) . . ?
O2G C21G C25G 128.2(11) . . ?
C22G C21G C25G 111.8(6) . . ?
C21G C22G C23G 104.2(6) . . ?
C21G C22G H22D 110.9 . . ?
C23G C22G H22D 110.9 . . ?
C21G C22G H22E 110.9 . . ?
C23G C22G H22E 110.9 . . ?
H22D C22G H22E 108.9 . . ?
C22G C23G C24G 106.9(5) . . ?
C22G C23G H23D 110.3 . . ?
C24G C23G H23D 110.3 . . ?
C22G C23G H23E 110.3 . . ?
C24G C23G H23E 110.3 . . ?
H23D C23G H23E 108.6 . . ?
C23G C24G C25G 107.2(5) . . ?
C23G C24G C25G 118.1(6) . 2_757 ?
C25G C24G C25G 89.9(5) . 2_757 ?
C23G C24G H24G 113.1 . . ?
C25G C24G H24G 113.1 . . ?
C25G C24G H24G 113.1 2_757 . ?
C26G C25G C21G 110.9(6) . . ?
C26G C25G C24G 120.6(7) . . ?
C21G C25G C24G 103.9(5) . . ?
C26G C25G C24G 118.9(6) . 2_757 ?
C21G C25G C24G 110.1(6) . 2_757 ?
C24G C25G C24G 90.1(5) . 2_757 ?
C25G C26G H26A 109.5 . . ?
C25G C26G H26B 109.5 . . ?
H26A C26G H26B 109.5 . . ?
C25G C26G H26C 109.5 . . ?
H26A C26G H26C 109.5 . . ?
H26B C26G H26C 109.5 . . ?

_refine_diff_density_max         1.045
_refine_diff_density_min         -0.648
_refine_diff_density_rms         0.104



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dp700-2_auto
_database_code_depnum_ccdc_archive 'CCDC 2219412'
loop_
_audit_author_name
_audit_author_address
'Pavel Demakov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C69 H69 Eu2 N O20 S6'
_chemical_formula_weight         1728.53

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0510(3)
_cell_length_b                   12.0871(4)
_cell_length_c                   12.9978(3)
_cell_angle_alpha                99.409(2)
_cell_angle_beta                 101.617(2)
_cell_angle_gamma                101.594(2)
_cell_volume                     1775.15(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    10634
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      27.15

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_F_000             872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    2.000
_shelx_estimated_absorpt_T_min   0.567
_shelx_estimated_absorpt_T_max   0.841
_exptl_absorpt_correction_T_min  0.70828
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.116a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_probe          x-ray
_diffrn_source                   'sealed X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_detector_area_resol_mean 10.6
_diffrn_reflns_number            18950
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6254
_reflns_number_gt                5653
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0501P)²+5.8768P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6254
_refine_ls_number_parameters     633
_refine_ls_number_restraints     1062
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0410
_refine_ls_wR_factor_ref         0.1042
_refine_ls_wR_factor_gt          0.1008
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.17379(2) 0.51464(2) 0.53758(2) 0.02181(10) Uani 1 1 d . . . . .
O1M O 0.3366(4) 0.5909(4) 0.4623(3) 0.0421(9) Uani 1 1 d . U . . .
C11M C 0.4179(7) 0.6688(7) 0.4664(7) 0.0388(15) Uani 0.8 1 d . U P A 1
C12M C 0.4961(9) 0.6688(8) 0.3889(9) 0.053(2) Uani 0.8 1 d . U P A 1
H12A H 0.450873 0.658628 0.314012 0.063 Uiso 0.8 1 calc R U P A 1
H12B H 0.538913 0.607197 0.393153 0.063 Uiso 0.8 1 calc R U P A 1
C13M C 0.5811(7) 0.7916(8) 0.4297(8) 0.0532(17) Uani 0.8 1 d . U P A 1
H13A H 0.663289 0.785644 0.446783 0.064 Uiso 0.8 1 calc R U P A 1
H13B H 0.571123 0.838718 0.374488 0.064 Uiso 0.8 1 calc R U P A 1
C14M C 0.5492(11) 0.8437(10) 0.5277(9) 0.055(2) Uani 0.8 1 d . U P A 1
C15M C 0.4566(7) 0.7736(7) 0.5465(7) 0.0463(16) Uani 0.8 1 d . U P A 1
H15M H 0.422102 0.791433 0.604813 0.056 Uiso 0.8 1 calc R U P A 1
C16M C 0.6179(9) 0.9601(8) 0.5921(9) 0.075(3) Uani 0.8 1 d . U P A 1
H16A H 0.584963 0.981592 0.653322 0.113 Uiso 0.8 1 calc R U P A 1
H16B H 0.614528 1.017251 0.546818 0.113 Uiso 0.8 1 calc R U P A 1
H16C H 0.699364 0.957636 0.618343 0.113 Uiso 0.8 1 calc R U P A 1
C11' C 0.412(3) 0.703(3) 0.502(3) 0.045(3) Uani 0.2 1 d D U P A 2
H11' H 0.400744 0.748078 0.564179 0.054 Uiso 0.2 1 calc R U P A 2
N11' N 0.4936(18) 0.7479(19) 0.4614(17) 0.049(2) Uani 0.2 1 d D U P A 2
C12' C 0.515(4) 0.697(3) 0.376(3) 0.050(3) Uani 0.2 1 d D U P A 2
H12C H 0.535802 0.625085 0.387234 0.074 Uiso 0.2 1 calc R U P A 2
H12D H 0.580187 0.747780 0.358852 0.074 Uiso 0.2 1 calc R U P A 2
H12E H 0.445646 0.680157 0.316321 0.074 Uiso 0.2 1 calc R U P A 2
C13' C 0.562(4) 0.848(3) 0.502(4) 0.056(3) Uani 0.2 1 d D U P A 2
H13C H 0.547571 0.878242 0.571511 0.085 Uiso 0.2 1 calc R U P A 2
H13D H 0.546975 0.900225 0.453305 0.085 Uiso 0.2 1 calc R U P A 2
H13E H 0.643040 0.842170 0.512031 0.085 Uiso 0.2 1 calc R U P A 2
O2M O 0.2313(4) 0.3519(4) 0.4464(3) 0.0427(10) Uani 1 1 d . U . . .
C21M C 0.2358(10) 0.3069(9) 0.3570(9) 0.0486(19) Uani 0.7 1 d . U P B 1
C22M C 0.3293(10) 0.3538(9) 0.2964(7) 0.0546(19) Uani 0.7 1 d . U P B 1
H22A H 0.324672 0.431338 0.283233 0.066 Uiso 0.7 1 calc R U P B 1
H22B H 0.409276 0.357633 0.337102 0.066 Uiso 0.7 1 calc R U P B 1
C23M C 0.2937(12) 0.2618(13) 0.1893(9) 0.061(2) Uani 0.7 1 d . U P B 1
H23A H 0.268610 0.296587 0.127318 0.073 Uiso 0.7 1 calc R U P B 1
H23B H 0.359609 0.227619 0.178455 0.073 Uiso 0.7 1 calc R U P B 1
C24M C 0.1991(11) 0.1765(10) 0.2013(9) 0.066(2) Uani 0.7 1 d . U P B 1
C25M C 0.1700(12) 0.2000(12) 0.2989(9) 0.065(2) Uani 0.7 1 d . U P B 1
H25M H 0.113367 0.149991 0.322358 0.078 Uiso 0.7 1 calc R U P B 1
C26M C 0.1418(13) 0.0678(12) 0.1170(11) 0.090(4) Uani 0.7 1 d . U P B 1
H26A H 0.067354 0.031398 0.130666 0.135 Uiso 0.7 1 calc R U P B 1
H26B H 0.193053 0.014332 0.119642 0.135 Uiso 0.7 1 calc R U P B 1
H26C H 0.127559 0.086882 0.045814 0.135 Uiso 0.7 1 calc R U P B 1
C21' C 0.277(2) 0.340(2) 0.3684(19) 0.053(3) Uani 0.3 1 d D U P B 2
H21' H 0.345912 0.398067 0.374825 0.064 Uiso 0.3 1 calc R U P B 2
N21' N 0.2474(14) 0.2619(13) 0.2811(12) 0.056(2) Uani 0.3 1 d D U P B 2
C22' C 0.145(2) 0.193(2) 0.256(2) 0.067(3) Uani 0.3 1 d D U P B 2
H22C H 0.150201 0.118990 0.274201 0.101 Uiso 0.3 1 calc R U P B 2
H22D H 0.111992 0.181524 0.178085 0.101 Uiso 0.3 1 calc R U P B 2
H22E H 0.094281 0.227547 0.294864 0.101 Uiso 0.3 1 calc R U P B 2
C23' C 0.319(3) 0.252(3) 0.221(2) 0.065(3) Uani 0.3 1 d D U P B 2
H23C H 0.278424 0.245106 0.145847 0.097 Uiso 0.3 1 calc R U P B 2
H23D H 0.347445 0.182212 0.227594 0.097 Uiso 0.3 1 calc R U P B 2
H23E H 0.384717 0.319769 0.242997 0.097 Uiso 0.3 1 calc R U P B 2
O11 O 0.3442(3) 0.5899(3) 0.6899(3) 0.0322(8) Uani 1 1 d . . . . .
C11 C 0.3269(4) 0.4977(5) 0.7249(4) 0.0281(11) Uani 1 1 d . . . . .
O12 O 0.2535(3) 0.4070(3) 0.6709(3) 0.0333(8) Uani 1 1 d . . . . .
C12 C 0.3944(4) 0.4986(5) 0.8338(4) 0.0294(11) Uani 1 1 d . U . . .
C14 C 0.5218(5) 0.5578(5) 1.0066(4) 0.0345(11) Uani 1 1 d . U . . .
C15 C 0.6022(16) 0.5918(17) 1.1168(19) 0.041(4) Uani 0.474(8) 1 d . U P C 1
H15 H 0.646238 0.668596 1.148744 0.049 Uiso 0.474(8) 1 calc R U P C 1
S11 S 0.4864(6) 0.6242(4) 0.9095(6) 0.0484(15) Uani 0.474(8) 1 d . U P C 1
S12 S 0.6154(4) 0.6286(3) 1.1227(4) 0.0371(11) Uani 0.526(8) 1 d . U P C 2
C13 C 0.4672(18) 0.5917(17) 0.9070(19) 0.038(3) Uani 0.526(8) 1 d . U P C 2
H13 H 0.481287 0.668549 0.895833 0.046 Uiso 0.526(8) 1 calc R U P C 2
O21 O -0.0036(3) 0.3731(3) 0.5031(3) 0.0263(7) Uani 1 1 d . . . . .
C21 C -0.0820(4) 0.2801(4) 0.4747(4) 0.0232(10) Uani 1 1 d . . . . .
O22 O -0.1869(3) 0.2780(3) 0.4415(3) 0.0319(8) Uani 1 1 d . . . . .
C22 C -0.0482(4) 0.1698(4) 0.4820(4) 0.0253(10) Uani 1 1 d . . . . .
C23 C 0.0590(5) 0.1551(4) 0.5265(4) 0.0285(11) Uani 1 1 d . . . . .
H23 H 0.127203 0.216057 0.555782 0.034 Uiso 1 1 calc R U . . .
C24 C 0.0549(4) 0.0365(4) 0.5231(4) 0.0269(10) Uani 1 1 d . . . . .
S22 S 0.15530(11) -0.04106(11) 0.56366(12) 0.0339(3) Uani 1 1 d . . . . .
O31 O 0.0999(3) 0.4934(3) 0.3481(3) 0.0293(8) Uani 1 1 d . . . . .
C31 C 0.0004(5) 0.4725(4) 0.2845(4) 0.0268(11) Uani 1 1 d . . . . .
O32 O -0.0963(3) 0.4481(3) 0.3071(3) 0.0280(8) Uani 1 1 d . . . . .
C32 C -0.0012(5) 0.4791(5) 0.1709(4) 0.0300(11) Uani 1 1 d . U . . .
C34 C -0.0588(5) 0.4981(5) -0.0049(4) 0.0367(12) Uani 1 1 d . U . . .
C33 C -0.1175(11) 0.4758(11) 0.0860(10) 0.038(2) Uani 0.857(7) 1 d . U P D 1
H33 H -0.196626 0.464027 0.090343 0.046 Uiso 0.857(7) 1 calc R U P D 1
S32 S -0.12815(16) 0.50939(18) -0.12903(15) 0.0362(6) Uani 0.857(7) 1 d . U P D
1
S31 S -0.0834(15) 0.4944(18) 0.0981(17) 0.040(3) Uani 0.143(7) 1 d . U P D 2
C35 C -0.092(5) 0.5106(19) -0.133(5) 0.039(5) Uani 0.143(7) 1 d . U P D 2
H35 H -0.167077 0.510260 -0.172852 0.046 Uiso 0.143(7) 1 calc R U P D 2
O1G O 0.4343(8) 0.0525(9) 0.1629(9) 0.152(3) Uani 1 1 d D U . . .
C11G C 0.5295(9) 0.0351(8) 0.1615(10) 0.104(3) Uani 1 1 d D U . . .
C12G C 0.5553(8) -0.0779(7) 0.1248(9) 0.087(2) Uani 1 1 d D U . . .
H1G1 H 0.543896 -0.128578 0.176309 0.105 Uiso 1 1 calc R U . . .
H1G2 H 0.504091 -0.117636 0.053217 0.105 Uiso 1 1 calc R U . . .
C13G C 0.6788(8) -0.0492(7) 0.1195(8) 0.086(2) Uani 1 1 d D U . . .
H1G3 H 0.686019 -0.071199 0.044792 0.104 Uiso 1 1 calc R U . . .
H1G4 H 0.725396 -0.089494 0.165594 0.104 Uiso 1 1 calc R U . . .
C14G C 0.7182(8) 0.0781(7) 0.1595(7) 0.078(2) Uani 1 1 d D U . . .
C15G C 0.6358(8) 0.1234(8) 0.1831(7) 0.082(2) Uani 1 1 d D U . . .
H1G5 H 0.644178 0.203203 0.210600 0.098 Uiso 1 1 calc R U . . .
C16G C 0.8413(9) 0.1374(10) 0.1742(9) 0.106(3) Uani 1 1 d D U . . .
H1G6 H 0.851547 0.220784 0.198546 0.159 Uiso 1 1 calc R U . . .
H1G7 H 0.863676 0.122422 0.105772 0.159 Uiso 1 1 calc R U . . .
H1G8 H 0.890647 0.108632 0.228082 0.159 Uiso 1 1 calc R U . . .
O2G O -0.1551(10) -0.2346(11) 0.0632(10) 0.110(3) Uani 0.664(7) 1 d D U P E 1
C21G C -0.0559(12) -0.2217(17) 0.1132(11) 0.104(3) Uani 0.664(7) 1 d D U P E 1
C22G C -0.0127(14) -0.2132(19) 0.2309(12) 0.111(3) Uani 0.664(7) 1 d D U P E 1
H2G1 H -0.028123 -0.143789 0.272064 0.133 Uiso 0.664(7) 1 calc R U P E 1
H2G2 H -0.053528 -0.282174 0.252291 0.133 Uiso 0.664(7) 1 calc R U P E 1
C23G C 0.1128(14) -0.205(2) 0.2534(12) 0.115(3) Uani 0.664(7) 1 d D U P E 1
H2G3 H 0.157521 -0.129194 0.298495 0.138 Uiso 0.664(7) 1 calc R U P E 1
H2G4 H 0.132489 -0.266832 0.290501 0.138 Uiso 0.664(7) 1 calc R U P E 1
C24G C 0.1371(13) -0.2212(17) 0.1470(13) 0.115(3) Uani 0.664(7) 1 d D U P E 1
C25G C 0.0464(14) -0.2358(16) 0.0685(13) 0.106(3) Uani 0.664(7) 1 d D U P E 1
H2G5 H 0.045284 -0.252720 -0.005783 0.128 Uiso 0.664(7) 1 calc R U P E 1
C26G C 0.2521(13) -0.2279(18) 0.1297(17) 0.128(4) Uani 0.664(7) 1 d D U P E 1
H2G6 H 0.248556 -0.240238 0.052595 0.193 Uiso 0.664(7) 1 calc R U P E 1
H2G7 H 0.275281 -0.292446 0.157876 0.193 Uiso 0.664(7) 1 calc R U P E 1
H2G8 H 0.309337 -0.155600 0.167131 0.193 Uiso 0.664(7) 1 calc R U P E 1
O3G O 0.3424(18) -0.216(2) 0.251(2) 0.128(5) Uani 0.336(7) 1 d D U P E 2
C31G C 0.250(2) -0.209(3) 0.201(2) 0.117(4) Uani 0.336(7) 1 d D U P E 2
C32G C 0.214(2) -0.169(3) 0.099(2) 0.116(4) Uani 0.336(7) 1 d D U P E 2
H3G1 H 0.265816 -0.093737 0.101467 0.139 Uiso 0.336(7) 1 calc R U P E 2
H3G2 H 0.218698 -0.225829 0.036862 0.139 Uiso 0.336(7) 1 calc R U P E 2
C33G C 0.093(2) -0.158(3) 0.089(2) 0.112(4) Uani 0.336(7) 1 d D U P E 2
H3G3 H 0.040562 -0.208146 0.021306 0.134 Uiso 0.336(7) 1 calc R U P E 2
H3G4 H 0.087793 -0.077380 0.090995 0.134 Uiso 0.336(7) 1 calc R U P E 2
C34G C 0.064(2) -0.199(3) 0.186(2) 0.110(3) Uani 0.336(7) 1 d D U P E 2
C35G C 0.154(3) -0.212(4) 0.253(3) 0.113(4) Uani 0.336(7) 1 d D U P E 2
H3G5 H 0.156383 -0.221004 0.324801 0.135 Uiso 0.336(7) 1 calc R U P E 2
C36G C -0.059(2) -0.207(4) 0.195(3) 0.110(4) Uani 0.336(7) 1 d D U P E 2
H3G6 H -0.079424 -0.262224 0.239696 0.164 Uiso 0.336(7) 1 calc R U P E 2
H3G7 H -0.112229 -0.233682 0.122982 0.164 Uiso 0.336(7) 1 calc R U P E 2
H3G8 H -0.067089 -0.130981 0.227466 0.164 Uiso 0.336(7) 1 calc R U P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O21 2.364(3) . yes
Eu1 O31 2.397(3) . yes
Eu1 O32 2.405(3) 2_566 yes
Eu1 O2M 2.423(4) . yes
Eu1 O22 2.446(3) 2_566 yes
Eu1 O11 2.447(3) . yes
Eu1 O1M 2.449(4) . yes
Eu1 O12 2.488(3) . yes
Eu1 O21 2.692(3) 2_566 yes
Eu1 C11 2.807(5) . no
Eu1 C21 2.927(5) 2_566 no
Eu1 Eu1 4.0334(5) 2_566 no
O1M C11M 1.201(9) . yes
O1M C11' 1.42(3) . yes
C11M C15M 1.429(12) . yes
C11M C12M 1.512(12) . yes
C12M C13M 1.564(12) . yes
C12M H12A 0.9900 . ?
C12M H12B 0.9900 . ?
C13M C14M 1.483(14) . yes
C13M H13A 0.9900 . ?
C13M H13B 0.9900 . ?
C14M C15M 1.349(13) . yes
C14M C16M 1.495(14) . yes
C15M H15M 0.9500 . ?
C16M H16A 0.9800 . ?
C16M H16B 0.9800 . ?
C16M H16C 0.9800 . ?
C11' N11' 1.277(17) . yes
C11' H11' 0.9500 . ?
N11' C12' 1.278(18) . yes
N11' C13' 1.278(18) . yes
C12' H12C 0.9800 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C13' H13C 0.9800 . ?
C13' H13D 0.9800 . ?
C13' H13E 0.9800 . ?
O2M C21M 1.216(11) . yes
O2M C21' 1.25(2) . yes
C21M C25M 1.377(17) . yes
C21M C22M 1.568(15) . yes
C22M C23M 1.556(15) . yes
C22M H22A 0.9900 . ?
C22M H22B 0.9900 . ?
C23M C24M 1.428(19) . yes
C23M H23A 0.9900 . ?
C23M H23B 0.9900 . ?
C24M C25M 1.384(16) . yes
C24M C26M 1.505(16) . yes
C25M H25M 0.9500 . ?
C26M H26A 0.9800 . ?
C26M H26B 0.9800 . ?
C26M H26C 0.9800 . ?
C21' N21' 1.287(17) . yes
C21' H21' 0.9500 . ?
N21' C23' 1.285(17) . yes
N21' C22' 1.287(17) . yes
C22' H22C 0.9800 . ?
C22' H22D 0.9800 . ?
C22' H22E 0.9800 . ?
C23' H23C 0.9800 . ?
C23' H23D 0.9800 . ?
C23' H23E 0.9800 . ?
O11 C11 1.266(6) . yes
C11 O12 1.258(7) . yes
C11 C12 1.481(7) . yes
C12 C15 1.36(2) 2_667 yes
C12 C13 1.36(2) . yes
C12 S11 1.703(7) . yes
C12 S12 1.714(7) 2_667 yes
C14 C14 1.360(11) 2_667 yes
C14 C13 1.49(2) . yes
C14 C15 1.50(3) . yes
C14 S11 1.635(8) . yes
C14 S12 1.669(7) . yes
C15 H15 0.9500 . ?
C13 H13 0.9500 . ?
O21 C21 1.261(6) . yes
C21 O22 1.245(6) . yes
C21 C22 1.481(7) . yes
C22 C23 1.364(7) . yes
C22 S22 1.738(5) 2_556 yes
C23 C24 1.417(7) . yes
C23 H23 0.9500 . ?
C24 C24 1.388(10) 2_556 yes
C24 S22 1.727(5) . yes
O31 C31 1.263(6) . yes
C31 O32 1.248(6) . yes
C31 C32 1.487(7) . yes
C32 S31 1.29(2) . yes
C32 C35 1.30(6) 2_565 yes
C32 C33 1.589(13) . yes
C32 S32 1.739(5) 2_565 yes
C34 C34 1.388(11) 2_565 yes
C34 S31 1.43(2) . yes
C34 C33 1.527(14) . yes
C34 C35 1.67(6) . yes
C34 S32 1.701(5) . yes
C34 S31 2.29(2) 2_565 yes
C33 H33 0.9500 . ?
S31 C35 2.08(7) 2_565 yes
C35 H35 0.9500 . ?
O1G C11G 1.210(10) . yes
C11G C15G 1.437(11) . yes
C11G C12G 1.487(10) . yes
C12G C13G 1.477(10) . yes
C12G H1G1 0.9900 . ?
C12G H1G2 0.9900 . ?
C13G C14G 1.486(9) . yes
C13G H1G3 0.9900 . ?
C13G H1G4 0.9900 . ?
C14G C15G 1.291(11) . yes
C14G C16G 1.471(10) . yes
C15G H1G5 0.9500 . ?
C16G H1G6 0.9800 . ?
C16G H1G7 0.9800 . ?
C16G H1G8 0.9800 . ?
O2G C21G 1.207(12) . yes
C21G C22G 1.492(13) . yes
C21G C25G 1.492(13) . yes
C22G C23G 1.463(13) . yes
C22G H2G1 0.9900 . ?
C22G H2G2 0.9900 . ?
C23G C24G 1.462(13) . yes
C23G H2G3 0.9900 . ?
C23G H2G4 0.9900 . ?
C24G C25G 1.296(13) . yes
C24G C26G 1.463(12) . yes
C25G H2G5 0.9500 . ?
C26G H2G6 0.9800 . ?
C26G H2G7 0.9800 . ?
C26G H2G8 0.9800 . ?
O3G C31G 1.206(13) . yes
C31G C35G 1.454(15) . yes
C31G C32G 1.490(15) . yes
C32G C33G 1.470(14) . yes
C32G H3G1 0.9900 . ?
C32G H3G2 0.9900 . ?
C33G C34G 1.509(15) . yes
C33G H3G3 0.9900 . ?
C33G H3G4 0.9900 . ?
C34G C35G 1.300(14) . yes
C34G C36G 1.495(14) . yes
C35G H3G5 0.9500 . ?
C36G H3G6 0.9800 . ?
C36G H3G7 0.9800 . ?
C36G H3G8 0.9800 . ?

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 77.96(12) . . ?
O21 Eu1 O32 73.91(12) . 2_566 ?
O31 Eu1 O32 134.77(12) . 2_566 ?
O21 Eu1 O2M 81.11(14) . . ?
O31 Eu1 O2M 72.13(13) . . ?
O32 Eu1 O2M 135.11(13) 2_566 . ?
O21 Eu1 O22 123.90(11) . 2_566 ?
O31 Eu1 O22 88.54(12) . 2_566 ?
O32 Eu1 O22 78.94(12) 2_566 2_566 ?
O2M Eu1 O22 145.05(13) . 2_566 ?
O21 Eu1 O11 134.82(11) . . ?
O31 Eu1 O11 145.75(12) . . ?
O32 Eu1 O11 74.58(12) 2_566 . ?
O2M Eu1 O11 99.74(14) . . ?
O22 Eu1 O11 79.87(12) 2_566 . ?
O21 Eu1 O1M 144.48(13) . . ?
O31 Eu1 O1M 71.95(13) . . ?
O32 Eu1 O1M 141.53(13) 2_566 . ?
O2M Eu1 O1M 72.12(14) . . ?
O22 Eu1 O1M 74.31(13) 2_566 . ?
O11 Eu1 O1M 73.90(13) . . ?
O21 Eu1 O12 86.21(12) . . ?
O31 Eu1 O12 141.06(12) . . ?
O32 Eu1 O12 71.27(12) 2_566 . ?
O2M Eu1 O12 70.39(12) . . ?
O22 Eu1 O12 129.13(12) 2_566 . ?
O11 Eu1 O12 53.21(12) . . ?
O1M Eu1 O12 105.61(14) . . ?
O21 Eu1 O21 74.36(12) . 2_566 ?
O31 Eu1 O21 68.83(11) . 2_566 ?
O32 Eu1 O21 69.88(11) 2_566 2_566 ?
O2M Eu1 O21 137.20(13) . 2_566 ?
O22 Eu1 O21 50.25(11) 2_566 2_566 ?
O11 Eu1 O21 122.45(11) . 2_566 ?
O1M Eu1 O21 110.51(12) . 2_566 ?
O12 Eu1 O21 140.01(11) . 2_566 ?
O21 Eu1 C11 109.88(14) . . ?
O31 Eu1 C11 156.24(13) . . ?
O32 Eu1 C11 68.36(13) 2_566 . ?
O2M Eu1 C11 86.66(14) . . ?
O22 Eu1 C11 103.91(14) 2_566 . ?
O11 Eu1 C11 26.79(14) . . ?
O1M Eu1 C11 91.75(14) . . ?
O12 Eu1 C11 26.63(14) . . ?
O21 Eu1 C11 134.48(12) 2_566 . ?
O21 Eu1 C21 99.60(13) . 2_566 ?
O31 Eu1 C21 77.30(12) . 2_566 ?
O32 Eu1 C21 73.41(12) 2_566 2_566 ?
O2M Eu1 C21 148.59(13) . 2_566 ?
O22 Eu1 C21 24.77(12) 2_566 2_566 ?
O11 Eu1 C21 101.47(13) . 2_566 ?
O1M Eu1 C21 91.88(14) . 2_566 ?
O12 Eu1 C21 140.96(12) . 2_566 ?
O21 Eu1 C21 25.49(12) 2_566 2_566 ?
C11 Eu1 C21 121.52(14) . 2_566 ?
O21 Eu1 Eu1 39.99(8) . 2_566 ?
O31 Eu1 Eu1 68.70(8) . 2_566 ?
O32 Eu1 Eu1 66.92(8) 2_566 2_566 ?
O2M Eu1 Eu1 113.52(11) . 2_566 ?
O22 Eu1 Eu1 84.27(8) 2_566 2_566 ?
O11 Eu1 Eu1 140.47(9) . 2_566 ?
O1M Eu1 Eu1 135.31(10) . 2_566 ?
O12 Eu1 Eu1 118.20(9) . 2_566 ?
O21 Eu1 Eu1 34.37(7) 2_566 2_566 ?
C11 Eu1 Eu1 131.83(10) . 2_566 ?
C21 Eu1 Eu1 59.69(10) 2_566 2_566 ?
C11M O1M Eu1 148.3(5) . . ?
C11' O1M Eu1 123.9(12) . . ?
O1M C11M C15M 125.1(7) . . ?
O1M C11M C12M 124.8(8) . . ?
C15M C11M C12M 110.1(7) . . ?
C11M C12M C13M 102.3(7) . . ?
C11M C12M H12A 111.3 . . ?
C13M C12M H12A 111.3 . . ?
C11M C12M H12B 111.3 . . ?
C13M C12M H12B 111.3 . . ?
H12A C12M H12B 109.2 . . ?
C14M C13M C12M 105.4(7) . . ?
C14M C13M H13A 110.7 . . ?
C12M C13M H13A 110.7 . . ?
C14M C13M H13B 110.7 . . ?
C12M C13M H13B 110.7 . . ?
H13A C13M H13B 108.8 . . ?
C15M C14M C13M 111.7(9) . . ?
C15M C14M C16M 128.2(10) . . ?
C13M C14M C16M 120.1(9) . . ?
C14M C15M C11M 110.3(8) . . ?
C14M C15M H15M 124.8 . . ?
C11M C15M H15M 124.8 . . ?
C14M C16M H16A 109.5 . . ?
C14M C16M H16B 109.5 . . ?
H16A C16M H16B 109.5 . . ?
C14M C16M H16C 109.5 . . ?
H16A C16M H16C 109.5 . . ?
H16B C16M H16C 109.5 . . ?
N11' C11' O1M 126(2) . . ?
N11' C11' H11' 117.1 . . ?
O1M C11' H11' 117.1 . . ?
C11' N11' C12' 123.1(17) . . ?
C11' N11' C13' 123.6(18) . . ?
C12' N11' C13' 113(3) . . ?
N11' C12' H12C 109.5 . . ?
N11' C12' H12D 109.5 . . ?
H12C C12' H12D 109.5 . . ?
N11' C12' H12E 109.5 . . ?
H12C C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
N11' C13' H13C 109.5 . . ?
N11' C13' H13D 109.5 . . ?
H13C C13' H13D 109.5 . . ?
N11' C13' H13E 109.5 . . ?
H13C C13' H13E 109.5 . . ?
H13D C13' H13E 109.5 . . ?
C21M O2M Eu1 140.7(6) . . ?
C21' O2M Eu1 132.0(13) . . ?
O2M C21M C25M 125.6(11) . . ?
O2M C21M C22M 125.1(9) . . ?
C25M C21M C22M 108.9(9) . . ?
C23M C22M C21M 102.3(9) . . ?
C23M C22M H22A 111.3 . . ?
C21M C22M H22A 111.3 . . ?
C23M C22M H22B 111.3 . . ?
C21M C22M H22B 111.3 . . ?
H22A C22M H22B 109.2 . . ?
C24M C23M C22M 104.7(9) . . ?
C24M C23M H23A 110.8 . . ?
C22M C23M H23A 110.8 . . ?
C24M C23M H23B 110.8 . . ?
C22M C23M H23B 110.8 . . ?
H23A C23M H23B 108.9 . . ?
C25M C24M C23M 114.1(11) . . ?
C25M C24M C26M 123.6(12) . . ?
C23M C24M C26M 122.2(11) . . ?
C21M C25M C24M 109.6(12) . . ?
C21M C25M H25M 125.2 . . ?
C24M C25M H25M 125.2 . . ?
C24M C26M H26A 109.5 . . ?
C24M C26M H26B 109.5 . . ?
H26A C26M H26B 109.5 . . ?
C24M C26M H26C 109.5 . . ?
H26A C26M H26C 109.5 . . ?
H26B C26M H26C 109.5 . . ?
O2M C21' N21' 130.7(19) . . ?
O2M C21' H21' 114.7 . . ?
N21' C21' H21' 114.7 . . ?
C23' N21' C21' 120.7(15) . . ?
C23' N21' C22' 120(2) . . ?
C21' N21' C22' 118.9(14) . . ?
N21' C22' H22C 109.5 . . ?
N21' C22' H22D 109.5 . . ?
H22C C22' H22D 109.5 . . ?
N21' C22' H22E 109.5 . . ?
H22C C22' H22E 109.5 . . ?
H22D C22' H22E 109.5 . . ?
N21' C23' H23C 109.5 . . ?
N21' C23' H23D 109.5 . . ?
H23C C23' H23D 109.5 . . ?
N21' C23' H23E 109.5 . . ?
H23C C23' H23E 109.5 . . ?
H23D C23' H23E 109.5 . . ?
C11 O11 Eu1 92.6(3) . . ?
O12 C11 O11 122.2(4) . . ?
O12 C11 C12 119.6(5) . . ?
O11 C11 C12 118.2(5) . . ?
O12 C11 Eu1 62.4(2) . . ?
O11 C11 Eu1 60.6(2) . . ?
C12 C11 Eu1 169.9(3) . . ?
C11 O12 Eu1 90.9(3) . . ?
C15 C12 C11 128.2(11) 2_667 . ?
C13 C12 C11 127.2(10) . . ?
C15 C12 S11 112.5(11) 2_667 . ?
C11 C12 S11 119.2(4) . . ?
C15 C12 S12 9.1(11) 2_667 2_667 ?
C11 C12 S12 119.1(4) . 2_667 ?
S11 C12 S12 121.5(4) . 2_667 ?
C14 C14 C13 106.9(10) 2_667 . ?
C14 C14 C15 104.0(10) 2_667 . ?
C14 C14 S11 120.5(6) 2_667 . ?
C15 C14 S11 135.5(9) . . ?
C14 C14 S12 118.3(6) 2_667 . ?
C13 C14 S12 134.8(8) . . ?
C12 C15 C14 113.0(14) 2_667 . ?
C12 C15 H15 123.5 2_667 . ?
C14 C15 H15 123.5 . . ?
C14 S11 C12 89.9(4) . . ?
C14 S12 C12 89.6(3) . 2_667 ?
C12 C13 C14 111.5(14) . . ?
C12 C13 H13 124.3 . . ?
C14 C13 H13 124.3 . . ?
C21 O21 Eu1 164.3(3) . . ?
C21 O21 Eu1 87.7(3) . 2_566 ?
Eu1 O21 Eu1 105.64(12) . 2_566 ?
O22 C21 O21 122.1(4) . . ?
O22 C21 C22 118.9(4) . . ?
O21 C21 C22 118.9(4) . . ?
O22 C21 Eu1 55.4(2) . 2_566 ?
O21 C21 Eu1 66.8(3) . 2_566 ?
C22 C21 Eu1 173.7(3) . 2_566 ?
C21 O22 Eu1 99.8(3) . 2_566 ?
C23 C22 C21 127.7(5) . . ?
C23 C22 S22 113.4(4) . 2_556 ?
C21 C22 S22 118.9(4) . 2_556 ?
C22 C23 C24 110.8(5) . . ?
C22 C23 H23 124.6 . . ?
C24 C23 H23 124.6 . . ?
C24 C24 C23 114.1(5) 2_556 . ?
C24 C24 S22 110.8(5) 2_556 . ?
C23 C24 S22 135.1(4) . . ?
C24 S22 C22 90.9(2) . 2_556 ?
C31 O31 Eu1 136.1(3) . . ?
O32 C31 O31 126.9(4) . . ?
O32 C31 C32 116.8(4) . . ?
O31 C31 C32 116.2(4) . . ?
C31 O32 Eu1 137.2(3) . 2_566 ?
S31 C32 C35 107(3) . 2_565 ?
S31 C32 C31 128.9(10) . . ?
C35 C32 C31 123(3) 2_565 . ?
C31 C32 C33 122.2(6) . . ?
C31 C32 S32 119.2(4) . 2_565 ?
C33 C32 S32 118.6(6) . 2_565 ?
C34 C34 S31 108.2(9) 2_565 . ?
C34 C34 C33 121.3(7) 2_565 . ?
C34 C34 C35 98(2) 2_565 . ?
S31 C34 C35 154(2) . . ?
C34 C34 S32 113.0(5) 2_565 . ?
C33 C34 S32 125.4(6) . . ?
C34 C34 S31 36.6(6) 2_565 2_565 ?
C33 C34 S31 157.0(10) . 2_565 ?
S32 C34 S31 76.5(6) . 2_565 ?
C34 C33 C32 95.9(7) . . ?
C34 C33 H33 132.1 . . ?
C32 C33 H33 132.1 . . ?
C34 S32 C32 90.8(3) . 2_565 ?
C32 S31 C34 116.2(14) . . ?
C32 S31 C35 36.7(18) . 2_565 ?
C34 S31 C35 80(2) . 2_565 ?
C32 S31 C34 81.3(9) . 2_565 ?
C34 S31 C34 35.3(6) . 2_565 ?
C32 C35 C34 110(4) 2_565 . ?
C32 C35 S31 36.4(18) 2_565 2_565 ?
C34 C35 S31 74(2) . 2_565 ?
C32 C35 H35 124.9 2_565 . ?
C34 C35 H35 124.9 . . ?
S31 C35 H35 160.7 2_565 . ?
O1G C11G C15G 125.1(10) . . ?
O1G C11G C12G 126.6(10) . . ?
C15G C11G C12G 107.9(8) . . ?
C13G C12G C11G 105.0(7) . . ?
C13G C12G H1G1 110.7 . . ?
C11G C12G H1G1 110.7 . . ?
C13G C12G H1G2 110.7 . . ?
C11G C12G H1G2 110.7 . . ?
H1G1 C12G H1G2 108.8 . . ?
C12G C13G C14G 104.5(7) . . ?
C12G C13G H1G3 110.9 . . ?
C14G C13G H1G3 110.9 . . ?
C12G C13G H1G4 110.9 . . ?
C14G C13G H1G4 110.9 . . ?
H1G3 C13G H1G4 108.9 . . ?
C15G C14G C16G 127.2(9) . . ?
C15G C14G C13G 112.6(8) . . ?
C16G C14G C13G 120.1(9) . . ?
C14G C15G C11G 109.9(8) . . ?
C14G C15G H1G5 125.1 . . ?
C11G C15G H1G5 125.1 . . ?
C14G C16G H1G6 109.5 . . ?
C14G C16G H1G7 109.5 . . ?
H1G6 C16G H1G7 109.5 . . ?
C14G C16G H1G8 109.5 . . ?
H1G6 C16G H1G8 109.5 . . ?
H1G7 C16G H1G8 109.5 . . ?
O2G C21G C22G 127.9(15) . . ?
O2G C21G C25G 126.9(14) . . ?
C22G C21G C25G 104.1(12) . . ?
C23G C22G C21G 108.1(11) . . ?
C23G C22G H2G1 110.1 . . ?
C21G C22G H2G1 110.1 . . ?
C23G C22G H2G2 110.1 . . ?
C21G C22G H2G2 110.1 . . ?
H2G1 C22G H2G2 108.4 . . ?
C24G C23G C22G 103.7(11) . . ?
C24G C23G H2G3 111.0 . . ?
C22G C23G H2G3 111.0 . . ?
C24G C23G H2G4 111.0 . . ?
C22G C23G H2G4 111.0 . . ?
H2G3 C23G H2G4 109.0 . . ?
C25G C24G C23G 114.3(13) . . ?
C25G C24G C26G 122.7(14) . . ?
C23G C24G C26G 122.9(14) . . ?
C24G C25G C21G 109.2(13) . . ?
C24G C25G H2G5 125.4 . . ?
C21G C25G H2G5 125.4 . . ?
C24G C26G H2G6 109.5 . . ?
C24G C26G H2G7 109.5 . . ?
H2G6 C26G H2G7 109.5 . . ?
C24G C26G H2G8 109.5 . . ?
H2G6 C26G H2G8 109.5 . . ?
H2G7 C26G H2G8 109.5 . . ?
O3G C31G C35G 119(2) . . ?
O3G C31G C32G 133(3) . . ?
C35G C31G C32G 106.6(18) . . ?
C33G C32G C31G 107.5(13) . . ?
C33G C32G H3G1 110.2 . . ?
C31G C32G H3G1 110.2 . . ?
C33G C32G H3G2 110.2 . . ?
C31G C32G H3G2 110.2 . . ?
H3G1 C32G H3G2 108.5 . . ?
C32G C33G C34G 102.2(12) . . ?
C32G C33G H3G3 111.3 . . ?
C34G C33G H3G3 111.3 . . ?
C32G C33G H3G4 111.3 . . ?
C34G C33G H3G4 111.3 . . ?
H3G3 C33G H3G4 109.2 . . ?
C35G C34G C36G 131(2) . . ?
C35G C34G C33G 113(2) . . ?
C36G C34G C33G 115.6(17) . . ?
C34G C35G C31G 109(2) . . ?
C34G C35G H3G5 125.7 . . ?
C31G C35G H3G5 125.7 . . ?
C34G C36G H3G6 109.5 . . ?
C34G C36G H3G7 109.5 . . ?
H3G6 C36G H3G7 109.5 . . ?
C34G C36G H3G8 109.5 . . ?
H3G6 C36G H3G8 109.5 . . ?
H3G7 C36G H3G8 109.5 . . ?

_refine_diff_density_max         2.456
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.131



