# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_shi_5234_miza_twin1_hklf4
_database_code_depnum_ccdc_archive 'CCDC 2314852'
loop_
_audit_author_name
_audit_author_address
'Sergiu Shova'
;Institute of Macromolecular Chemistry, Iasi
Romania
;
_audit_update_record             
;
2023-12-16 deposited with the CCDC.	2025-08-08 downloaded from the CCDC.
;
_audit_creation_date             2023-12-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H26 Eu N3 O7 Si'
_chemical_formula_sum            'C38 H26 Eu N3 O7 Si'
_chemical_formula_weight         816.67
_chemical_melting_point          ?
_chemical_oxdiff_formula         C30H30N4O8Si2Eu2
_chemical_oxdiff_usercomment     CPCS_phen_Eu
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.8257(10)
_cell_length_b                   12.6452(9)
_cell_length_c                   13.8342(15)
_cell_angle_alpha                96.921(7)
_cell_angle_beta                 91.584(9)
_cell_angle_gamma                101.544(7)
_cell_volume                     1669.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3426
_cell_measurement_temperature    200.1(2)
_cell_measurement_theta_max      25.9740
_cell_measurement_theta_min      2.0710
_shelx_estimated_absorpt_T_max   0.943
_shelx_estimated_absorpt_T_min   0.756
_exptl_absorpt_coefficient_mu    1.971
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.120a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.1139
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10391
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.078
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.1(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1593
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -46.00  11.00   1.00   85.00    --   17.71 -38.00  90.00   57
  2  ω    -48.00  34.00   1.00   85.00    --   17.71 -57.00 150.00   82
  3  ω     -5.00  35.00   1.00   85.00    --   17.71  77.00 120.00   40
  4  ω    -42.00  26.00   1.00   85.00    --   17.71 -57.00  30.00   68
  5  ω      3.00  85.00   1.00   85.00    --   17.71  57.00 -90.00   82
  6  ω     -7.00  39.00   1.00   85.00    --   17.71  77.00   0.00   46
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0473779000
_diffrn_orient_matrix_UB_12      -0.0063169000
_diffrn_orient_matrix_UB_13      -0.0369795000
_diffrn_orient_matrix_UB_21      0.0422779000
_diffrn_orient_matrix_UB_22      -0.0200472000
_diffrn_orient_matrix_UB_23      0.0328651000
_diffrn_orient_matrix_UB_31      -0.0375709000
_diffrn_orient_matrix_UB_32      -0.0537749000
_diffrn_orient_matrix_UB_33      -0.0150141000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7522
_reflns_number_total             10391
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.384
_refine_diff_density_min         -1.040
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         10391
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0123P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0623
_refine_ls_wR_factor_ref         0.0651
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.3993(6)
 0.6007(6)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C18(H18), C19(H19), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C31(H31), C32(H32),
 C36(H36), C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.37724(4) 0.35689(3) 1.00256(4) 0.02433(11) Uani 1 1 d . . . . .
Si1 Si 0.8655(2) 0.25272(17) 0.45961(16) 0.0309(6) Uani 1 1 d . . . . .
O1 O 0.3214(5) 0.2597(4) 1.1454(4) 0.0332(15) Uani 1 1 d . . . . .
O2 O 0.5048(5) 0.2254(4) 1.0724(4) 0.0367(15) Uani 1 1 d . . . . .
O3 O 0.4254(5) 0.1361(4) 1.1922(4) 0.0455(17) Uani 1 1 d . . . . .
O4 O 0.5544(5) 0.3388(4) 0.8941(3) 0.0271(14) Uani 1 1 d . . . . .
O5 O 0.6935(5) 0.5034(4) 0.8928(4) 0.0305(15) Uani 1 1 d . . . . .
O6 O 0.5768(5) 0.4728(4) 0.0898(4) 0.0322(14) Uani 1 1 d . . . . .
O7 O 0.7436(6) 0.6107(4) 0.1444(4) 0.0461(17) Uani 1 1 d . . . . .
N1 N 0.4181(7) 0.2039(5) 1.1364(5) 0.0326(19) Uani 1 1 d . . . . .
N2 N 0.1092(5) 0.2931(4) 1.0019(6) 0.0268(14) Uani 1 1 d . . . . .
N3 N 0.2775(7) 0.1612(4) 0.9220(4) 0.0271(17) Uani 1 1 d . . . . .
C1 C 0.6442(8) 0.4057(7) 0.8575(6) 0.029(2) Uani 1 1 d . . . . .
C2 C 0.6964(7) 0.3694(6) 0.7613(6) 0.022(2) Uani 1 1 d . . . . .
C3 C 0.7070(7) 0.2620(6) 0.7354(5) 0.034(2) Uani 1 1 d . . . . .
H3 H 0.678207 0.210523 0.779294 0.041 Uiso 1 1 calc R U . . .
C4 C 0.7593(8) 0.2271(6) 0.6462(6) 0.034(2) Uani 1 1 d . . . . .
H4 H 0.770837 0.154049 0.632816 0.041 Uiso 1 1 calc R U . . .
C5 C 0.7943(7) 0.2975(6) 0.5775(5) 0.0228(19) Uani 1 1 d . . . . .
C6 C 0.7776(8) 0.4034(6) 0.6026(5) 0.033(2) Uani 1 1 d . . . . .
H6 H 0.798120 0.453205 0.556219 0.040 Uiso 1 1 calc R U . . .
C7 C 0.7322(7) 0.4402(5) 0.6923(5) 0.031(2) Uani 1 1 d . . . . .
H7 H 0.725678 0.514299 0.706640 0.037 Uiso 1 1 calc R U . . .
C8 C 1.0576(8) 0.2830(6) 0.4691(5) 0.030(2) Uani 1 1 d . . . . .
C9 C 1.1309(9) 0.3355(6) 0.5549(6) 0.038(2) Uani 1 1 d . . . . .
H9 H 1.080945 0.353884 0.610114 0.045 Uiso 1 1 calc R U . . .
C10 C 1.2764(9) 0.3617(6) 0.5615(6) 0.048(3) Uani 1 1 d . . . . .
H10 H 1.323478 0.398326 0.620788 0.058 Uiso 1 1 calc R U . . .
C11 C 1.3527(10) 0.3349(7) 0.4828(7) 0.054(3) Uani 1 1 d . . . . .
H11 H 1.451450 0.352302 0.487926 0.065 Uiso 1 1 calc R U . . .
C12 C 1.2830(10) 0.2827(8) 0.3972(7) 0.060(3) Uani 1 1 d . . . . .
H12 H 1.333802 0.263283 0.342752 0.072 Uiso 1 1 calc R U . . .
C13 C 1.1400(9) 0.2587(6) 0.3902(6) 0.045(2) Uani 1 1 d . . . . .
H13 H 1.094354 0.224147 0.329855 0.054 Uiso 1 1 calc R U . . .
C14 C 0.8078(8) 0.3320(6) 0.3636(5) 0.026(2) Uani 1 1 d . . . . .
C15 C 0.6688(8) 0.3241(6) 0.3388(6) 0.037(2) Uani 1 1 d . . . . .
H15 H 0.601160 0.277160 0.370226 0.044 Uiso 1 1 calc R U . . .
C16 C 0.6244(8) 0.3826(6) 0.2692(5) 0.032(2) Uani 1 1 d . . . . .
H16 H 0.528127 0.373717 0.252091 0.038 Uiso 1 1 calc R U . . .
C17 C 0.7210(8) 0.4531(6) 0.2256(6) 0.026(2) Uani 1 1 d . . . . .
C18 C 0.8588(8) 0.4655(6) 0.2511(5) 0.034(2) Uani 1 1 d . . . . .
H18 H 0.925227 0.516318 0.222603 0.041 Uiso 1 1 calc R U . . .
C19 C 0.9040(8) 0.4040(6) 0.3190(5) 0.0308(19) Uani 1 1 d . . . . .
H19 H 1.000648 0.411765 0.334351 0.037 Uiso 1 1 calc R U . . .
C20 C 0.6774(9) 0.5153(7) 0.1487(6) 0.029(2) Uani 1 1 d . . . . .
C21 C 0.7933(10) 0.1049(6) 0.4246(5) 0.034(2) Uani 1 1 d . . . . .
C22 C 0.6531(11) 0.0640(7) 0.4145(7) 0.061(3) Uani 1 1 d . . . . .
H22 H 0.591481 0.112239 0.428412 0.073 Uiso 1 1 calc R U . . .
C23 C 0.5969(12) -0.0461(9) 0.3843(7) 0.078(3) Uani 1 1 d . . . . .
H23 H 0.499184 -0.073147 0.380182 0.093 Uiso 1 1 calc R U . . .
C24 C 0.6893(16) -0.1149(9) 0.3605(8) 0.094(5) Uani 1 1 d . . . . .
H24 H 0.652965 -0.189018 0.336066 0.113 Uiso 1 1 calc R U . . .
C25 C 0.8293(14) -0.0792(9) 0.3713(8) 0.089(4) Uani 1 1 d . . . . .
H25 H 0.890526 -0.127842 0.357468 0.107 Uiso 1 1 calc R U . . .
C26 C 0.8808(10) 0.0304(8) 0.4031(6) 0.063(3) Uani 1 1 d . . . . .
H26 H 0.978660 0.056062 0.410528 0.076 Uiso 1 1 calc R U . . .
C27 C 0.0238(8) 0.3566(6) 1.0355(5) 0.037(2) Uani 1 1 d . . . . .
H27 H 0.064189 0.425926 1.069842 0.044 Uiso 1 1 calc R U . . .
C28 C -0.1198(9) 0.3287(6) 1.0239(6) 0.045(3) Uani 1 1 d . . . . .
H28 H -0.174483 0.379336 1.047464 0.053 Uiso 1 1 calc R U . . .
C29 C -0.1814(8) 0.2298(7) 0.9792(6) 0.045(3) Uani 1 1 d . . . . .
H29 H -0.279937 0.208221 0.972807 0.054 Uiso 1 1 calc R U . . .
C30 C -0.0967(9) 0.1594(6) 0.9423(5) 0.031(2) Uani 1 1 d . . . . .
C31 C -0.1539(9) 0.0503(7) 0.8926(6) 0.048(3) Uani 1 1 d . . . . .
H31 H -0.251986 0.026673 0.883224 0.058 Uiso 1 1 calc R U . . .
C32 C -0.0705(11) -0.0183(7) 0.8594(6) 0.046(3) Uani 1 1 d . . . . .
H32 H -0.110877 -0.089591 0.829075 0.055 Uiso 1 1 calc R U . . .
C33 C 0.0752(9) 0.0153(6) 0.8695(6) 0.033(2) Uani 1 1 d . . . . .
C34 C 0.1373(9) 0.1229(6) 0.9140(5) 0.028(2) Uani 1 1 d . . . . .
C35 C 0.0475(8) 0.1955(6) 0.9542(5) 0.028(2) Uani 1 1 d . . . . .
C36 C 0.1676(10) -0.0514(7) 0.8389(6) 0.045(2) Uani 1 1 d . . . . .
H36 H 0.132444 -0.124500 0.810777 0.054 Uiso 1 1 calc R U . . .
C37 C 0.3064(9) -0.0126(7) 0.8490(6) 0.045(3) Uani 1 1 d . . . . .
H37 H 0.368736 -0.058114 0.827787 0.054 Uiso 1 1 calc R U . . .
C38 C 0.3575(9) 0.0935(7) 0.8902(6) 0.038(2) Uani 1 1 d . . . . .
H38 H 0.455435 0.119159 0.896012 0.045 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 Eu1 3.9371(8) 2_667 ?
Eu1 O1 2.468(5) . ?
Eu1 O2 2.534(5) . ?
Eu1 O4 2.357(5) . ?
Eu1 O5 2.373(5) 2_667 ?
Eu1 O6 2.603(5) 2_666 ?
Eu1 O6 2.397(6) 1_556 ?
Eu1 O7 2.444(5) 2_666 ?
Eu1 N1 2.909(7) . ?
Eu1 N2 2.595(5) . ?
Eu1 N3 2.575(6) . ?
Eu1 C20 2.894(8) 2_666 ?
Si1 C5 1.863(7) . ?
Si1 C8 1.847(8) . ?
Si1 C14 1.898(7) . ?
Si1 C21 1.861(8) . ?
O1 N1 1.292(7) . ?
O2 N1 1.261(7) . ?
O3 N1 1.232(7) . ?
O4 C1 1.257(8) . ?
O5 C1 1.265(8) . ?
O6 C20 1.251(9) . ?
O7 C20 1.259(8) . ?
N2 C27 1.328(7) . ?
N2 C35 1.345(8) . ?
N3 C34 1.362(9) . ?
N3 C38 1.320(8) . ?
C1 C2 1.494(10) . ?
C2 C3 1.388(9) . ?
C2 C7 1.391(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.407(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.382(9) . ?
C5 C6 1.386(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.389(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.392(10) . ?
C8 C13 1.417(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.399(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.376(11) . ?
C12 H12 0.9500 . ?
C12 C13 1.375(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(9) . ?
C14 C19 1.388(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.394(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.372(9) . ?
C17 C18 1.363(9) . ?
C17 C20 1.499(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.404(9) . ?
C19 H19 0.9500 . ?
C21 C22 1.369(10) . ?
C21 C26 1.409(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.398(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.398(13) . ?
C24 H24 0.9500 . ?
C24 C25 1.358(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(11) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.384(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.343(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.399(9) . ?
C30 C31 1.460(10) . ?
C30 C35 1.397(9) . ?
C31 H31 0.9500 . ?
C31 C32 1.358(10) . ?
C32 H32 0.9500 . ?
C32 C33 1.408(10) . ?
C33 C34 1.431(10) . ?
C33 C36 1.399(10) . ?
C34 C35 1.469(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.352(10) . ?
C37 H37 0.9500 . ?
C37 C38 1.381(9) . ?
C38 H38 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
O1 Eu1 Eu1 127.58(13) . 2_667 ?
O1 Eu1 O2 51.71(16) . . ?
O1 Eu1 O6 154.87(15) . 2_666 ?
O1 Eu1 N1 26.19(16) . . ?
O1 Eu1 N2 71.65(19) . . ?
O1 Eu1 N3 77.96(19) . . ?
O1 Eu1 C20 155.1(2) . 2_666 ?
O2 Eu1 Eu1 111.55(12) . 2_667 ?
O2 Eu1 O6 140.80(17) . 2_666 ?
O2 Eu1 N1 25.62(15) . . ?
O2 Eu1 N2 112.16(17) . . ?
O2 Eu1 N3 69.99(18) . . ?
O2 Eu1 C20 152.14(19) . 2_666 ?
O4 Eu1 Eu1 70.58(11) . 2_667 ?
O4 Eu1 O1 127.28(16) . . ?
O4 Eu1 O2 75.67(16) . . ?
O4 Eu1 O5 138.26(16) . 2_667 ?
O4 Eu1 O6 71.79(15) . 2_666 ?
O4 Eu1 O6 78.07(17) . 1_556 ?
O4 Eu1 O7 82.41(17) . 2_666 ?
O4 Eu1 N1 101.09(18) . . ?
O4 Eu1 N2 137.1(2) . . ?
O4 Eu1 N3 81.63(19) . . ?
O4 Eu1 C20 76.75(19) . 2_666 ?
O5 Eu1 Eu1 67.67(12) 2_667 2_667 ?
O5 Eu1 O1 80.68(16) 2_667 . ?
O5 Eu1 O2 120.26(17) 2_667 . ?
O5 Eu1 O6 70.31(17) 2_667 1_556 ?
O5 Eu1 O6 74.68(16) 2_667 2_666 ?
O5 Eu1 O7 95.42(18) 2_667 2_666 ?
O5 Eu1 N1 102.23(19) 2_667 . ?
O5 Eu1 N2 76.29(19) 2_667 . ?
O5 Eu1 N3 139.04(19) 2_667 . ?
O5 Eu1 C20 83.68(19) 2_667 2_666 ?
O6 Eu1 Eu1 39.95(11) 1_556 2_667 ?
O6 Eu1 Eu1 36.24(12) 2_666 2_667 ?
O6 Eu1 O1 91.06(17) 1_556 . ?
O6 Eu1 O2 76.21(16) 1_556 . ?
O6 Eu1 O6 76.19(18) 1_556 2_666 ?
O6 Eu1 O7 127.23(18) 1_556 2_666 ?
O6 Eu1 N1 160.39(17) 2_666 . ?
O6 Eu1 N1 84.51(17) 1_556 . ?
O6 Eu1 N2 144.5(2) 1_556 . ?
O6 Eu1 N3 143.90(18) 1_556 . ?
O6 Eu1 C20 25.62(19) 2_666 2_666 ?
O6 Eu1 C20 101.8(2) 1_556 2_666 ?
O7 Eu1 Eu1 87.33(13) 2_666 2_667 ?
O7 Eu1 O1 137.98(19) 2_666 . ?
O7 Eu1 O2 143.59(18) 2_666 . ?
O7 Eu1 O6 51.13(17) 2_666 2_666 ?
O7 Eu1 N1 147.67(19) 2_666 . ?
O7 Eu1 N2 66.8(2) 2_666 . ?
O7 Eu1 N3 78.41(19) 2_666 . ?
O7 Eu1 C20 25.55(19) 2_666 2_666 ?
N1 Eu1 Eu1 124.38(13) . 2_667 ?
N2 Eu1 Eu1 133.11(11) . 2_667 ?
N2 Eu1 O6 106.51(17) . 2_666 ?
N2 Eu1 N1 91.2(2) . . ?
N2 Eu1 C20 85.9(2) . 2_666 ?
N3 Eu1 Eu1 150.23(14) . 2_667 ?
N3 Eu1 O6 124.67(17) . 2_666 ?
N3 Eu1 N1 70.47(18) . . ?
N3 Eu1 N2 63.97(19) . . ?
N3 Eu1 C20 102.2(2) . 2_666 ?
C20 Eu1 Eu1 61.9(2) 2_666 2_667 ?
C20 Eu1 N1 172.6(2) 2_666 . ?
C5 Si1 C14 108.2(3) . . ?
C8 Si1 C5 110.7(3) . . ?
C8 Si1 C14 107.9(3) . . ?
C8 Si1 C21 111.8(4) . . ?
C21 Si1 C5 108.7(3) . . ?
C21 Si1 C14 109.4(4) . . ?
N1 O1 Eu1 96.3(4) . . ?
N1 O2 Eu1 94.0(4) . . ?
C1 O4 Eu1 133.7(5) . . ?
C1 O5 Eu1 137.8(5) . 2_667 ?
Eu1 O6 Eu1 103.81(18) 1_554 2_666 ?
C20 O6 Eu1 90.3(5) . 2_666 ?
C20 O6 Eu1 165.9(6) . 1_554 ?
C20 O7 Eu1 97.6(5) . 2_666 ?
O1 N1 Eu1 57.5(3) . . ?
O2 N1 Eu1 60.3(4) . . ?
O2 N1 O1 117.5(6) . . ?
O3 N1 Eu1 175.5(5) . . ?
O3 N1 O1 119.4(7) . . ?
O3 N1 O2 123.0(7) . . ?
C27 N2 Eu1 123.9(5) . . ?
C27 N2 C35 115.6(6) . . ?
C35 N2 Eu1 119.8(5) . . ?
C34 N3 Eu1 119.9(5) . . ?
C38 N3 Eu1 122.5(5) . . ?
C38 N3 C34 117.5(7) . . ?
O4 C1 O5 126.5(8) . . ?
O4 C1 C2 117.9(7) . . ?
O5 C1 C2 115.6(8) . . ?
C3 C2 C1 121.2(7) . . ?
C3 C2 C7 116.9(7) . . ?
C7 C2 C1 121.9(7) . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.9(7) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.1(7) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 Si1 121.5(6) . . ?
C4 C5 C6 116.4(7) . . ?
C6 C5 Si1 122.1(5) . . ?
C5 C6 H6 118.5 . . ?
C5 C6 C7 123.1(7) . . ?
C7 C6 H6 118.5 . . ?
C2 C7 H7 119.7 . . ?
C6 C7 C2 120.6(7) . . ?
C6 C7 H7 119.7 . . ?
C9 C8 Si1 121.2(6) . . ?
C9 C8 C13 115.6(8) . . ?
C13 C8 Si1 123.1(6) . . ?
C8 C9 H9 119.3 . . ?
C8 C9 C10 121.5(8) . . ?
C10 C9 H9 119.3 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.9(8) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 118.9(9) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.2(8) . . ?
C13 C12 H12 119.9 . . ?
C8 C13 H13 118.5 . . ?
C12 C13 C8 123.0(8) . . ?
C12 C13 H13 118.5 . . ?
C15 C14 Si1 121.3(6) . . ?
C15 C14 C19 117.7(7) . . ?
C19 C14 Si1 121.0(6) . . ?
C14 C15 H15 118.9 . . ?
C14 C15 C16 122.1(7) . . ?
C16 C15 H15 118.9 . . ?
C15 C16 H16 120.3 . . ?
C17 C16 C15 119.4(7) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 C20 120.9(8) . . ?
C18 C17 C16 119.7(7) . . ?
C18 C17 C20 119.4(8) . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 121.0(7) . . ?
C19 C18 H18 119.5 . . ?
C14 C19 C18 120.1(7) . . ?
C14 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
O6 C20 Eu1 64.1(4) . 2_666 ?
O6 C20 O7 120.8(8) . . ?
O6 C20 C17 120.3(8) . . ?
O7 C20 Eu1 56.9(4) . 2_666 ?
O7 C20 C17 118.9(8) . . ?
C17 C20 Eu1 174.2(6) . 2_666 ?
C22 C21 Si1 121.8(7) . . ?
C22 C21 C26 116.7(8) . . ?
C26 C21 Si1 121.4(7) . . ?
C21 C22 H22 118.7 . . ?
C21 C22 C23 122.6(9) . . ?
C23 C22 H22 118.7 . . ?
C22 C23 H23 121.1 . . ?
C22 C23 C24 117.7(11) . . ?
C24 C23 H23 121.1 . . ?
C23 C24 H24 119.0 . . ?
C25 C24 C23 122.0(12) . . ?
C25 C24 H24 119.0 . . ?
C24 C25 H25 120.9 . . ?
C24 C25 C26 118.2(12) . . ?
C26 C25 H25 120.9 . . ?
C21 C26 H26 118.7 . . ?
C25 C26 C21 122.5(10) . . ?
C25 C26 H26 118.7 . . ?
N2 C27 H27 117.7 . . ?
N2 C27 C28 124.6(7) . . ?
C28 C27 H27 117.7 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.7(7) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 120.9 . . ?
C28 C29 C30 118.2(8) . . ?
C30 C29 H29 120.9 . . ?
C29 C30 C31 122.2(8) . . ?
C35 C30 C29 118.3(7) . . ?
C35 C30 C31 119.4(7) . . ?
C30 C31 H31 119.2 . . ?
C32 C31 C30 121.6(8) . . ?
C32 C31 H31 119.2 . . ?
C31 C32 H32 119.7 . . ?
C31 C32 C33 120.6(9) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C34 120.3(7) . . ?
C36 C33 C32 123.8(9) . . ?
C36 C33 C34 116.0(8) . . ?
N3 C34 C33 122.7(7) . . ?
N3 C34 C35 118.1(7) . . ?
C33 C34 C35 119.2(8) . . ?
N2 C35 C30 123.5(7) . . ?
N2 C35 C34 117.8(7) . . ?
C30 C35 C34 118.7(8) . . ?
C33 C36 H36 119.8 . . ?
C37 C36 C33 120.4(8) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 120.1 . . ?
C36 C37 C38 119.8(8) . . ?
C38 C37 H37 120.1 . . ?
N3 C38 C37 123.5(8) . . ?
N3 C38 H38 118.2 . . ?
C37 C38 H38 118.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 N1 O2 6.8(7) . . . . ?
Eu1 O1 N1 O3 -176.1(6) . . . . ?
Eu1 O2 N1 O1 -6.6(7) . . . . ?
Eu1 O2 N1 O3 176.4(6) . . . . ?
Eu1 O4 C1 O5 24.7(12) . . . . ?
Eu1 O4 C1 C2 -153.2(5) . . . . ?
Eu1 O5 C1 O4 -26.3(12) 2_667 . . . ?
Eu1 O5 C1 C2 151.7(5) 2_667 . . . ?
Eu1 O6 C20 Eu1 -176(2) 1_554 . . 2_666 ?
Eu1 O6 C20 O7 4.2(8) 2_666 . . . ?
Eu1 O6 C20 O7 -172.2(16) 1_554 . . . ?
Eu1 O6 C20 C17 8(3) 1_554 . . . ?
Eu1 O6 C20 C17 -175.7(6) 2_666 . . . ?
Eu1 O7 C20 O6 -4.5(8) 2_666 . . . ?
Eu1 O7 C20 C17 175.4(6) 2_666 . . . ?
Eu1 N2 C27 C28 170.9(6) . . . . ?
Eu1 N2 C35 C30 -173.6(5) . . . . ?
Eu1 N2 C35 C34 7.3(9) . . . . ?
Eu1 N3 C34 C33 179.6(5) . . . . ?
Eu1 N3 C34 C35 -1.2(8) . . . . ?
Eu1 N3 C38 C37 178.3(6) . . . . ?
Si1 C5 C6 C7 -176.2(6) . . . . ?
Si1 C8 C9 C10 -178.0(5) . . . . ?
Si1 C8 C13 C12 179.0(6) . . . . ?
Si1 C14 C15 C16 179.3(5) . . . . ?
Si1 C14 C19 C18 -177.3(5) . . . . ?
Si1 C21 C22 C23 177.3(7) . . . . ?
Si1 C21 C26 C25 -176.1(7) . . . . ?
O4 C1 C2 C3 -32.4(11) . . . . ?
O4 C1 C2 C7 145.5(7) . . . . ?
O5 C1 C2 C3 149.5(7) . . . . ?
O5 C1 C2 C7 -32.6(10) . . . . ?
N2 C27 C28 C29 2.6(12) . . . . ?
N3 C34 C35 N2 -4.0(10) . . . . ?
N3 C34 C35 C30 176.8(6) . . . . ?
C1 C2 C3 C4 -178.3(7) . . . . ?
C1 C2 C7 C6 -178.6(7) . . . . ?
C2 C3 C4 C5 -4.1(12) . . . . ?
C3 C2 C7 C6 -0.6(11) . . . . ?
C3 C4 C5 Si1 179.3(6) . . . . ?
C3 C4 C5 C6 1.3(11) . . . . ?
C4 C5 C6 C7 1.8(11) . . . . ?
C5 Si1 C8 C9 -1.8(7) . . . . ?
C5 Si1 C8 C13 -179.5(6) . . . . ?
C5 Si1 C14 C15 -61.5(7) . . . . ?
C5 Si1 C14 C19 115.6(6) . . . . ?
C5 Si1 C21 C22 56.8(8) . . . . ?
C5 Si1 C21 C26 -126.1(6) . . . . ?
C5 C6 C7 C2 -2.2(12) . . . . ?
C7 C2 C3 C4 3.7(11) . . . . ?
C8 Si1 C5 C4 -93.0(7) . . . . ?
C8 Si1 C5 C6 84.9(6) . . . . ?
C8 Si1 C14 C15 178.7(6) . . . . ?
C8 Si1 C14 C19 -4.3(7) . . . . ?
C8 Si1 C21 C22 179.3(7) . . . . ?
C8 Si1 C21 C26 -3.6(8) . . . . ?
C8 C9 C10 C11 -0.8(11) . . . . ?
C9 C8 C13 C12 1.2(11) . . . . ?
C9 C10 C11 C12 0.6(12) . . . . ?
C10 C11 C12 C13 0.5(13) . . . . ?
C11 C12 C13 C8 -1.5(13) . . . . ?
C13 C8 C9 C10 -0.1(10) . . . . ?
C14 Si1 C5 C4 148.8(6) . . . . ?
C14 Si1 C5 C6 -33.3(7) . . . . ?
C14 Si1 C8 C9 116.5(6) . . . . ?
C14 Si1 C8 C13 -61.2(7) . . . . ?
C14 Si1 C21 C22 -61.2(8) . . . . ?
C14 Si1 C21 C26 115.9(7) . . . . ?
C14 C15 C16 C17 -2.0(11) . . . . ?
C15 C14 C19 C18 -0.1(11) . . . . ?
C15 C16 C17 C18 -0.3(11) . . . . ?
C15 C16 C17 C20 178.5(7) . . . . ?
C16 C17 C18 C19 2.3(11) . . . . ?
C16 C17 C20 O6 -35.2(11) . . . . ?
C16 C17 C20 O7 144.8(8) . . . . ?
C17 C18 C19 C14 -2.1(11) . . . . ?
C18 C17 C20 O6 143.5(8) . . . . ?
C18 C17 C20 O7 -36.4(11) . . . . ?
C19 C14 C15 C16 2.2(11) . . . . ?
C20 C17 C18 C19 -176.5(7) . . . . ?
C21 Si1 C5 C4 30.1(8) . . . . ?
C21 Si1 C5 C6 -152.0(6) . . . . ?
C21 Si1 C8 C9 -123.1(6) . . . . ?
C21 Si1 C8 C13 59.2(7) . . . . ?
C21 Si1 C14 C15 56.8(7) . . . . ?
C21 Si1 C14 C19 -126.2(6) . . . . ?
C21 C22 C23 C24 -2.4(15) . . . . ?
C22 C21 C26 C25 1.1(13) . . . . ?
C22 C23 C24 C25 3.9(17) . . . . ?
C23 C24 C25 C26 -2.8(18) . . . . ?
C24 C25 C26 C21 0.2(16) . . . . ?
C26 C21 C22 C23 0.1(14) . . . . ?
C27 N2 C35 C30 -2.0(11) . . . . ?
C27 N2 C35 C34 178.9(6) . . . . ?
C27 C28 C29 C30 -2.4(12) . . . . ?
C28 C29 C30 C31 180.0(7) . . . . ?
C28 C29 C30 C35 0.2(11) . . . . ?
C29 C30 C31 C32 -178.2(8) . . . . ?
C29 C30 C35 N2 2.1(11) . . . . ?
C29 C30 C35 C34 -178.8(6) . . . . ?
C30 C31 C32 C33 -1.9(13) . . . . ?
C31 C30 C35 N2 -177.7(7) . . . . ?
C31 C30 C35 C34 1.4(11) . . . . ?
C31 C32 C33 C34 -0.7(13) . . . . ?
C31 C32 C33 C36 178.7(8) . . . . ?
C32 C33 C34 N3 -177.2(7) . . . . ?
C32 C33 C34 C35 3.6(12) . . . . ?
C32 C33 C36 C37 178.4(8) . . . . ?
C33 C34 C35 N2 175.2(7) . . . . ?
C33 C34 C35 C30 -3.9(10) . . . . ?
C33 C36 C37 C38 0.3(13) . . . . ?
C34 N3 C38 C37 0.6(11) . . . . ?
C34 C33 C36 C37 -2.1(12) . . . . ?
C35 N2 C27 C28 -0.4(11) . . . . ?
C35 C30 C31 C32 1.5(12) . . . . ?
C36 C33 C34 N3 3.3(11) . . . . ?
C36 C33 C34 C35 -175.9(7) . . . . ?
C36 C37 C38 N3 0.6(13) . . . . ?
C38 N3 C34 C33 -2.6(11) . . . . ?
C38 N3 C34 C35 176.6(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.188
_oxdiff_exptl_absorpt_empirical_full_min 0.887
_oxdiff_twin_integration_method  simultaneous
_oxdiff_twin_items               2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.3993(6) 3428 10487 ref 1.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000
0.0000 1.0000
2 0.6007(6) 3450 10487 nmt -1.0004 -0.0000 -0.0003 -0.0002 -0.9996 0.0009
0.1523 0.2880 0.9997

_twin_special_details            
;
Component 2 rotated by -179.9839° 
around [0.00 0.00 1.00] (reciprocal) or [0.08 0.14 0.99] (direct)
;
####################################################################### 
# 
# 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_shs_385_miza_autored_tw
_database_code_depnum_ccdc_archive 'CCDC 2314853'
loop_
_audit_author_name
_audit_author_address
'Sergiu Shova'
;Institute of Macromolecular Chemistry, Iasi
Romania
;
_audit_update_record             
;
2023-12-16 deposited with the CCDC.	2025-08-08 downloaded from the CCDC.
;
_audit_creation_date             2023-12-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H26 N3 O7 Si Sm'
_chemical_formula_sum            'C38 H26 N3 O7 Si Sm'
_chemical_formula_weight         815.06
_chemical_melting_point          ?
_chemical_oxdiff_formula         C30H30N4O12Sm2
_chemical_oxdiff_usercomment     DPCS_Sm
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -5.3236 12.2178 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.8085(3)
_cell_length_b                   12.5707(3)
_cell_length_c                   13.8397(4)
_cell_angle_alpha                97.137(2)
_cell_angle_beta                 91.692(2)
_cell_angle_gamma                101.203(2)
_cell_volume                     1658.43(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11663
_cell_measurement_temperature    156(70)
_cell_measurement_theta_max      76.3870
_cell_measurement_theta_min      3.2220
_shelx_estimated_absorpt_T_max   0.539
_shelx_estimated_absorpt_T_min   0.333
_exptl_absorpt_coefficient_mu    14.116
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.02286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.94a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             814
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0676
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            5786
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        66.597
_diffrn_reflns_theta_max         66.597
_diffrn_reflns_theta_min         3.223
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      156(70)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -104.00 -31.00   0.50    8.00    --  -47.88 -76.00-154.00  146
  2  ω    -31.00  19.00   0.50    8.00    --  -47.88  76.00 -28.00  100
  3  ω     40.00  97.00   0.50    8.00    --   47.88  76.00 -28.00  114
  4  ω    -23.00  64.00   0.50    8.00    --   47.88 -76.00-154.00  174
  5  ω    -86.00 -41.00   0.50   15.00    --  -91.75  76.00 -28.00   90
  6  ω   -159.00 -69.00   0.50   15.00    --  -91.75 -76.00-154.00  180
  7  ω     84.00 174.00   0.50   15.00    --  106.56  76.00 -28.00  180
  8  ω     54.00 100.00   0.50   15.00    --  106.56 -76.00-154.00   92
  9  ω     -6.00  23.00   0.50    8.00    --  -47.88  38.00   0.00   58
 10  ω    -25.00  25.00   0.50    8.00    --  -47.88  19.00 -30.00  100
 11  ω     34.00  93.00   0.50    8.00    --   47.88-125.00-180.00  118
 12  ω   -149.00-108.00   0.50   15.00    --  -91.75 -45.00-120.00   82
 13  ω   -161.00 -89.00   0.50   15.00    --  -91.75 -45.00 -90.00  144
 14  ω    -51.00 -20.00   0.50   15.00    --  -91.75  45.00   0.00   62
 15  ω    -50.00 -21.00   0.50   15.00    --  -91.75  45.00-180.00   58
 16  ω    -48.00 -21.00   0.50   15.00    --  -91.75  45.00  60.00   54
 17  ω   -104.00 -79.00   0.50   15.00    --  -91.75 -45.00-120.00   50
 18  ω    -46.00 -21.00   0.50   15.00    --  -91.75  45.00 120.00   50
 19  ω    -70.00 -22.00   0.50   15.00    --  -91.75  61.00 -30.00   96
 20  ω    -54.00 -28.00   0.50   15.00    --  -91.75  61.00-180.00   52
 21  ω     96.00 123.00   0.50   15.00    --  106.56 125.00 -90.00   54
 22  ω     79.00 104.00   0.50   15.00    --  106.56 -95.00 -60.00   50
 23  ω     43.00  68.00   0.50   15.00    --  106.56 -61.00  90.00   50
 24  ω     70.00 110.00   0.50   15.00    --  106.56-125.00  60.00   80
 25  ω     49.00 109.00   0.50   15.00    --  106.56-112.00 174.66  120
 26  ω     97.00 178.00   0.50   15.00    --  106.56  45.00  90.00  162
 27  ω     42.00 111.00   0.50   15.00    --  106.56-125.00  90.00  138
 28  ω     81.00 111.00   0.50   15.00    --  106.56-125.00 -30.00   60
 29  ω     53.00 100.00   0.50   15.00    --  106.56 -95.00-150.00   94
 30  ω     97.00 145.00   0.50   15.00    --  106.56  30.00 -90.00   96
 31  ω    151.00 176.00   0.50   15.00    --  106.56 125.00 150.00   50
 32  ω     69.00 111.00   0.50   15.00    --  106.56-125.00 120.00   84
 33  ω     37.00  63.00   0.50   15.00    --  106.56 -95.00  90.00   52
 34  ω     45.00  85.00   0.50   15.00    --  106.56 -77.00-180.00   80
 35  ω     97.00 141.00   0.50   15.00    --  106.56 125.00 150.00   88
 36  ω     39.00 109.00   0.50   15.00    --  106.56-125.00-180.00  140
 37  ω     34.00  60.00   0.50   15.00    --  106.56 -61.00   0.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1277700000
_diffrn_orient_matrix_UB_12      -0.0545510000
_diffrn_orient_matrix_UB_13      -0.0013512000
_diffrn_orient_matrix_UB_21      0.0625696000
_diffrn_orient_matrix_UB_22      0.0763156000
_diffrn_orient_matrix_UB_23      0.0930630000
_diffrn_orient_matrix_UB_31      -0.0739912000
_diffrn_orient_matrix_UB_32      -0.0841862000
_diffrn_orient_matrix_UB_33      0.0629374000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5315
_reflns_number_total             5786
_reflns_odcompleteness_completeness 99.46
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.94a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.94a 64-bit (release 20-10-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.94a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         3.972
_refine_diff_density_min         -2.176
_refine_diff_density_rms         0.229
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         5786
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0719
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1441P)²+6.0073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1986
_refine_ls_wR_factor_ref         0.2013
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.628(5)
 0.372(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12), C13(H13),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C31(H31), C32(H32),
 C34(H34), C35(H35), C36(H36)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Sm1 Sm 0.37688(4) 0.85600(3) 1.00211(3) 0.0220(2) Uani 1 1 d . . . . .
Si1 Si 0.8699(3) 0.7496(2) 0.45884(17) 0.0280(5) Uani 1 1 d . . . . .
O1 O 0.3207(7) 0.7563(6) 1.1444(5) 0.0317(15) Uani 1 1 d . . . . .
O2 O 0.5021(7) 0.7217(6) 1.0724(5) 0.0347(15) Uani 1 1 d . . . . .
O3 O 0.4244(8) 0.6339(6) 1.1937(6) 0.0450(18) Uani 1 1 d . . . . .
O4 O 0.5568(7) 0.8379(5) 0.8937(5) 0.0309(14) Uani 1 1 d . . . . .
O5 O 0.6948(7) 1.0021(5) 0.8931(5) 0.0309(14) Uani 1 1 d . . . . .
O6 O 0.5763(7) 0.9712(6) 0.0900(5) 0.0304(14) Uani 1 1 d . . . . .
O7 O 0.7447(8) 1.1106(6) 0.1461(5) 0.0390(17) Uani 1 1 d . . . . .
N1 N 0.4165(9) 0.7001(7) 1.1381(6) 0.0346(19) Uani 1 1 d . . . . .
N2 N 0.2771(8) 0.6580(7) 0.9210(6) 0.0297(17) Uani 1 1 d . . . . .
N3 N 0.1071(8) 0.7932(6) 0.9998(5) 0.0277(16) Uani 1 1 d . . . . .
C1 C 0.6451(9) 0.9048(8) 0.8563(7) 0.0272(19) Uani 1 1 d . . . . .
C2 C 0.6979(9) 0.8661(8) 0.7605(6) 0.0264(19) Uani 1 1 d . . . . .
C3 C 0.7080(11) 0.7580(8) 0.7354(7) 0.033(2) Uani 1 1 d . . . . .
H3 H 0.678687 0.706568 0.779128 0.040 Uiso 1 1 calc R U . . .
C4 C 0.7603(10) 0.7232(8) 0.6472(7) 0.032(2) Uani 1 1 d . . . . .
H4 H 0.771654 0.649594 0.633422 0.038 Uiso 1 1 calc R U . . .
C5 C 0.7967(10) 0.7955(8) 0.5781(7) 0.0287(19) Uani 1 1 d . . . . .
C6 C 0.7798(10) 0.9027(8) 0.6020(7) 0.031(2) Uani 1 1 d . . . . .
H6 H 0.799171 0.952139 0.555230 0.037 Uiso 1 1 calc R U . . .
C7 C 0.7354(9) 0.9395(8) 0.6921(7) 0.0289(19) Uani 1 1 d . . . . .
H7 H 0.730368 1.014287 0.707789 0.035 Uiso 1 1 calc R U . . .
C8 C 0.8120(9) 0.8276(8) 0.3629(6) 0.0262(18) Uani 1 1 d . . . . .
C9 C 0.9065(10) 0.9027(8) 0.3187(7) 0.031(2) Uani 1 1 d . . . . .
H9 H 1.003077 0.911943 0.335485 0.037 Uiso 1 1 calc R U . . .
C10 C 0.8639(10) 0.9640(8) 0.2512(7) 0.031(2) Uani 1 1 d . . . . .
H10 H 0.930822 1.014505 0.222834 0.037 Uiso 1 1 calc R U . . .
C11 C 0.7231(10) 0.9516(8) 0.2249(6) 0.0285(19) Uani 1 1 d . . . . .
C12 C 0.6283(10) 0.8795(9) 0.2686(7) 0.033(2) Uani 1 1 d . . . . .
H12 H 0.531964 0.870748 0.251291 0.040 Uiso 1 1 calc R U . . .
C13 C 0.6702(10) 0.8195(8) 0.3374(7) 0.032(2) Uani 1 1 d . . . . .
H13 H 0.601980 0.772191 0.367781 0.038 Uiso 1 1 calc R U . . .
C14 C 0.6802(10) 1.0160(9) 0.1507(7) 0.032(2) Uani 1 1 d . . . . .
C15 C 1.0651(10) 0.7823(8) 0.4696(7) 0.030(2) Uani 1 1 d . . . . .
C16 C 1.1445(11) 0.7577(10) 0.3904(8) 0.041(3) Uani 1 1 d . . . . .
H16 H 1.098327 0.722349 0.330343 0.049 Uiso 1 1 calc R U . . .
C17 C 1.2878(12) 0.7835(11) 0.3975(8) 0.045(3) Uani 1 1 d . . . . .
H17 H 1.338957 0.762590 0.343532 0.054 Uiso 1 1 calc R U . . .
C18 C 1.3576(11) 0.8395(9) 0.4824(9) 0.043(3) Uani 1 1 d . . . . .
H18 H 1.456285 0.859454 0.486640 0.052 Uiso 1 1 calc R U . . .
C19 C 1.2829(12) 0.8657(9) 0.5597(9) 0.042(2) Uani 1 1 d . . . . .
H19 H 1.330083 0.903657 0.618651 0.050 Uiso 1 1 calc R U . . .
C20 C 1.1377(11) 0.8376(8) 0.5539(7) 0.033(2) Uani 1 1 d . . . . .
H20 H 1.087844 0.856865 0.609056 0.039 Uiso 1 1 calc R U . . .
C21 C 0.7997(12) 0.5986(8) 0.4234(7) 0.036(2) Uani 1 1 d . . . . .
C22 C 0.8900(14) 0.5253(9) 0.3976(8) 0.045(3) Uani 1 1 d . . . . .
H22 H 0.987995 0.550644 0.402696 0.053 Uiso 1 1 calc R U . . .
C23 C 0.8342(19) 0.4169(10) 0.3649(9) 0.060(4) Uani 1 1 d . . . . .
H23 H 0.894794 0.367763 0.348191 0.072 Uiso 1 1 calc R U . . .
C24 C 0.692(2) 0.3785(10) 0.3561(10) 0.067(4) Uani 1 1 d . . . . .
H24 H 0.654957 0.304077 0.331824 0.080 Uiso 1 1 calc R U . . .
C25 C 0.6043(16) 0.4500(10) 0.3832(10) 0.055(3) Uani 1 1 d . . . . .
H25 H 0.506347 0.424142 0.378164 0.066 Uiso 1 1 calc R U . . .
C26 C 0.6582(13) 0.5580(10) 0.4174(9) 0.046(3) Uani 1 1 d . . . . .
H26 H 0.596753 0.605438 0.437215 0.055 Uiso 1 1 calc R U . . .
C27 C 0.3574(12) 0.5909(9) 0.8868(8) 0.038(2) Uani 1 1 d . . . . .
H27 H 0.455139 0.617345 0.889609 0.046 Uiso 1 1 calc R U . . .
C28 C 0.3043(12) 0.4818(9) 0.8463(8) 0.041(2) Uani 1 1 d . . . . .
H28 H 0.365618 0.434617 0.825422 0.049 Uiso 1 1 calc R U . . .
C29 C 0.1631(13) 0.4445(8) 0.8373(8) 0.040(2) Uani 1 1 d . . . . .
H29 H 0.125774 0.371374 0.809179 0.048 Uiso 1 1 calc R U . . .
C30 C 0.0747(12) 0.5134(8) 0.8694(7) 0.035(2) Uani 1 1 d . . . . .
C31 C -0.0740(12) 0.4797(9) 0.8613(8) 0.041(2) Uani 1 1 d . . . . .
H31 H -0.114063 0.407197 0.832734 0.049 Uiso 1 1 calc R U . . .
C32 C -0.1584(11) 0.5476(9) 0.8929(8) 0.036(2) Uani 1 1 d . . . . .
H32 H -0.256472 0.523556 0.884226 0.044 Uiso 1 1 calc R U . . .
C33 C -0.1008(10) 0.6570(9) 0.9402(6) 0.032(2) Uani 1 1 d . . . . .
C34 C -0.1871(9) 0.7272(9) 0.9788(7) 0.033(2) Uani 1 1 d . . . . .
H34 H -0.285491 0.704850 0.975997 0.040 Uiso 1 1 calc R U . . .
C35 C -0.1211(11) 0.8302(10) 1.0210(9) 0.044(3) Uani 1 1 d . . . . .
H35 H -0.175421 0.882882 1.041460 0.052 Uiso 1 1 calc R U . . .
C36 C 0.0235(11) 0.8588(9) 1.0342(8) 0.038(2) Uani 1 1 d . . . . .
H36 H 0.064016 0.928131 1.069402 0.045 Uiso 1 1 calc R U . . .
C37 C 0.0465(9) 0.6931(7) 0.9514(6) 0.0263(19) Uani 1 1 d . . . . .
C38 C 0.1356(10) 0.6212(7) 0.9131(7) 0.029(2) Uani 1 1 d . . . . .


_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
Sm1 Sm1 3.9507(8) 2_677 ?
Sm1 O1 2.482(7) . ?
Sm1 O2 2.539(7) . ?
Sm1 O4 2.376(6) . ?
Sm1 O5 2.384(6) 2_677 ?
Sm1 O6 2.624(7) 2_676 ?
Sm1 O6 2.392(7) 1_556 ?
Sm1 O7 2.463(7) 2_676 ?
Sm1 N1 2.950(9) . ?
Sm1 N2 2.590(8) . ?
Sm1 N3 2.608(8) . ?
Sm1 C14 2.916(10) 2_676 ?
Si1 C5 1.889(9) . ?
Si1 C8 1.882(10) . ?
Si1 C15 1.876(10) . ?
Si1 C21 1.886(11) . ?
O1 N1 1.279(11) . ?
O2 N1 1.275(11) . ?
O3 N1 1.213(11) . ?
O4 C1 1.257(12) . ?
O5 C1 1.262(12) . ?
O6 C14 1.293(12) . ?
O7 C14 1.245(13) . ?
N2 C27 1.316(13) . ?
N2 C38 1.372(13) . ?
N3 C36 1.330(12) . ?
N3 C37 1.365(12) . ?
C1 C2 1.496(13) . ?
C2 C3 1.384(14) . ?
C2 C7 1.409(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.405(13) . ?
C5 C6 1.389(14) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(13) . ?
C7 H7 0.9500 . ?
C8 C9 1.401(14) . ?
C8 C13 1.406(13) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(14) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(13) . ?
C11 C12 1.376(14) . ?
C11 C14 1.483(14) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(14) . ?
C13 H13 0.9500 . ?
C15 C16 1.401(14) . ?
C15 C20 1.382(14) . ?
C16 H16 0.9500 . ?
C16 C17 1.377(16) . ?
C17 H17 0.9500 . ?
C17 C18 1.380(17) . ?
C18 H18 0.9500 . ?
C18 C19 1.358(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.396(15) . ?
C20 H20 0.9500 . ?
C21 C22 1.420(16) . ?
C21 C26 1.379(17) . ?
C22 H22 0.9500 . ?
C22 C23 1.379(18) . ?
C23 H23 0.9500 . ?
C23 C24 1.38(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.39(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.376(17) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.408(16) . ?
C28 H28 0.9500 . ?
C28 C29 1.370(17) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(15) . ?
C30 C31 1.435(16) . ?
C30 C38 1.421(14) . ?
C31 H31 0.9500 . ?
C31 C32 1.345(16) . ?
C32 H32 0.9500 . ?
C32 C33 1.446(15) . ?
C33 C34 1.408(14) . ?
C33 C37 1.425(14) . ?
C34 H34 0.9500 . ?
C34 C35 1.378(16) . ?
C35 H35 0.9500 . ?
C35 C36 1.395(15) . ?
C36 H36 0.9500 . ?
C37 C38 1.442(13) . ?

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
O1 Sm1 Sm1 128.05(16) . 2_677 ?
O1 Sm1 O2 50.8(2) . . ?
O1 Sm1 O6 155.3(2) . 2_676 ?
O1 Sm1 N1 25.4(2) . . ?
O1 Sm1 N2 77.3(2) . . ?
O1 Sm1 N3 72.0(2) . . ?
O1 Sm1 C14 155.0(2) . 2_676 ?
O2 Sm1 Sm1 112.21(16) . 2_677 ?
O2 Sm1 O6 141.4(2) . 2_676 ?
O2 Sm1 N1 25.5(2) . . ?
O2 Sm1 N2 69.4(2) . . ?
O2 Sm1 N3 111.8(2) . . ?
O2 Sm1 C14 152.6(2) . 2_676 ?
O4 Sm1 Sm1 70.24(16) . 2_677 ?
O4 Sm1 O1 126.9(2) . . ?
O4 Sm1 O2 76.2(2) . . ?
O4 Sm1 O5 137.8(2) . 2_677 ?
O4 Sm1 O6 71.7(2) . 2_676 ?
O4 Sm1 O6 77.7(2) . 1_556 ?
O4 Sm1 O7 82.6(3) . 2_676 ?
O4 Sm1 N1 101.5(2) . . ?
O4 Sm1 N2 82.0(2) . . ?
O4 Sm1 N3 137.3(2) . . ?
O4 Sm1 C14 76.9(3) . 2_676 ?
O5 Sm1 Sm1 67.61(16) 2_677 2_677 ?
O5 Sm1 O1 81.4(2) 2_677 . ?
O5 Sm1 O2 120.4(2) 2_677 . ?
O5 Sm1 O6 70.5(2) 2_677 1_556 ?
O5 Sm1 O6 74.4(2) 2_677 2_676 ?
O5 Sm1 O7 95.2(3) 2_677 2_676 ?
O5 Sm1 N1 102.2(2) 2_677 . ?
O5 Sm1 N2 139.1(2) 2_677 . ?
O5 Sm1 N3 76.3(2) 2_677 . ?
O5 Sm1 C14 83.6(3) 2_677 2_676 ?
O6 Sm1 Sm1 40.17(15) 1_556 2_677 ?
O6 Sm1 Sm1 36.02(14) 2_676 2_677 ?
O6 Sm1 O1 91.2(2) 1_556 . ?
O6 Sm1 O2 76.5(2) 1_556 . ?
O6 Sm1 O6 76.2(2) 1_556 2_676 ?
O6 Sm1 O7 127.4(2) 1_556 2_676 ?
O6 Sm1 N1 160.4(2) 2_676 . ?
O6 Sm1 N1 84.5(2) 1_556 . ?
O6 Sm1 N2 143.6(2) 1_556 . ?
O6 Sm1 N3 144.7(2) 1_556 . ?
O6 Sm1 C14 102.5(3) 1_556 2_676 ?
O6 Sm1 C14 26.3(2) 2_676 2_676 ?
O7 Sm1 Sm1 87.23(16) 2_676 2_677 ?
O7 Sm1 O1 137.9(2) 2_676 . ?
O7 Sm1 O2 143.5(2) 2_676 . ?
O7 Sm1 O6 51.3(2) 2_676 2_676 ?
O7 Sm1 N1 147.6(2) 2_676 . ?
O7 Sm1 N2 78.7(2) 2_676 . ?
O7 Sm1 N3 66.5(2) 2_676 . ?
O7 Sm1 C14 25.0(3) 2_676 2_676 ?
N1 Sm1 Sm1 124.58(17) . 2_677 ?
N2 Sm1 Sm1 150.29(17) . 2_677 ?
N2 Sm1 O6 125.0(2) . 2_676 ?
N2 Sm1 N1 70.3(2) . . ?
N2 Sm1 N3 64.1(2) . . ?
N2 Sm1 C14 101.9(3) . 2_676 ?
N3 Sm1 Sm1 132.86(17) . 2_677 ?
N3 Sm1 O6 106.3(2) . 2_676 ?
N3 Sm1 N1 91.2(2) . . ?
N3 Sm1 C14 85.1(3) . 2_676 ?
C14 Sm1 Sm1 62.3(2) 2_676 2_677 ?
C14 Sm1 N1 172.2(3) 2_676 . ?
C8 Si1 C5 108.4(4) . . ?
C8 Si1 C21 109.5(4) . . ?
C15 Si1 C5 110.4(4) . . ?
C15 Si1 C8 107.7(4) . . ?
C15 Si1 C21 111.9(5) . . ?
C21 Si1 C5 108.8(4) . . ?
N1 O1 Sm1 98.2(5) . . ?
N1 O2 Sm1 95.6(5) . . ?
C1 O4 Sm1 133.9(6) . . ?
C1 O5 Sm1 137.9(6) . 2_677 ?
Sm1 O6 Sm1 103.8(2) 1_554 2_676 ?
C14 O6 Sm1 166.6(7) . 1_554 ?
C14 O6 Sm1 89.5(6) . 2_676 ?
C14 O7 Sm1 98.3(6) . 2_676 ?
O1 N1 Sm1 56.4(4) . . ?
O2 N1 Sm1 58.9(5) . . ?
O2 N1 O1 115.1(8) . . ?
O3 N1 Sm1 176.2(7) . . ?
O3 N1 O1 120.8(9) . . ?
O3 N1 O2 124.1(9) . . ?
C27 N2 Sm1 122.4(7) . . ?
C27 N2 C38 118.5(9) . . ?
C38 N2 Sm1 119.1(6) . . ?
C36 N3 Sm1 123.0(6) . . ?
C36 N3 C37 117.5(8) . . ?
C37 N3 Sm1 119.0(6) . . ?
O4 C1 O5 125.5(9) . . ?
O4 C1 C2 117.6(8) . . ?
O5 C1 C2 116.8(8) . . ?
C3 C2 C1 121.6(8) . . ?
C3 C2 C7 118.2(8) . . ?
C7 C2 C1 120.2(8) . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(9) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 120.9(9) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 Si1 121.3(7) . . ?
C6 C5 Si1 121.3(7) . . ?
C6 C5 C4 117.5(8) . . ?
C5 C6 H6 119.1 . . ?
C7 C6 C5 121.8(9) . . ?
C7 C6 H6 119.1 . . ?
C2 C7 H7 119.9 . . ?
C6 C7 C2 120.2(9) . . ?
C6 C7 H7 119.9 . . ?
C9 C8 Si1 122.0(7) . . ?
C9 C8 C13 116.4(9) . . ?
C13 C8 Si1 121.4(7) . . ?
C8 C9 H9 118.9 . . ?
C10 C9 C8 122.3(9) . . ?
C10 C9 H9 118.9 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(9) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C14 119.0(9) . . ?
C12 C11 C10 118.7(9) . . ?
C12 C11 C14 122.3(9) . . ?
C11 C12 H12 119.2 . . ?
C11 C12 C13 121.5(9) . . ?
C13 C12 H12 119.2 . . ?
C8 C13 H13 119.5 . . ?
C12 C13 C8 121.0(9) . . ?
C12 C13 H13 119.5 . . ?
O6 C14 Sm1 64.2(5) . 2_676 ?
O6 C14 C11 118.7(9) . . ?
O7 C14 Sm1 56.7(5) . 2_676 ?
O7 C14 O6 120.7(9) . . ?
O7 C14 C11 120.5(8) . . ?
C11 C14 Sm1 174.4(7) . 2_676 ?
C16 C15 Si1 121.5(7) . . ?
C20 C15 Si1 121.8(7) . . ?
C20 C15 C16 116.5(9) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 C15 121.7(10) . . ?
C17 C16 H16 119.1 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.4(10) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.5 . . ?
C19 C18 C17 119.0(10) . . ?
C19 C18 H18 120.5 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.0(11) . . ?
C20 C19 H19 119.5 . . ?
C15 C20 C19 121.3(9) . . ?
C15 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C22 C21 Si1 121.1(9) . . ?
C26 C21 Si1 120.3(9) . . ?
C26 C21 C22 118.5(10) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.5(13) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.2(14) . . ?
C24 C23 H23 119.4 . . ?
C23 C24 H24 120.4 . . ?
C23 C24 C25 119.1(12) . . ?
C25 C24 H24 120.4 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.4(13) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 H26 119.4 . . ?
C25 C26 C21 121.2(12) . . ?
C25 C26 H26 119.4 . . ?
N2 C27 H27 118.6 . . ?
N2 C27 C28 122.8(10) . . ?
C28 C27 H27 118.6 . . ?
C27 C28 H28 120.5 . . ?
C29 C28 C27 119.1(10) . . ?
C29 C28 H28 120.5 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0(10) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C31 122.7(10) . . ?
C29 C30 C38 117.9(10) . . ?
C38 C30 C31 119.4(9) . . ?
C30 C31 H31 119.0 . . ?
C32 C31 C30 122.0(10) . . ?
C32 C31 H31 119.0 . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.4(10) . . ?
C33 C32 H32 119.8 . . ?
C34 C33 C32 121.3(9) . . ?
C34 C33 C37 119.2(9) . . ?
C37 C33 C32 119.4(9) . . ?
C33 C34 H34 121.8 . . ?
C35 C34 C33 116.4(9) . . ?
C35 C34 H34 121.8 . . ?
C34 C35 H35 119.2 . . ?
C34 C35 C36 121.5(10) . . ?
C36 C35 H35 119.2 . . ?
N3 C36 C35 122.8(10) . . ?
N3 C36 H36 118.6 . . ?
C35 C36 H36 118.6 . . ?
N3 C37 C33 122.2(8) . . ?
N3 C37 C38 118.3(8) . . ?
C33 C37 C38 119.5(8) . . ?
N2 C38 C30 121.6(9) . . ?
N2 C38 C37 119.2(8) . . ?
C30 C38 C37 119.2(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sm1 O1 N1 O2 5.0(9) . . . . ?
Sm1 O1 N1 O3 -177.0(8) . . . . ?
Sm1 O2 N1 O1 -4.8(8) . . . . ?
Sm1 O2 N1 O3 177.2(9) . . . . ?
Sm1 O4 C1 O5 27.8(14) . . . . ?
Sm1 O4 C1 C2 -153.1(6) . . . . ?
Sm1 O5 C1 O4 -29.4(15) 2_677 . . . ?
Sm1 O5 C1 C2 151.4(7) 2_677 . . . ?
Sm1 O6 C14 Sm1 -176(3) 1_554 . . 2_676 ?
Sm1 O6 C14 O7 -171(2) 1_554 . . . ?
Sm1 O6 C14 O7 4.2(9) 2_676 . . . ?
Sm1 O6 C14 C11 -174.7(8) 2_676 . . . ?
Sm1 O6 C14 C11 10(3) 1_554 . . . ?
Sm1 O7 C14 O6 -4.5(10) 2_676 . . . ?
Sm1 O7 C14 C11 174.3(8) 2_676 . . . ?
Sm1 N2 C27 C28 177.3(8) . . . . ?
Sm1 N2 C38 C30 -180.0(7) . . . . ?
Sm1 N2 C38 C37 -0.9(11) . . . . ?
Sm1 N3 C36 C35 171.0(9) . . . . ?
Sm1 N3 C37 C33 -174.7(7) . . . . ?
Sm1 N3 C37 C38 7.0(11) . . . . ?
Si1 C5 C6 C7 -175.4(8) . . . . ?
Si1 C8 C9 C10 -177.1(7) . . . . ?
Si1 C8 C13 C12 178.2(8) . . . . ?
Si1 C15 C16 C17 178.8(9) . . . . ?
Si1 C15 C20 C19 -177.2(8) . . . . ?
Si1 C21 C22 C23 -175.1(8) . . . . ?
Si1 C21 C26 C25 174.0(9) . . . . ?
O4 C1 C2 C3 -30.7(13) . . . . ?
O4 C1 C2 C7 147.6(9) . . . . ?
O5 C1 C2 C3 148.5(9) . . . . ?
O5 C1 C2 C7 -33.2(12) . . . . ?
N2 C27 C28 C29 3.3(17) . . . . ?
N3 C37 C38 N2 -4.1(13) . . . . ?
N3 C37 C38 C30 175.0(8) . . . . ?
C1 C2 C3 C4 -178.4(9) . . . . ?
C1 C2 C7 C6 -177.7(8) . . . . ?
C2 C3 C4 C5 -3.9(15) . . . . ?
C3 C2 C7 C6 0.6(14) . . . . ?
C3 C4 C5 Si1 179.2(8) . . . . ?
C3 C4 C5 C6 0.7(14) . . . . ?
C4 C5 C6 C7 3.1(15) . . . . ?
C5 Si1 C8 C9 114.1(8) . . . . ?
C5 Si1 C8 C13 -61.0(9) . . . . ?
C5 Si1 C15 C16 -179.1(9) . . . . ?
C5 Si1 C15 C20 -3.0(10) . . . . ?
C5 Si1 C21 C22 -129.3(8) . . . . ?
C5 Si1 C21 C26 54.0(9) . . . . ?
C5 C6 C7 C2 -3.9(15) . . . . ?
C7 C2 C3 C4 3.2(14) . . . . ?
C8 Si1 C5 C4 148.0(8) . . . . ?
C8 Si1 C5 C6 -33.5(9) . . . . ?
C8 Si1 C15 C16 -61.0(10) . . . . ?
C8 Si1 C15 C20 115.2(8) . . . . ?
C8 Si1 C21 C22 112.3(8) . . . . ?
C8 Si1 C21 C26 -64.3(9) . . . . ?
C8 C9 C10 C11 -0.3(15) . . . . ?
C9 C8 C13 C12 2.9(14) . . . . ?
C9 C10 C11 C12 1.3(14) . . . . ?
C9 C10 C11 C14 -178.5(9) . . . . ?
C10 C11 C12 C13 -0.2(15) . . . . ?
C10 C11 C14 O6 143.8(9) . . . . ?
C10 C11 C14 O7 -35.1(14) . . . . ?
C11 C12 C13 C8 -2.0(16) . . . . ?
C12 C11 C14 O6 -36.0(14) . . . . ?
C12 C11 C14 O7 145.1(10) . . . . ?
C13 C8 C9 C10 -1.7(14) . . . . ?
C14 C11 C12 C13 179.6(9) . . . . ?
C15 Si1 C5 C4 -94.2(8) . . . . ?
C15 Si1 C5 C6 84.2(9) . . . . ?
C15 Si1 C8 C9 -5.4(9) . . . . ?
C15 Si1 C8 C13 179.6(8) . . . . ?
C15 Si1 C21 C22 -7.0(9) . . . . ?
C15 Si1 C21 C26 176.3(8) . . . . ?
C15 C16 C17 C18 -3.1(19) . . . . ?
C16 C15 C20 C19 -0.9(15) . . . . ?
C16 C17 C18 C19 2.1(18) . . . . ?
C17 C18 C19 C20 -0.6(17) . . . . ?
C18 C19 C20 C15 0.0(16) . . . . ?
C20 C15 C16 C17 2.4(17) . . . . ?
C21 Si1 C5 C4 28.9(9) . . . . ?
C21 Si1 C5 C6 -152.6(8) . . . . ?
C21 Si1 C8 C9 -127.3(8) . . . . ?
C21 Si1 C8 C13 57.6(9) . . . . ?
C21 Si1 C15 C16 59.5(10) . . . . ?
C21 Si1 C15 C20 -124.4(8) . . . . ?
C21 C22 C23 C24 0.6(18) . . . . ?
C22 C21 C26 C25 -2.7(17) . . . . ?
C22 C23 C24 C25 -2(2) . . . . ?
C23 C24 C25 C26 1(2) . . . . ?
C24 C25 C26 C21 1.6(19) . . . . ?
C26 C21 C22 C23 1.7(15) . . . . ?
C27 N2 C38 C30 0.0(14) . . . . ?
C27 N2 C38 C37 179.1(9) . . . . ?
C27 C28 C29 C30 -1.0(16) . . . . ?
C28 C29 C30 C31 179.4(10) . . . . ?
C28 C29 C30 C38 -1.5(15) . . . . ?
C29 C30 C31 C32 179.9(11) . . . . ?
C29 C30 C38 N2 2.1(14) . . . . ?
C29 C30 C38 C37 -177.0(9) . . . . ?
C30 C31 C32 C33 -2.4(17) . . . . ?
C31 C30 C38 N2 -178.8(9) . . . . ?
C31 C30 C38 C37 2.1(14) . . . . ?
C31 C32 C33 C34 -176.3(10) . . . . ?
C31 C32 C33 C37 1.1(15) . . . . ?
C32 C33 C34 C35 -179.1(10) . . . . ?
C32 C33 C37 N3 -176.5(9) . . . . ?
C32 C33 C37 C38 1.8(13) . . . . ?
C33 C34 C35 C36 -6.9(17) . . . . ?
C33 C37 C38 N2 177.6(8) . . . . ?
C33 C37 C38 C30 -3.3(13) . . . . ?
C34 C33 C37 N3 0.9(14) . . . . ?
C34 C33 C37 C38 179.2(9) . . . . ?
C34 C35 C36 N3 6.2(18) . . . . ?
C36 N3 C37 C33 -2.0(14) . . . . ?
C36 N3 C37 C38 179.7(9) . . . . ?
C37 N3 C36 C35 -1.5(15) . . . . ?
C37 C33 C34 C35 3.5(14) . . . . ?
C38 N2 C27 C28 -2.7(15) . . . . ?
C38 C30 C31 C32 0.8(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 13.565
_oxdiff_exptl_absorpt_empirical_full_min 0.272
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.628(5)
2 0.372(5)

####################################################################### 
# 
# 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_shi_3639_mz
_database_code_depnum_ccdc_archive 'CCDC 2314854'
loop_
_audit_author_name
_audit_author_address
'Sergiu Shova'
;Institute of Macromolecular Chemistry, Iasi
Romania
;
_audit_update_record             
;
2023-12-16 deposited with the CCDC.	2025-08-08 downloaded from the CCDC.
;
_audit_creation_date             2023-12-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C80 H66 Eu2 O16 Si3, H2 O, 1.5(C2 H6 O)'
_chemical_formula_sum            'C83 H77 Eu2 O18.50 Si3'
_chemical_formula_weight         1758.63
_chemical_melting_point          ?
_chemical_oxdiff_formula         C30H26O4Si1Eu1
_chemical_oxdiff_usercomment     DPCS_EU-MZ
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7022(4)
_cell_length_b                   17.9981(7)
_cell_length_c                   25.0737(9)
_cell_angle_alpha                94.462(3)
_cell_angle_beta                 96.341(3)
_cell_angle_gamma                105.149(4)
_cell_volume                     4174.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    745
_cell_measurement_temperature    200.05(10)
_cell_measurement_theta_max      25.0760
_cell_measurement_theta_min      2.3460
_shelx_estimated_absorpt_T_max   0.954
_shelx_estimated_absorpt_T_min   0.691
_exptl_absorpt_coefficient_mu    1.597
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1782
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_unetI/netI     0.0715
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            30944
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         1.511
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.05(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0797
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     34.00  73.00   1.00   70.00    --   26.04  57.00 -30.00   39
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0535601000
_diffrn_orient_matrix_UB_12      -0.0339789000
_diffrn_orient_matrix_UB_13      0.0030869000
_diffrn_orient_matrix_UB_21      -0.0536803000
_diffrn_orient_matrix_UB_22      0.0198548000
_diffrn_orient_matrix_UB_23      -0.0042676000
_diffrn_orient_matrix_UB_31      -0.0082223000
_diffrn_orient_matrix_UB_32      -0.0114001000
_diffrn_orient_matrix_UB_33      -0.0280697000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11469
_reflns_number_total             14728
_reflns_odcompleteness_completeness 16.10
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.221
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     720
_refine_ls_number_reflns         14728
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0526
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0438P)²+12.0187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1211
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C82-C81 = C82X-C81X
 1.52 with sigma of 0.01
 O15-C82 = O15-C82X
 1.4 with sigma of 0.01
 C79X-C80X = C79-C80
 1.52 with sigma of 0.01
 O13-C79 = O13-C79X
 1.4 with sigma of 0.01
 C89-C88
 1.52 with sigma of 0.01
 C81-O15 = C88-O14
 2.5 with sigma of 0.01
 O13-H13
 0.87 with sigma of 0.01
 O13-H13A
 0.87 with sigma of 0.01
 C79-H13A
 1.88487 with sigma of 0.02
 Eu2-H13
 2.930919 with sigma of 0.02
 Eu2-H13A
 3.019308 with sigma of 0.02
 C79X-H13
 1.890336 with sigma of 0.02
 Si2-C47 \\sim Si2-C47X
 with sigma of 0.01
 Si1-C21 \\sim Si1-C21X
 with sigma of 0.01
 Si3-C67 \\sim Si3-C67X
 with sigma of 0.01
 Si3-C73X \\sim Si3-C73
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uiso(C52) = Uiso(C47) = Uiso(C48) = Uiso(C49) = Uiso(C50) = Uiso(C51)
Uiso(C79X) = Uiso(C79)
Uiso(O14) = Uiso(C89) = Uiso(C88)
Uiso(C80X) = Uiso(C80)
Uiso(C48X) = Uiso(C48) = Uiso(C52) = Uiso(C52X)
Uiso(C49) = Uiso(C49X) = Uiso(C51) = Uiso(C51X)
Uiso(C50X) = Uiso(C50)
Uiso(C47) = Uiso(C47X)
Uiso(C22) = Uiso(C22X) = Uiso(C26) = Uiso(C26X)
Uiso(C24) = Uiso(C24X)
Uiso(C23) = Uiso(C23X) = Uiso(C25) = Uiso(C25X)
Uiso(C21) = Uiso(C21X)
Uiso(C69) = Uiso(C69X)
Uiso(C68X) = Uiso(C68)
Uiso(C72X) = Uiso(C72)
Uiso(C71X) = Uiso(C71)
Uiso(C70) = Uiso(C70X)
Uiso(C67) = Uiso(C67X)
Uiso(C74X) = Uiso(C74) = Uiso(C78X) = Uiso(C78)
Uiso(C76X) = Uiso(C76)
Uiso(C75X) = Uiso(C75) = Uiso(C77X) = Uiso(C77)
Uiso(C73X) = Uiso(C73)
4. Others
 Fixed Sof: O4W(0.5) H4WA(0.5) H4WB(0.5) O4WX(0.5) H4WC(0.5) H4WD(0.5)
 H13(0.5) H13A(0.5) O14(0.5) H14(0.5) H15A(0.5) H15(0.5) C23(0.5) H23(0.5)
 C24(0.5) H24(0.5) C25(0.5) H25(0.5) C26(0.5) H26(0.5) C21(0.5) C22(0.5)
 H22(0.5) C24X(0.5) H24X(0.5) C25X(0.5) H25X(0.5) C26X(0.5) H26X(0.5) C21X(0.5)
 C22X(0.5) H22X(0.5) C23X(0.5) H23X(0.5) C47(0.5) C52(0.5) H52(0.5) C51(0.5)
 H51(0.5) C50(0.5) H50(0.5) C49(0.5) H49(0.5) C48(0.5) H48(0.5) C51X(0.5)
 H51X(0.5) C50X(0.5) H50X(0.5) C49X(0.5) H49X(0.5) C48X(0.5) H48X(0.5)
 C47X(0.5) C52X(0.5) H52X(0.5) C68(0.5) H68(0.5) C67(0.5) C72(0.5) H72(0.5)
 C71(0.5) H71(0.5) C70(0.5) H70(0.5) C69(0.5) H69(0.5) C72X(0.5) H72X(0.5)
 C71X(0.5) H71X(0.5) C70X(0.5) H70X(0.5) C69X(0.5) H69X(0.5) C68X(0.5)
 H68X(0.5) C67X(0.5) C73X(0.5) C78X(0.5) H78X(0.5) C77X(0.5) H77X(0.5)
 C76X(0.5) H76X(0.5) C75X(0.5) H75X(0.5) C74X(0.5) H74X(0.5) C77(0.5) H77(0.5)
 C76(0.5) H76(0.5) C75(0.5) H75(0.5) C74(0.5) H74(0.5) C73(0.5) C78(0.5)
 H78(0.5) C79X(0.5) H79A(0.5) H79B(0.5) C79(0.5) H79C(0.5) H79D(0.5) C80X(0.5)
 H80A(0.5) H80B(0.5) H80C(0.5) C80(0.5) H80D(0.5) H80E(0.5) H80F(0.5) C81X(0.5)
 H81A(0.5) H81B(0.5) H81C(0.5) C81(0.5) H81D(0.5) H81E(0.5) H81F(0.5) C82(0.5)
 H82A(0.5) H82B(0.5) C82X(0.5) H82C(0.5) H82D(0.5) C88(0.5) H88A(0.5) H88B(0.5)
 H88C(0.5) C89(0.5) H89A(0.5) H89B(0.5)
5.a Riding coordinates:
 O2W(H2WA,H2WB), O4W(H4WA,H4WB), O4WX(H4WC,H4WD), O14(H14), C80X(H80A,H80B,
 H80C), C80(H80D,H80E,H80F), C81X(H81A,H81B,H81C), C81(H81D,H81E,H81F),
 C88(H88A,H88B,H88C)
5.b Rotating group:
 O1W(H1WA,H1WB), O3W(H3WA,H3WB)
5.c Secondary CH2 refined with riding coordinates:
 C79X(H79A,H79B), C79(H79C,H79D), C82(H82A,H82B), C82X(H82C,H82D), C89(H89A,
 H89B)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C10(H10), C9(H9), C13(H13B), C12(H12),
 C18(H18), C19(H19), C20(H20), C16(H16), C17(H17), C23(H23), C24(H24), C25(H25),
  C26(H26), C22(H22), C24X(H24X), C25X(H25X), C26X(H26X), C22X(H22X),
 C23X(H23X), C33(H33), C32(H32), C30(H30), C29(H29), C38(H38), C39(H39),
 C35(H35), C36(H36), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C52(H52),
  C51(H51), C50(H50), C49(H49), C48(H48), C51X(H51X), C50X(H50X), C49X(H49X),
 C48X(H48X), C52X(H52X), C59(H59), C55(H55), C56(H56), C58(H58), C64(H64),
 C62(H62), C61(H61), C65(H65), C68(H68), C72(H72), C71(H71), C70(H70), C69(H69),
  C72X(H72X), C71X(H71X), C70X(H70X), C69X(H69X), C68X(H68X), C78X(H78X),
 C77X(H77X), C76X(H76X), C75X(H75X), C74X(H74X), C77(H77), C76(H76), C75(H75),
 C74(H74), C78(H78)
5.e Fitted hexagon refined as free rotating group:
 C3(C4,C5,C6,C7,C2), C10(C9,C8,C13,C12,C11), C18(C19,C20,C15,C16,C17), C23(C24,
 C25,C26,C21,C22), C24X(C25X,C26X,C21X,C22X,C23X), C33(C32,C31,C30,C29,C28),
 C38(C39,C34,C35,C36,C37), C47(C52,C51,C50,C49,C48), C51X(C50X,C49X,C48X,C47X,
 C52X), C59(C54,C55,C56,C57,C58), C64(C63,C62,C61,C60,C65), C68(C67,C72,C71,C70,
 C69), C72X(C71X,C70X,C69X,C68X,C67X), C73X(C78X,C77X,C76X,C75X,C74X), C77(C76,
 C75,C74,C73,C78)
5.f Tetrahedral OH refined with riding coordinates:
 O15(H15A), O15(H15)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.19025(3) 0.52344(2) 0.96326(2) 0.02146(9) Uani 1 1 d . . . . .
Eu2 Eu 0.23525(3) 0.98104(2) 0.49749(2) 0.02672(10) Uani 1 1 d D . . . .
Si1 Si -0.23466(19) 0.84119(10) 0.78690(7) 0.0311(4) Uani 1 1 d D . . . .
Si2 Si 0.56217(18) 0.88265(10) 1.17749(7) 0.0283(4) Uani 1 1 d D . . . .
Si3 Si 0.6598(2) 1.44919(11) 0.68273(7) 0.0378(5) Uani 1 1 d D . . . .
O1 O -0.0025(4) 0.5560(2) 0.90697(16) 0.0266(9) Uani 1 1 d . . . . .
O1W O 0.2389(4) 0.4566(2) 1.03969(17) 0.0336(10) Uani 1 1 d . . . . .
H1WA H 0.252816 0.412062 1.029173 0.050 Uiso 1 1 d R U . . .
H1WB H 0.166095 0.448055 1.058172 0.050 Uiso 1 1 d R U . . .
O2W O 0.4180(4) 0.6001(2) 1.01270(16) 0.0325(10) Uani 1 1 d . . . . .
H2WA H 0.460745 0.570129 1.027956 0.049 Uiso 1 1 d R U . . .
H2WB H 0.451055 0.627179 0.988376 0.049 Uiso 1 1 d R U . . .
O2 O 0.1902(4) 0.6539(2) 0.93256(16) 0.0287(9) Uani 1 1 d . . . . .
O3 O 0.1164(5) 0.9150(3) 0.56539(19) 0.0455(12) Uani 1 1 d . . . . .
O3W O 0.3028(5) 0.8578(3) 0.4877(2) 0.0471(13) Uani 1 1 d . . . . .
H3WA H 0.264512 0.825550 0.511057 0.071 Uiso 1 1 d R U . . .
H3WB H 0.398705 0.865969 0.493858 0.071 Uiso 1 1 d R U . . .
O4W O 0.4620(13) 0.7375(7) 0.9029(5) 0.056(3) Uiso 0.5 1 d . . P A 1
H4WA H 0.376464 0.717840 0.909165 0.083 Uiso 0.5 1 d R U P A 1
H4WB H 0.459214 0.725440 0.869235 0.083 Uiso 0.5 1 d R U P A 1
O4WX O 0.4569(13) 0.7128(7) 0.8867(5) 0.051(3) Uiso 0.5 1 d . . P B 2
H4WC H 0.372712 0.699399 0.895762 0.077 Uiso 0.5 1 d R U P B 2
H4WD H 0.449472 0.687179 0.856102 0.077 Uiso 0.5 1 d R U P B 2
O4 O -0.0779(5) 0.9530(2) 0.54192(17) 0.0347(10) Uani 1 1 d . . . . .
O5 O 0.0615(4) 0.5742(2) 1.02675(15) 0.0251(9) Uani 1 1 d . . . . .
O6 O -0.0650(4) 0.5970(2) 1.09034(17) 0.0334(10) Uani 1 1 d . . . . .
O7 O 0.3310(4) 0.9771(3) 1.41621(17) 0.0402(12) Uani 1 1 d . . . . .
O8 O 0.5646(5) 1.0112(3) 1.44109(17) 0.0450(13) Uani 1 1 d . . . . .
O9 O 0.3938(4) 1.1185(3) 0.50507(18) 0.0412(12) Uani 1 1 d . . . . .
O10 O 0.2376(4) 1.0925(3) 0.56301(18) 0.0429(13) Uani 1 1 d . . . . .
O11 O 0.3039(5) 1.5441(3) 0.88566(18) 0.0368(11) Uani 1 1 d . . . . .
O12 O 0.3891(4) 1.4603(2) 0.92902(16) 0.0322(10) Uani 1 1 d . . . . .
O13 O 0.0353(4) 0.8842(3) 0.44197(19) 0.0438(13) Uani 1 1 d D . . . .
H13 H -0.037(7) 0.902(3) 0.430(5) 0.066 Uiso 0.5 1 d D U P C 1
H13A H -0.0539(17) 0.878(5) 0.448(3) 0.066 Uiso 0.5 1 d D U P D 2
O14 O 0.2320(16) 0.7274(9) 0.5342(6) 0.108(4) Uiso 0.5 1 d D . P . .
H14 H 0.204944 0.680173 0.526797 0.162 Uiso 0.5 1 d R U P . .
O15 O 0.3578(5) 1.3313(3) 1.0431(2) 0.0544(14) Uani 1 1 d D . . . .
H15A H 0.412284 1.314970 1.064811 0.082 Uiso 0.5 1 calc R U P E 2
H15 H 0.419793 1.318847 1.063955 0.082 Uiso 0.5 1 calc R U P F 1
C1 C 0.0656(6) 0.6262(3) 0.9065(2) 0.0248(13) Uani 1 1 d . . . . .
C3 C -0.1432(4) 0.64667(15) 0.84721(16) 0.0292(14) Uani 1 1 d G . . . .
H3 H -0.189822 0.593037 0.846181 0.035 Uiso 1 1 calc R U . . .
C4 C -0.2126(3) 0.6944(2) 0.82052(15) 0.0339(15) Uani 1 1 d G . . . .
H4 H -0.306600 0.673439 0.801250 0.041 Uiso 1 1 calc R U . . .
C5 C -0.1444(4) 0.77291(19) 0.82202(16) 0.0280(14) Uani 1 1 d G . . . .
C6 C -0.0068(4) 0.80363(15) 0.85021(17) 0.0328(15) Uani 1 1 d G . . . .
H6 H 0.039833 0.857265 0.851232 0.039 Uiso 1 1 calc R U . . .
C7 C 0.0626(3) 0.7559(2) 0.87690(16) 0.0327(15) Uani 1 1 d G . . . .
H7 H 0.156613 0.776864 0.896163 0.039 Uiso 1 1 calc R U . . .
C2 C -0.0056(4) 0.67739(18) 0.87540(15) 0.0239(13) Uani 1 1 d G . . . .
C10 C -0.2065(4) 0.8899(3) 0.62908(15) 0.0475(19) Uani 1 1 d G . . . .
H10 H -0.268858 0.899421 0.600006 0.057 Uiso 1 1 calc R U . . .
C9 C -0.2579(3) 0.8717(3) 0.67737(18) 0.054(2) Uani 1 1 d G . . . .
H9 H -0.355413 0.868749 0.681299 0.065 Uiso 1 1 calc R U . . .
C8 C -0.1667(4) 0.8579(3) 0.71991(14) 0.0336(15) Uani 1 1 d G . . . .
C13 C -0.0240(4) 0.8622(3) 0.71415(15) 0.0430(18) Uani 1 1 d G . . . .
H13B H 0.038372 0.852718 0.743227 0.052 Uiso 1 1 calc R U . . .
C12 C 0.0274(3) 0.8804(3) 0.66586(17) 0.0434(18) Uani 1 1 d G . . . .
H12 H 0.124929 0.883389 0.661934 0.052 Uiso 1 1 calc R U . . .
C11 C -0.0638(4) 0.8943(3) 0.62333(14) 0.0341(15) Uani 1 1 d G . . . .
C14 C -0.0062(7) 0.9224(4) 0.5736(3) 0.0311(15) Uani 1 1 d . . . . .
C18 C -0.7339(4) 0.7414(4) 0.7557(3) 0.091(4) Uani 1 1 d G . . . .
H18 H -0.835717 0.720937 0.749863 0.110 Uiso 1 1 calc R U . . .
C19 C -0.6716(5) 0.8121(4) 0.7868(3) 0.091(4) Uani 1 1 d G . . . .
H19 H -0.730879 0.839994 0.802177 0.110 Uiso 1 1 calc R U . . .
C20 C -0.5226(6) 0.8420(3) 0.7953(2) 0.063(2) Uani 1 1 d G . . . .
H20 H -0.480057 0.890287 0.816509 0.075 Uiso 1 1 calc R U . . .
C15 C -0.4359(4) 0.8011(3) 0.7727(2) 0.0407(17) Uani 1 1 d G . . . .
C16 C -0.4982(6) 0.7304(3) 0.7416(2) 0.057(2) Uani 1 1 d G . . . .
H16 H -0.438903 0.702467 0.726215 0.069 Uiso 1 1 calc R U . . .
C17 C -0.6472(6) 0.7005(3) 0.7331(2) 0.080(3) Uani 1 1 d G . . . .
H17 H -0.689726 0.652172 0.711882 0.096 Uiso 1 1 calc R U . . .
C23 C -0.0878(13) 1.0790(4) 0.8324(4) 0.066(2) Uiso 0.5 1 d G . P G 2
H23 H -0.054897 1.124590 0.815553 0.079 Uiso 0.5 1 calc R U P G 2
C24 C -0.0985(14) 1.0844(4) 0.8874(4) 0.057(3) Uiso 0.5 1 d G . P G 2
H24 H -0.072967 1.133701 0.907993 0.069 Uiso 0.5 1 calc R U P G 2
C25 C -0.1467(13) 1.0176(6) 0.9121(3) 0.066(2) Uiso 0.5 1 d G . P G 2
H25 H -0.154045 1.021322 0.949592 0.079 Uiso 0.5 1 calc R U P G 2
C26 C -0.1841(13) 0.9455(4) 0.8819(4) 0.0499(19) Uiso 0.5 1 d G . P G 2
H26 H -0.217053 0.899831 0.898750 0.060 Uiso 0.5 1 calc R U P G 2
C21 C -0.1734(13) 0.9400(4) 0.8270(4) 0.039(2) Uiso 0.5 1 d DG . P G 2
C22 C -0.1252(12) 1.0068(5) 0.8022(3) 0.0499(19) Uiso 0.5 1 d G . P G 2
H22 H -0.117906 1.003097 0.764711 0.060 Uiso 0.5 1 calc R U P G 2
C24X C -0.1264(14) 1.0566(5) 0.9173(4) 0.057(3) Uiso 0.5 1 d G . P G 1
H24X H -0.102345 1.100072 0.943981 0.069 Uiso 0.5 1 calc R U P G 1
C25X C -0.1730(13) 0.9822(6) 0.9320(3) 0.066(2) Uiso 0.5 1 d G . P G 1
H25X H -0.180772 0.974780 0.968756 0.079 Uiso 0.5 1 calc R U P G 1
C26X C -0.2083(13) 0.9187(4) 0.8929(4) 0.0499(19) Uiso 0.5 1 d G . P G 1
H26X H -0.240135 0.867804 0.902976 0.060 Uiso 0.5 1 calc R U P G 1
C21X C -0.1970(13) 0.9296(4) 0.8391(3) 0.039(2) Uiso 0.5 1 d DG . P G 1
C22X C -0.1504(13) 1.0040(5) 0.8244(3) 0.0499(19) Uiso 0.5 1 d G . P G 1
H22X H -0.142646 1.011413 0.787647 0.060 Uiso 0.5 1 calc R U P G 1
C23X C -0.1151(13) 1.0675(4) 0.8635(4) 0.066(2) Uiso 0.5 1 d G . P G 1
H23X H -0.083281 1.118389 0.853426 0.079 Uiso 0.5 1 calc R U P G 1
C27 C 0.0476(6) 0.6148(3) 1.0689(2) 0.0262(13) Uani 1 1 d . . . . .
C33 C 0.1965(4) 0.6959(2) 1.14971(13) 0.0408(17) Uani 1 1 d G . . . .
H33 H 0.138666 0.662404 1.171020 0.049 Uiso 1 1 calc R U . . .
C32 C 0.3094(4) 0.7577(2) 1.17454(10) 0.0421(18) Uani 1 1 d G . . . .
H32 H 0.328805 0.766560 1.212818 0.050 Uiso 1 1 calc R U . . .
C31 C 0.3940(4) 0.8067(2) 1.14337(14) 0.0308(15) Uani 1 1 d G . . . .
C30 C 0.3657(4) 0.7938(2) 1.08736(13) 0.0346(16) Uani 1 1 d G . . . .
H30 H 0.423523 0.827233 1.066053 0.042 Uiso 1 1 calc R U . . .
C29 C 0.2528(4) 0.7319(2) 1.06253(10) 0.0357(16) Uani 1 1 d G . . . .
H29 H 0.233385 0.723077 1.024254 0.043 Uiso 1 1 calc R U . . .
C28 C 0.1681(4) 0.68295(19) 1.09371(14) 0.0254(13) Uani 1 1 d G . . . .
C38 C 0.3640(3) 0.9345(3) 1.30955(16) 0.065(3) Uani 1 1 d G . . . .
H38 H 0.269035 0.924725 1.318815 0.078 Uiso 1 1 calc R U . . .
C39 C 0.3855(4) 0.9118(3) 1.25756(15) 0.066(3) Uani 1 1 d G . . . .
H39 H 0.305238 0.886415 1.231297 0.080 Uiso 1 1 calc R U . . .
C34 C 0.5244(4) 0.9261(3) 1.24401(12) 0.0267(14) Uani 1 1 d G . . . .
C35 C 0.6419(3) 0.9632(3) 1.28245(16) 0.082(4) Uani 1 1 d G . . . .
H35 H 0.736804 0.972949 1.273182 0.098 Uiso 1 1 calc R U . . .
C36 C 0.6203(4) 0.9859(3) 1.33443(14) 0.083(4) Uani 1 1 d G . . . .
H36 H 0.700604 1.011259 1.360699 0.100 Uiso 1 1 calc R U . . .
C37 C 0.4814(4) 0.9716(3) 1.34799(12) 0.0256(13) Uani 1 1 d G . . . .
C40 C 0.4574(6) 0.9874(3) 1.4061(2) 0.0261(13) Uani 1 1 d . . . . .
C41 C 0.6184(6) 0.9562(3) 1.1300(2) 0.0275(14) Uani 1 1 d . . . . .
C42 C 0.5232(8) 0.9962(4) 1.1096(3) 0.052(2) Uani 1 1 d . . . . .
H42 H 0.431764 0.987575 1.121842 0.062 Uiso 1 1 calc R U . . .
C43 C 0.5569(9) 1.0477(4) 1.0722(3) 0.057(2) Uani 1 1 d . . . . .
H43 H 0.488387 1.073292 1.058752 0.068 Uiso 1 1 calc R U . . .
C44 C 0.6875(9) 1.0621(5) 1.0543(3) 0.055(2) Uani 1 1 d . . . . .
H44 H 0.711580 1.098143 1.028733 0.065 Uiso 1 1 calc R U . . .
C45 C 0.7827(8) 1.0243(5) 1.0735(3) 0.064(3) Uani 1 1 d . . . . .
H45 H 0.874045 1.033670 1.061019 0.077 Uiso 1 1 calc R U . . .
C46 C 0.7498(8) 0.9722(5) 1.1109(3) 0.0479(19) Uani 1 1 d . . . . .
H46 H 0.819192 0.946813 1.123838 0.058 Uiso 1 1 calc R U . . .
C47 C 0.6932(11) 0.8228(5) 1.1849(4) 0.0583(12) Uiso 0.5 1 d DG . P H 2
C52 C 0.7320(11) 0.8007(6) 1.2350(4) 0.0583(12) Uiso 0.5 1 d G . P H 2
H52 H 0.706832 0.823580 1.266649 0.070 Uiso 0.5 1 calc R U P H 2
C51 C 0.8075(11) 0.7450(6) 1.2389(3) 0.0583(12) Uiso 0.5 1 d G . P H 2
H51 H 0.833995 0.729926 1.273195 0.070 Uiso 0.5 1 calc R U P H 2
C50 C 0.8443(11) 0.7115(5) 1.1927(4) 0.0583(12) Uiso 0.5 1 d G . P H 2
H50 H 0.895928 0.673475 1.195321 0.070 Uiso 0.5 1 calc R U P H 2
C49 C 0.8056(11) 0.7336(6) 1.1425(3) 0.0583(12) Uiso 0.5 1 d G . P H 2
H49 H 0.830699 0.710677 1.110900 0.070 Uiso 0.5 1 calc R U P H 2
C48 C 0.7300(11) 0.7892(6) 1.1386(3) 0.0583(12) Uiso 0.5 1 d G . P H 2
H48 H 0.703536 0.804331 1.104353 0.070 Uiso 0.5 1 calc R U P H 2
C51X C 0.9279(9) 0.8306(6) 1.2526(4) 0.0583(12) Uiso 0.5 1 d G . P H 1
H51X H 1.001408 0.852288 1.282105 0.070 Uiso 0.5 1 calc R U P H 1
C50X C 0.9307(9) 0.7642(6) 1.2209(4) 0.0583(12) Uiso 0.5 1 d G . P H 1
H50X H 1.006151 0.740503 1.228873 0.070 Uiso 0.5 1 calc R U P H 1
C49X C 0.8231(11) 0.7326(5) 1.1777(4) 0.0583(12) Uiso 0.5 1 d G . P H 1
H49X H 0.825064 0.687197 1.156097 0.070 Uiso 0.5 1 calc R U P H 1
C48X C 0.7128(10) 0.7673(6) 1.1661(4) 0.0583(12) Uiso 0.5 1 d G . P H 1
H48X H 0.639232 0.745676 1.136552 0.070 Uiso 0.5 1 calc R U P H 1
C47X C 0.7099(10) 0.8337(6) 1.1977(4) 0.0583(12) Uiso 0.5 1 d DG . P H 1
C52X C 0.8175(11) 0.8654(5) 1.2409(4) 0.0583(12) Uiso 0.5 1 d G . P H 1
H52X H 0.815573 0.910768 1.262560 0.070 Uiso 0.5 1 calc R U P H 1
C53 C 0.3427(7) 1.1368(4) 0.5466(3) 0.0380(17) Uani 1 1 d . . . . .
C59 C 0.3874(5) 1.2286(2) 0.63162(16) 0.046(2) Uani 1 1 d G . . . .
H59 H 0.323540 1.189221 0.647050 0.055 Uiso 1 1 calc R U . . .
C54 C 0.4123(5) 1.2157(2) 0.57859(15) 0.0408(18) Uani 1 1 d G . . . .
C55 C 0.5057(5) 1.2734(2) 0.55601(12) 0.0410(17) Uani 1 1 d G . . . .
H55 H 0.522738 1.264582 0.519763 0.049 Uiso 1 1 calc R U . . .
C56 C 0.5743(5) 1.3439(2) 0.58645(15) 0.0446(18) Uani 1 1 d G . . . .
H56 H 0.638169 1.383299 0.571020 0.054 Uiso 1 1 calc R U . . .
C57 C 0.5494(5) 1.35678(19) 0.63948(15) 0.0351(16) Uani 1 1 d G . . . .
C58 C 0.4560(5) 1.2991(2) 0.66206(12) 0.0444(19) Uani 1 1 d G . . . .
H58 H 0.438974 1.307941 0.698307 0.053 Uiso 1 1 calc R U . . .
C64 C 0.5259(4) 1.4275(2) 0.83451(14) 0.0365(16) Uani 1 1 d G . . . .
H64 H 0.529882 1.394436 0.862083 0.044 Uiso 1 1 calc R U . . .
C63 C 0.4589(4) 1.4865(2) 0.84077(12) 0.0257(13) Uani 1 1 d G . . . .
C62 C 0.4531(4) 1.53478(19) 0.80043(15) 0.0330(15) Uani 1 1 d G . . . .
H62 H 0.407373 1.575107 0.804703 0.040 Uiso 1 1 calc R U . . .
C61 C 0.5143(4) 1.5241(2) 0.75384(13) 0.0344(15) Uani 1 1 d G . . . .
H61 H 0.510371 1.557103 0.726268 0.041 Uiso 1 1 calc R U . . .
C60 C 0.5813(4) 1.4651(2) 0.74758(13) 0.0301(15) Uani 1 1 d G . . . .
C65 C 0.5871(4) 1.4168(2) 0.78792(16) 0.0392(16) Uani 1 1 d G . . . .
H65 H 0.632881 1.376432 0.783647 0.047 Uiso 1 1 calc R U . . .
C66 C 0.3800(6) 1.4963(4) 0.8884(2) 0.0281(14) Uani 1 1 d . . . . .
C68 C 0.8980(11) 1.3809(6) 0.6732(4) 0.061(3) Uiso 0.5 1 d G . P I 2
H68 H 0.841473 1.352510 0.641081 0.073 Uiso 0.5 1 calc R U P I 2
C67 C 0.8425(8) 1.4291(6) 0.7055(5) 0.034(2) Uiso 0.5 1 d DG . P I 2
C72 C 0.9252(11) 1.4706(6) 0.7525(4) 0.048(2) Uiso 0.5 1 d G . P I 2
H72 H 0.887190 1.503558 0.774637 0.058 Uiso 0.5 1 calc R U P I 2
C71 C 1.0634(11) 1.4639(7) 0.7672(4) 0.057(3) Uiso 0.5 1 d G . P I 2
H71 H 1.119915 1.492229 0.799371 0.068 Uiso 0.5 1 calc R U P I 2
C70 C 1.1189(8) 1.4156(7) 0.7349(5) 0.063(3) Uiso 0.5 1 d G . P I 2
H70 H 1.213421 1.411041 0.744961 0.076 Uiso 0.5 1 calc R U P I 2
C69 C 1.0362(11) 1.3741(7) 0.6879(5) 0.076(4) Uiso 0.5 1 d G . P I 2
H69 H 1.074203 1.341181 0.665816 0.092 Uiso 0.5 1 calc R U P I 2
C72X C 0.9363(11) 1.4846(7) 0.7461(4) 0.048(2) Uiso 0.5 1 d G . P I 1
H72X H 0.895348 1.511526 0.771296 0.058 Uiso 0.5 1 calc R U P I 1
C71X C 1.0776(11) 1.4809(7) 0.7579(4) 0.057(3) Uiso 0.5 1 d G . P I 1
H71X H 1.133233 1.505403 0.791226 0.068 Uiso 0.5 1 calc R U P I 1
C70X C 1.1375(7) 1.4415(7) 0.7210(5) 0.063(3) Uiso 0.5 1 d G . P I 1
H70X H 1.234124 1.438977 0.729064 0.076 Uiso 0.5 1 calc R U P I 1
C69X C 1.0562(11) 1.4056(7) 0.6722(5) 0.076(4) Uiso 0.5 1 d G . P I 1
H69X H 1.097132 1.378674 0.646972 0.092 Uiso 0.5 1 calc R U P I 1
C68X C 0.9149(10) 1.4093(7) 0.6604(4) 0.061(3) Uiso 0.5 1 d G . P I 1
H68X H 0.859247 1.384796 0.627041 0.073 Uiso 0.5 1 calc R U P I 1
C67X C 0.8549(7) 1.4487(7) 0.6973(5) 0.034(2) Uiso 0.5 1 d DG . P I 1
C73X C 0.6461(15) 1.5350(6) 0.6439(6) 0.043(2) Uiso 0.5 1 d DG . P I 2
C78X C 0.7606(13) 1.6017(8) 0.6530(6) 0.067(2) Uiso 0.5 1 d G . P I 2
H78X H 0.845662 1.602652 0.676138 0.080 Uiso 0.5 1 calc R U P I 2
C77X C 0.7508(14) 1.6669(6) 0.6283(6) 0.080(3) Uiso 0.5 1 d G . P I 2
H77X H 0.829049 1.712513 0.634510 0.096 Uiso 0.5 1 calc R U P I 2
C76X C 0.6264(16) 1.6655(6) 0.5944(6) 0.096(5) Uiso 0.5 1 d G . P I 2
H76X H 0.619641 1.710087 0.577501 0.116 Uiso 0.5 1 calc R U P I 2
C75X C 0.5119(12) 1.5988(7) 0.5853(5) 0.080(3) Uiso 0.5 1 d G . P I 2
H75X H 0.426843 1.597801 0.562119 0.096 Uiso 0.5 1 calc R U P I 2
C74X C 0.5217(12) 1.5335(6) 0.6100(5) 0.067(2) Uiso 0.5 1 d G . P I 2
H74X H 0.443454 1.487940 0.603746 0.080 Uiso 0.5 1 calc R U P I 2
C77 C 0.7979(15) 1.6670(6) 0.6327(6) 0.080(3) Uiso 0.5 1 d G . P I 1
H77 H 0.875420 1.712285 0.643319 0.096 Uiso 0.5 1 calc R U P I 1
C76 C 0.6908(16) 1.6665(6) 0.5909(6) 0.096(5) Uiso 0.5 1 d G . P I 1
H76 H 0.695091 1.711441 0.572938 0.116 Uiso 0.5 1 calc R U P I 1
C75 C 0.5775(13) 1.6002(7) 0.5754(5) 0.080(3) Uiso 0.5 1 d G . P I 1
H75 H 0.504247 1.599851 0.546779 0.096 Uiso 0.5 1 calc R U P I 1
C74 C 0.5712(12) 1.5344(6) 0.6016(5) 0.067(2) Uiso 0.5 1 d G . P I 1
H74 H 0.493729 1.489104 0.591004 0.080 Uiso 0.5 1 calc R U P I 1
C73 C 0.6783(15) 1.5349(6) 0.6434(5) 0.043(2) Uiso 0.5 1 d DG . P I 1
C78 C 0.7917(14) 1.6012(8) 0.6590(5) 0.067(2) Uiso 0.5 1 d G . P I 1
H78 H 0.864904 1.601536 0.687544 0.080 Uiso 0.5 1 calc R U P I 1
C79X C 0.011(2) 0.8075(6) 0.4175(7) 0.068(4) Uiso 0.5 1 d D . P J 1
H79A H 0.103870 0.799187 0.409071 0.082 Uiso 0.5 1 calc R U P J 1
H79B H -0.054393 0.799686 0.383153 0.082 Uiso 0.5 1 calc R U P J 1
C79 C 0.034(2) 0.8477(10) 0.3899(4) 0.068(4) Uiso 0.5 1 d D . P J 2
H79C H -0.038289 0.796419 0.385015 0.082 Uiso 0.5 1 calc R U P J 2
H79D H 0.129258 0.839155 0.386981 0.082 Uiso 0.5 1 calc R U P J 2
C80X C -0.055(3) 0.7480(13) 0.4553(9) 0.121(6) Uiso 0.5 1 d D . P J 1
H80A H 0.010197 0.756541 0.488170 0.182 Uiso 0.5 1 d R U P J 1
H80B H -0.145093 0.756621 0.463050 0.182 Uiso 0.5 1 d R U P J 1
H80C H -0.072013 0.695701 0.439260 0.182 Uiso 0.5 1 d R U P J 1
C80 C -0.003(3) 0.8944(13) 0.3456(9) 0.121(6) Uiso 0.5 1 d D . P J 2
H80D H -0.094780 0.903966 0.347522 0.182 Uiso 0.5 1 d R U P J 2
H80E H 0.071130 0.942696 0.351022 0.182 Uiso 0.5 1 d R U P J 2
H80F H -0.002560 0.868276 0.310662 0.182 Uiso 0.5 1 d R U P J 2
C81X C 0.128(3) 1.2364(17) 1.0054(12) 0.148(11) Uiso 0.5 1 d D . P K 2
H81A H 0.071527 1.221819 0.970360 0.222 Uiso 0.5 1 d R U P K 2
H81B H 0.116867 1.191909 1.024890 0.222 Uiso 0.5 1 d R U P K 2
H81C H 0.095667 1.275309 1.024890 0.222 Uiso 0.5 1 d R U P K 2
C81 C 0.289(3) 1.1970(8) 0.9958(10) 0.124(9) Uiso 0.5 1 d D . P L 1
H81D H 0.268774 1.196337 0.957413 0.185 Uiso 0.5 1 d R U P L 1
H81E H 0.390984 1.207996 1.006223 0.185 Uiso 0.5 1 d R U P L 1
H81F H 0.241834 1.147476 1.006223 0.185 Uiso 0.5 1 d R U P L 1
C82 C 0.2456(15) 1.2644(8) 1.0222(9) 0.077(6) Uiso 0.5 1 d D . P L 1
H82A H 0.178366 1.279634 0.995327 0.092 Uiso 0.5 1 calc R U P L 1
H82B H 0.191573 1.246002 1.052083 0.092 Uiso 0.5 1 calc R U P L 1
C82X C 0.285(2) 1.2709(12) 1.0017(9) 0.107(9) Uiso 0.5 1 d D . P K 2
H82C H 0.334280 1.229172 1.002761 0.128 Uiso 0.5 1 calc R U P K 2
H82D H 0.293850 1.291369 0.966321 0.128 Uiso 0.5 1 calc R U P K 2
C88 C 0.361(2) 0.8091(12) 0.6171(7) 0.108(4) Uiso 0.5 1 d D . P . .
H88A H 0.446308 0.798514 0.606516 0.162 Uiso 0.5 1 d R U P . .
H88B H 0.344538 0.853054 0.600605 0.162 Uiso 0.5 1 d R U P . .
H88C H 0.371978 0.820074 0.655666 0.162 Uiso 0.5 1 d R U P . .
C89 C 0.242(2) 0.7421(12) 0.5881(10) 0.108(4) Uiso 0.5 1 d D . P . .
H89A H 0.252765 0.694787 0.603984 0.130 Uiso 0.5 1 calc R U P . .
H89B H 0.149681 0.750065 0.596467 0.130 Uiso 0.5 1 calc R U P . .


_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 O1 2.439(4) . ?
Eu1 O1W 2.408(4) . ?
Eu1 O2W 2.420(4) . ?
Eu1 H2WA 2.8143 . ?
Eu1 H2WB 2.6984 . ?
Eu1 O2 2.527(4) . ?
Eu1 O5 2.396(4) . ?
Eu1 O5 2.660(4) 2_567 ?
Eu1 O6 2.406(4) 2_567 ?
Eu1 O11 2.348(4) 1_545 ?
Eu1 O12 2.667(4) 1_545 ?
Eu1 C1 2.848(6) . ?
Eu1 C27 2.905(6) 2_567 ?
Eu1 C66 2.871(6) 1_545 ?
Eu2 O3 2.382(4) . ?
Eu2 O3W 2.473(5) . ?
Eu2 O4 2.348(5) 2_576 ?
Eu2 O7 2.335(4) 1_554 ?
Eu2 O8 2.307(4) 2_677 ?
Eu2 O9 2.529(4) . ?
Eu2 O10 2.486(4) . ?
Eu2 O13 2.449(4) . ?
Eu2 C14 3.202(6) . ?
Eu2 C53 2.849(6) . ?
Si1 C5 1.901(3) . ?
Si1 C8 1.889(3) . ?
Si1 C15 1.879(4) . ?
Si1 C21 1.888(6) . ?
Si1 C21X 1.909(6) . ?
Si2 C31 1.899(3) . ?
Si2 C34 1.900(3) . ?
Si2 C41 1.865(6) . ?
Si2 C47 1.873(7) . ?
Si2 C47X 1.912(7) . ?
Si3 C57 1.903(3) . ?
Si3 C60 1.903(3) . ?
Si3 C67 1.934(6) . ?
Si3 C67X 1.890(6) . ?
Si3 C73X 1.914(7) . ?
Si3 C73 1.875(7) . ?
O1 C1 1.266(7) . ?
O1W H1WA 0.8730 . ?
O1W H1WB 0.8741 . ?
O2W H2WA 0.8502 . ?
O2W H2WB 0.8490 . ?
O2 C1 1.264(7) . ?
O3 C14 1.267(7) . ?
O3W H3WA 0.8985 . ?
O3W H3WB 0.8974 . ?
O4W H4WA 0.8502 . ?
O4W H4WB 0.8497 . ?
O4WX H4WC 0.8499 . ?
O4WX H4WD 0.8504 . ?
O4 C14 1.252(8) . ?
O5 C27 1.277(7) . ?
O6 C27 1.249(7) . ?
O7 C40 1.250(7) . ?
O8 C40 1.242(7) . ?
O9 C53 1.259(7) . ?
O10 C53 1.250(8) . ?
O11 C66 1.273(8) . ?
O12 C66 1.256(7) . ?
O13 H13 0.872(10) . ?
O13 H13A 0.874(10) . ?
O13 C79X 1.417(9) . ?
O13 C79 1.411(9) . ?
O14 H14 0.8201 . ?
O14 C89 1.35(2) . ?
O15 H15A 0.8400 . ?
O15 H15 0.8400 . ?
O15 C82 1.414(9) . ?
O15 C82X 1.420(10) . ?
C1 C2 1.503(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.3900 . ?
C3 C2 1.3900 . ?
C4 H4 0.9500 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 H6 0.9500 . ?
C6 C7 1.3900 . ?
C7 H7 0.9500 . ?
C7 C2 1.3900 . ?
C10 H10 0.9500 . ?
C10 C9 1.3900 . ?
C10 C11 1.3900 . ?
C9 H9 0.9500 . ?
C9 C8 1.3900 . ?
C8 C13 1.3900 . ?
C13 H13B 0.9500 . ?
C13 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C11 1.3900 . ?
C11 C14 1.492(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.3900 . ?
C18 C17 1.3900 . ?
C19 H19 0.9500 . ?
C19 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 H16 0.9500 . ?
C16 C17 1.3900 . ?
C17 H17 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.3900 . ?
C23 C22 1.3900 . ?
C24 H24 0.9500 . ?
C24 C25 1.3900 . ?
C25 H25 0.9500 . ?
C25 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 H22 0.9500 . ?
C24X H24X 0.9500 . ?
C24X C25X 1.3900 . ?
C24X C23X 1.3900 . ?
C25X H25X 0.9500 . ?
C25X C26X 1.3900 . ?
C26X H26X 0.9500 . ?
C26X C21X 1.3900 . ?
C21X C22X 1.3900 . ?
C22X H22X 0.9500 . ?
C22X C23X 1.3900 . ?
C23X H23X 0.9500 . ?
C27 C28 1.494(6) . ?
C33 H33 0.9500 . ?
C33 C32 1.3900 . ?
C33 C28 1.3900 . ?
C32 H32 0.9500 . ?
C32 C31 1.3900 . ?
C31 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C29 1.3900 . ?
C29 H29 0.9500 . ?
C29 C28 1.3900 . ?
C38 H38 0.9500 . ?
C38 C39 1.3900 . ?
C38 C37 1.3900 . ?
C39 H39 0.9500 . ?
C39 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C37 1.3900 . ?
C37 C40 1.517(6) . ?
C41 C42 1.390(10) . ?
C41 C46 1.379(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.374(10) . ?
C43 H43 0.9500 . ?
C43 C44 1.359(11) . ?
C44 H44 0.9500 . ?
C44 C45 1.354(12) . ?
C45 H45 0.9500 . ?
C45 C46 1.381(11) . ?
C46 H46 0.9500 . ?
C47 C52 1.3900 . ?
C47 C48 1.3900 . ?
C52 H52 0.9500 . ?
C52 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C48 1.3900 . ?
C48 H48 0.9500 . ?
C51X H51X 0.9500 . ?
C51X C50X 1.3900 . ?
C51X C52X 1.3900 . ?
C50X H50X 0.9500 . ?
C50X C49X 1.3900 . ?
C49X H49X 0.9500 . ?
C49X C48X 1.3900 . ?
C48X H48X 0.9500 . ?
C48X C47X 1.3900 . ?
C47X C52X 1.3900 . ?
C52X H52X 0.9500 . ?
C53 C54 1.522(7) . ?
C59 H59 0.9500 . ?
C59 C54 1.3900 . ?
C59 C58 1.3900 . ?
C54 C55 1.3900 . ?
C55 H55 0.9500 . ?
C55 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C58 H58 0.9500 . ?
C64 H64 0.9500 . ?
C64 C63 1.3900 . ?
C64 C65 1.3900 . ?
C63 C62 1.3900 . ?
C63 C66 1.512(6) . ?
C62 H62 0.9500 . ?
C62 C61 1.3900 . ?
C61 H61 0.9500 . ?
C61 C60 1.3900 . ?
C60 C65 1.3900 . ?
C65 H65 0.9500 . ?
C68 H68 0.9500 . ?
C68 C67 1.3900 . ?
C68 C69 1.3900 . ?
C67 C72 1.3900 . ?
C72 H72 0.9500 . ?
C72 C71 1.3900 . ?
C71 H71 0.9500 . ?
C71 C70 1.3900 . ?
C70 H70 0.9500 . ?
C70 C69 1.3900 . ?
C69 H69 0.9500 . ?
C72X H72X 0.9500 . ?
C72X C71X 1.3900 . ?
C72X C67X 1.3900 . ?
C71X H71X 0.9500 . ?
C71X C70X 1.3900 . ?
C70X H70X 0.9500 . ?
C70X C69X 1.3900 . ?
C69X H69X 0.9500 . ?
C69X C68X 1.3900 . ?
C68X H68X 0.9500 . ?
C68X C67X 1.3900 . ?
C73X C78X 1.3900 . ?
C73X C74X 1.3900 . ?
C78X H78X 0.9500 . ?
C78X C77X 1.3900 . ?
C77X H77X 0.9500 . ?
C77X C76X 1.3900 . ?
C76X H76X 0.9500 . ?
C76X C75X 1.3900 . ?
C75X H75X 0.9500 . ?
C75X C74X 1.3900 . ?
C74X H74X 0.9500 . ?
C77 H77 0.9500 . ?
C77 C76 1.3900 . ?
C77 C78 1.3900 . ?
C76 H76 0.9500 . ?
C76 C75 1.3900 . ?
C75 H75 0.9500 . ?
C75 C74 1.3900 . ?
C74 H74 0.9500 . ?
C74 C73 1.3900 . ?
C73 C78 1.3900 . ?
C78 H78 0.9500 . ?
C79X H79A 0.9900 . ?
C79X H79B 0.9900 . ?
C79X C80X 1.548(10) . ?
C79 H79C 0.9900 . ?
C79 H79D 0.9900 . ?
C79 C80 1.509(10) . ?
C80X H80A 0.9601 . ?
C80X H80B 0.9602 . ?
C80X H80C 0.9601 . ?
C80 H80D 0.9600 . ?
C80 H80E 0.9601 . ?
C80 H80F 0.9606 . ?
C81X H81A 0.9601 . ?
C81X H81B 0.9597 . ?
C81X H81C 0.9600 . ?
C81X C82X 1.505(10) . ?
C81 H81D 0.9599 . ?
C81 H81E 0.9599 . ?
C81 H81F 0.9599 . ?
C81 C82 1.511(10) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C82X H82C 0.9900 . ?
C82X H82D 0.9900 . ?
C88 H88A 0.9597 . ?
C88 H88B 0.9604 . ?
C88 H88C 0.9601 . ?
C88 C89 1.502(10) . ?
C89 H89A 0.9900 . ?
C89 H89B 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
O1 Eu1 H2WA 149.8 . . ?
O1 Eu1 H2WB 120.1 . . ?
O1 Eu1 O2 52.61(13) . . ?
O1 Eu1 O5 70.50(12) . 2_567 ?
O1 Eu1 O12 126.57(13) . 1_545 ?
O1 Eu1 C1 26.27(14) . . ?
O1 Eu1 C27 70.46(15) . 2_567 ?
O1 Eu1 C66 103.79(15) . 1_545 ?
O1W Eu1 O1 143.18(13) . . ?
O1W Eu1 O2W 73.42(14) . . ?
O1W Eu1 H2WA 59.4 . . ?
O1W Eu1 H2WB 90.6 . . ?
O1W Eu1 O2 144.77(14) . . ?
O1W Eu1 O5 74.81(13) . 2_567 ?
O1W Eu1 O12 80.09(14) . 1_545 ?
O1W Eu1 C1 154.92(15) . . ?
O1W Eu1 C27 83.72(16) . 2_567 ?
O1W Eu1 C66 105.93(17) . 1_545 ?
O2W Eu1 O1 133.21(14) . . ?
O2W Eu1 H2WA 16.6 . . ?
O2W Eu1 H2WB 18.1 . . ?
O2W Eu1 O2 80.86(14) . . ?
O2W Eu1 O5 143.85(13) . 2_567 ?
O2W Eu1 O12 74.37(13) . 1_545 ?
O2W Eu1 C1 107.13(16) . . ?
O2W Eu1 C27 155.97(16) . 2_567 ?
O2W Eu1 C66 80.55(15) . 1_545 ?
H2WA Eu1 H2WB 31.4 . . ?
O2 Eu1 H2WA 97.3 . . ?
O2 Eu1 H2WB 68.0 . . ?
O2 Eu1 O5 118.21(13) . 2_567 ?
O2 Eu1 O12 115.86(13) . 1_545 ?
O2 Eu1 C1 26.34(14) . . ?
O2 Eu1 C27 123.03(15) . 2_567 ?
O2 Eu1 C66 92.85(16) . 1_545 ?
O5 Eu1 O1 75.89(13) . . ?
O5 Eu1 O1W 79.50(14) . . ?
O5 Eu1 O2W 90.79(13) . . ?
O5 Eu1 H2WA 133.7 2_567 . ?
O5 Eu1 H2WA 96.3 . . ?
O5 Eu1 H2WB 99.6 . . ?
O5 Eu1 H2WB 161.3 2_567 . ?
O5 Eu1 O2 77.17(13) . . ?
O5 Eu1 O5 66.73(13) . 2_567 ?
O5 Eu1 O6 117.12(13) . 2_567 ?
O5 Eu1 O12 157.52(13) . 1_545 ?
O5 Eu1 O12 116.36(12) 2_567 1_545 ?
O5 Eu1 C1 94.61(14) 2_567 . ?
O5 Eu1 C1 75.42(14) . . ?
O5 Eu1 C27 92.26(15) . 2_567 ?
O5 Eu1 C27 26.05(14) 2_567 2_567 ?
O5 Eu1 C66 167.79(15) . 1_545 ?
O5 Eu1 C66 124.99(14) 2_567 1_545 ?
O6 Eu1 O1 76.38(14) 2_567 . ?
O6 Eu1 O1W 91.31(15) 2_567 . ?
O6 Eu1 O2W 145.56(15) 2_567 . ?
O6 Eu1 H2WA 131.3 2_567 . ?
O6 Eu1 H2WB 142.9 2_567 . ?
O6 Eu1 O2 122.83(14) 2_567 . ?
O6 Eu1 O5 51.01(12) 2_567 2_567 ?
O6 Eu1 O12 72.66(13) 2_567 1_545 ?
O6 Eu1 C1 99.60(16) 2_567 . ?
O6 Eu1 C27 25.01(15) 2_567 2_567 ?
O6 Eu1 C66 74.16(15) 2_567 1_545 ?
O11 Eu1 O1 81.82(14) 1_545 . ?
O11 Eu1 O1W 131.22(15) 1_545 . ?
O11 Eu1 O2W 85.74(15) 1_545 . ?
O11 Eu1 H2WA 90.0 1_545 . ?
O11 Eu1 H2WB 69.6 1_545 . ?
O11 Eu1 O2 68.58(14) 1_545 . ?
O11 Eu1 O5 128.87(14) 1_545 2_567 ?
O11 Eu1 O5 145.70(14) 1_545 . ?
O11 Eu1 O6 81.61(15) 1_545 2_567 ?
O11 Eu1 O12 51.63(14) 1_545 1_545 ?
O11 Eu1 C1 73.11(15) 1_545 . ?
O11 Eu1 C27 104.54(16) 1_545 2_567 ?
O11 Eu1 C66 25.83(16) 1_545 1_545 ?
O12 Eu1 H2WA 65.0 1_545 . ?
O12 Eu1 H2WB 71.2 1_545 . ?
O12 Eu1 C1 124.68(14) 1_545 . ?
O12 Eu1 C27 94.80(15) 1_545 2_567 ?
O12 Eu1 C66 25.89(15) 1_545 1_545 ?
C1 Eu1 H2WA 123.7 . . ?
C1 Eu1 H2WB 94.0 . . ?
C1 Eu1 C27 96.69(17) . 2_567 ?
C1 Eu1 C66 98.79(17) . 1_545 ?
C27 Eu1 H2WA 139.6 2_567 . ?
C27 Eu1 H2WB 165.7 2_567 . ?
C66 Eu1 H2WA 77.8 1_545 . ?
C66 Eu1 H2WB 69.7 1_545 . ?
C66 Eu1 C27 99.16(16) 1_545 2_567 ?
O3 Eu2 O3W 79.09(17) . . ?
O3 Eu2 O9 128.43(15) . . ?
O3 Eu2 O10 79.42(17) . . ?
O3 Eu2 O13 79.12(17) . . ?
O3 Eu2 C14 20.16(17) . . ?
O3 Eu2 C53 103.35(18) . . ?
O3W Eu2 O9 129.14(15) . . ?
O3W Eu2 O10 143.86(17) . . ?
O3W Eu2 C14 95.30(16) . . ?
O3W Eu2 C53 141.41(17) . . ?
O4 Eu2 O3 105.96(15) 2_576 . ?
O4 Eu2 O3W 142.30(15) 2_576 . ?
O4 Eu2 O9 77.53(15) 2_576 . ?
O4 Eu2 O10 72.05(16) 2_576 . ?
O4 Eu2 O13 72.56(16) 2_576 . ?
O4 Eu2 C14 85.80(17) 2_576 . ?
O4 Eu2 C53 74.95(18) 2_576 . ?
O7 Eu2 O3 149.69(17) 1_554 . ?
O7 Eu2 O3W 73.51(17) 1_554 . ?
O7 Eu2 O4 88.59(16) 1_554 2_576 ?
O7 Eu2 O9 80.12(14) 1_554 . ?
O7 Eu2 O10 130.81(16) 1_554 . ?
O7 Eu2 O13 80.24(15) 1_554 . ?
O7 Eu2 C14 152.93(15) 1_554 . ?
O7 Eu2 C53 106.10(18) 1_554 . ?
O8 Eu2 O3 81.46(16) 2_677 . ?
O8 Eu2 O3W 70.62(17) 2_677 . ?
O8 Eu2 O4 146.66(17) 2_677 2_576 ?
O8 Eu2 O7 101.05(15) 2_677 1_554 ?
O8 Eu2 O9 72.93(18) 2_677 . ?
O8 Eu2 O10 77.71(16) 2_677 . ?
O8 Eu2 O13 140.28(18) 2_677 . ?
O8 Eu2 C14 98.10(16) 2_677 . ?
O8 Eu2 C53 71.71(19) 2_677 . ?
O9 Eu2 C14 124.11(14) . . ?
O9 Eu2 C53 26.23(16) . . ?
O10 Eu2 O9 52.08(14) . . ?
O10 Eu2 C14 72.04(15) . . ?
O10 Eu2 C53 25.98(16) . . ?
O13 Eu2 O3W 71.87(15) . . ?
O13 Eu2 O9 144.37(18) . . ?
O13 Eu2 O10 131.13(14) . . ?
O13 Eu2 C14 72.80(16) . . ?
O13 Eu2 C53 146.72(18) . . ?
C53 Eu2 C14 97.97(17) . . ?
C5 Si1 C21X 103.9(4) . . ?
C8 Si1 C5 109.7(2) . . ?
C8 Si1 C21X 117.0(3) . . ?
C15 Si1 C5 112.4(2) . . ?
C15 Si1 C8 107.2(2) . . ?
C15 Si1 C21 113.9(4) . . ?
C15 Si1 C21X 106.7(4) . . ?
C21 Si1 C5 109.2(4) . . ?
C21 Si1 C8 104.1(3) . . ?
C31 Si2 C34 109.44(19) . . ?
C31 Si2 C47X 109.5(4) . . ?
C34 Si2 C47X 104.4(4) . . ?
C41 Si2 C31 108.5(2) . . ?
C41 Si2 C34 113.0(2) . . ?
C41 Si2 C47 110.2(4) . . ?
C41 Si2 C47X 112.0(4) . . ?
C47 Si2 C31 100.7(4) . . ?
C47 Si2 C34 114.2(4) . . ?
C57 Si3 C67 104.6(4) . . ?
C57 Si3 C73X 107.9(5) . . ?
C60 Si3 C57 111.68(19) . . ?
C60 Si3 C67 105.2(4) . . ?
C60 Si3 C73X 105.2(5) . . ?
C67X Si3 C57 110.7(4) . . ?
C67X Si3 C60 111.4(4) . . ?
C73X Si3 C67 122.3(6) . . ?
C73 Si3 C57 110.9(5) . . ?
C73 Si3 C60 111.2(5) . . ?
C73 Si3 C67X 100.4(6) . . ?
C1 O1 Eu1 95.2(3) . . ?
Eu1 O1W H1WA 110.7 . . ?
Eu1 O1W H1WB 110.2 . . ?
H1WA O1W H1WB 108.2 . . ?
Eu1 O2W H2WA 109.0 . . ?
Eu1 O2W H2WB 99.9 . . ?
H2WA O2W H2WB 123.3 . . ?
C1 O2 Eu1 91.1(3) . . ?
C14 O3 Eu2 119.5(4) . . ?
Eu2 O3W H3WA 111.7 . . ?
Eu2 O3W H3WB 111.3 . . ?
H3WA O3W H3WB 107.2 . . ?
H4WA O4W H4WB 104.5 . . ?
H4WC O4WX H4WD 104.5 . . ?
C14 O4 Eu2 165.4(4) . 2_576 ?
Eu1 O5 Eu1 113.27(13) . 2_567 ?
C27 O5 Eu1 155.9(4) . . ?
C27 O5 Eu1 87.7(3) . 2_567 ?
C27 O6 Eu1 100.4(3) . 2_567 ?
C40 O7 Eu2 132.0(4) . 1_556 ?
C40 O8 Eu2 163.6(5) . 2_677 ?
C53 O9 Eu2 91.2(4) . . ?
C53 O10 Eu2 93.4(4) . . ?
C66 O11 Eu1 100.7(4) . 1_565 ?
C66 O12 Eu1 86.2(4) . 1_565 ?
Eu2 O13 H13 114.6(15) . . ?
Eu2 O13 H13A 121.7(18) . . ?
C79X O13 Eu2 136.3(8) . . ?
C79X O13 H13 108.6(16) . . ?
C79 O13 Eu2 127.9(8) . . ?
C79 O13 H13A 108.1(18) . . ?
C89 O14 H14 107.2 . . ?
C82 O15 H15 109.5 . . ?
C82X O15 H15A 109.5 . . ?
O1 C1 Eu1 58.6(3) . . ?
O1 C1 C2 118.9(5) . . ?
O2 C1 Eu1 62.6(3) . . ?
O2 C1 O1 121.1(6) . . ?
O2 C1 C2 120.0(5) . . ?
C2 C1 Eu1 177.4(4) . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 Si1 121.9(2) . . ?
C6 C5 Si1 118.1(2) . . ?
C6 C5 C4 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C2 C7 H7 120.0 . . ?
C3 C2 C1 119.7(3) . . ?
C7 C2 C1 120.3(3) . . ?
C7 C2 C3 120.0 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C8 Si1 119.2(2) . . ?
C9 C8 C13 120.0 . . ?
C13 C8 Si1 120.6(2) . . ?
C8 C13 H13B 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13B 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C10 C11 C14 119.2(4) . . ?
C12 C11 C10 120.0 . . ?
C12 C11 C14 120.4(4) . . ?
O3 C14 Eu2 40.4(3) . . ?
O3 C14 C11 118.0(6) . . ?
O4 C14 Eu2 82.4(3) . . ?
O4 C14 O3 122.1(6) . . ?
O4 C14 C11 119.8(5) . . ?
C11 C14 Eu2 156.4(4) . . ?
C19 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C15 120.0 . . ?
C15 C20 H20 120.0 . . ?
C20 C15 Si1 119.1(3) . . ?
C16 C15 Si1 120.9(3) . . ?
C16 C15 C20 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C21 120.0 . . ?
C21 C26 H26 120.0 . . ?
C26 C21 Si1 118.5(5) . . ?
C22 C21 Si1 121.5(5) . . ?
C22 C21 C26 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C25X C24X H24X 120.0 . . ?
C25X C24X C23X 120.0 . . ?
C23X C24X H24X 120.0 . . ?
C24X C25X H25X 120.0 . . ?
C24X C25X C26X 120.0 . . ?
C26X C25X H25X 120.0 . . ?
C25X C26X H26X 120.0 . . ?
C21X C26X C25X 120.0 . . ?
C21X C26X H26X 120.0 . . ?
C26X C21X Si1 119.2(6) . . ?
C26X C21X C22X 120.0 . . ?
C22X C21X Si1 120.7(5) . . ?
C21X C22X H22X 120.0 . . ?
C23X C22X C21X 120.0 . . ?
C23X C22X H22X 120.0 . . ?
C24X C23X H23X 120.0 . . ?
C22X C23X C24X 120.0 . . ?
C22X C23X H23X 120.0 . . ?
O5 C27 Eu1 66.2(3) . 2_567 ?
O5 C27 C28 119.9(5) . . ?
O6 C27 Eu1 54.5(3) . 2_567 ?
O6 C27 O5 120.6(5) . . ?
O6 C27 C28 119.5(5) . . ?
C28 C27 Eu1 171.6(4) . 2_567 ?
C32 C33 H33 120.0 . . ?
C32 C33 C28 120.0 . . ?
C28 C33 H33 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C31 Si2 119.3(2) . . ?
C32 C31 C30 120.0 . . ?
C30 C31 Si2 120.2(2) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C33 C28 C27 118.0(3) . . ?
C29 C28 C27 121.9(3) . . ?
C29 C28 C33 120.0 . . ?
C39 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C38 C39 C34 120.0 . . ?
C34 C39 H39 120.0 . . ?
C39 C34 Si2 121.6(2) . . ?
C35 C34 Si2 117.7(2) . . ?
C35 C34 C39 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C37 C36 H36 120.0 . . ?
C38 C37 C40 119.2(3) . . ?
C36 C37 C38 120.0 . . ?
C36 C37 C40 120.4(3) . . ?
O7 C40 C37 118.4(5) . . ?
O8 C40 O7 123.2(5) . . ?
O8 C40 C37 118.4(5) . . ?
C42 C41 Si2 120.2(5) . . ?
C46 C41 Si2 123.9(5) . . ?
C46 C41 C42 115.8(6) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 C41 122.3(7) . . ?
C43 C42 H42 118.9 . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.4(8) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 120.6 . . ?
C45 C44 C43 118.7(8) . . ?
C45 C44 H44 120.6 . . ?
C44 C45 H45 119.3 . . ?
C44 C45 C46 121.3(8) . . ?
C46 C45 H45 119.3 . . ?
C41 C46 C45 121.5(7) . . ?
C41 C46 H46 119.3 . . ?
C45 C46 H46 119.3 . . ?
C52 C47 Si2 120.1(6) . . ?
C52 C47 C48 120.0 . . ?
C48 C47 Si2 118.9(6) . . ?
C47 C52 H52 120.0 . . ?
C47 C52 C51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C51 C50 C49 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C50 C49 C48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C47 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C50X C51X H51X 120.0 . . ?
C50X C51X C52X 120.0 . . ?
C52X C51X H51X 120.0 . . ?
C51X C50X H50X 120.0 . . ?
C51X C50X C49X 120.0 . . ?
C49X C50X H50X 120.0 . . ?
C50X C49X H49X 120.0 . . ?
C48X C49X C50X 120.0 . . ?
C48X C49X H49X 120.0 . . ?
C49X C48X H48X 120.0 . . ?
C47X C48X C49X 120.0 . . ?
C47X C48X H48X 120.0 . . ?
C48X C47X Si2 118.3(6) . . ?
C48X C47X C52X 120.0 . . ?
C52X C47X Si2 121.6(6) . . ?
C51X C52X H52X 120.0 . . ?
C47X C52X C51X 120.0 . . ?
C47X C52X H52X 120.0 . . ?
O9 C53 Eu2 62.6(3) . . ?
O9 C53 C54 118.8(6) . . ?
O10 C53 Eu2 60.6(3) . . ?
O10 C53 O9 122.7(6) . . ?
O10 C53 C54 118.5(5) . . ?
C54 C53 Eu2 172.2(5) . . ?
C54 C59 H59 120.0 . . ?
C54 C59 C58 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C54 C53 119.5(4) . . ?
C55 C54 C53 120.4(4) . . ?
C55 C54 C59 120.0 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
C56 C57 Si3 119.2(2) . . ?
C58 C57 Si3 120.5(2) . . ?
C58 C57 C56 120.0 . . ?
C59 C58 H58 120.0 . . ?
C57 C58 C59 120.0 . . ?
C57 C58 H58 120.0 . . ?
C63 C64 H64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 C66 122.0(4) . . ?
C62 C63 C66 117.8(4) . . ?
C63 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C62 C61 H61 120.0 . . ?
C60 C61 C62 120.0 . . ?
C60 C61 H61 120.0 . . ?
C61 C60 Si3 119.6(2) . . ?
C61 C60 C65 120.0 . . ?
C65 C60 Si3 120.4(2) . . ?
C64 C65 H65 120.0 . . ?
C60 C65 C64 120.0 . . ?
C60 C65 H65 120.0 . . ?
O11 C66 Eu1 53.5(3) . 1_565 ?
O11 C66 C63 116.4(5) . . ?
O12 C66 Eu1 67.9(3) . 1_565 ?
O12 C66 O11 121.1(5) . . ?
O12 C66 C63 122.5(5) . . ?
C63 C66 Eu1 168.5(4) . 1_565 ?
C67 C68 H68 120.0 . . ?
C67 C68 C69 120.0 . . ?
C69 C68 H68 120.0 . . ?
C68 C67 Si3 121.3(7) . . ?
C68 C67 C72 120.0 . . ?
C72 C67 Si3 118.3(7) . . ?
C67 C72 H72 120.0 . . ?
C71 C72 C67 120.0 . . ?
C71 C72 H72 120.0 . . ?
C72 C71 H71 120.0 . . ?
C70 C71 C72 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C70 H70 120.0 . . ?
C71 C70 C69 120.0 . . ?
C69 C70 H70 120.0 . . ?
C68 C69 H69 120.0 . . ?
C70 C69 C68 120.0 . . ?
C70 C69 H69 120.0 . . ?
C71X C72X H72X 120.0 . . ?
C71X C72X C67X 120.0 . . ?
C67X C72X H72X 120.0 . . ?
C72X C71X H71X 120.0 . . ?
C70X C71X C72X 120.0 . . ?
C70X C71X H71X 120.0 . . ?
C71X C70X H70X 120.0 . . ?
C69X C70X C71X 120.0 . . ?
C69X C70X H70X 120.0 . . ?
C70X C69X H69X 120.0 . . ?
C68X C69X C70X 120.0 . . ?
C68X C69X H69X 120.0 . . ?
C69X C68X H68X 120.0 . . ?
C69X C68X C67X 120.0 . . ?
C67X C68X H68X 120.0 . . ?
C72X C67X Si3 120.0(7) . . ?
C68X C67X Si3 119.9(7) . . ?
C68X C67X C72X 120.0 . . ?
C78X C73X Si3 118.3(8) . . ?
C78X C73X C74X 120.0 . . ?
C74X C73X Si3 121.5(8) . . ?
C73X C78X H78X 120.0 . . ?
C77X C78X C73X 120.0 . . ?
C77X C78X H78X 120.0 . . ?
C78X C77X H77X 120.0 . . ?
C78X C77X C76X 120.0 . . ?
C76X C77X H77X 120.0 . . ?
C77X C76X H76X 120.0 . . ?
C77X C76X C75X 120.0 . . ?
C75X C76X H76X 120.0 . . ?
C76X C75X H75X 120.0 . . ?
C74X C75X C76X 120.0 . . ?
C74X C75X H75X 120.0 . . ?
C73X C74X H74X 120.0 . . ?
C75X C74X C73X 120.0 . . ?
C75X C74X H74X 120.0 . . ?
C76 C77 H77 120.0 . . ?
C76 C77 C78 120.0 . . ?
C78 C77 H77 120.0 . . ?
C77 C76 H76 120.0 . . ?
C77 C76 C75 120.0 . . ?
C75 C76 H76 120.0 . . ?
C76 C75 H75 120.0 . . ?
C74 C75 C76 120.0 . . ?
C74 C75 H75 120.0 . . ?
C75 C74 H74 120.0 . . ?
C75 C74 C73 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C73 Si3 119.5(8) . . ?
C78 C73 Si3 120.2(8) . . ?
C78 C73 C74 120.0 . . ?
C77 C78 H78 120.0 . . ?
C73 C78 C77 120.0 . . ?
C73 C78 H78 120.0 . . ?
O13 C79X H79A 109.5 . . ?
O13 C79X H79B 109.5 . . ?
O13 C79X C80X 110.8(14) . . ?
H79A C79X H79B 108.1 . . ?
C80X C79X H79A 109.5 . . ?
C80X C79X H79B 109.5 . . ?
O13 C79 H79C 109.0 . . ?
O13 C79 H79D 109.0 . . ?
O13 C79 C80 112.8(15) . . ?
H79C C79 H79D 107.8 . . ?
C80 C79 H79C 109.0 . . ?
C80 C79 H79D 109.0 . . ?
C79X C80X H80A 108.0 . . ?
C79X C80X H80B 108.6 . . ?
C79X C80X H80C 111.8 . . ?
H80A C80X H80B 109.5 . . ?
H80A C80X H80C 109.5 . . ?
H80B C80X H80C 109.5 . . ?
C79 C80 H80D 111.0 . . ?
C79 C80 H80E 106.4 . . ?
C79 C80 H80F 111.0 . . ?
H80D C80 H80E 109.5 . . ?
H80D C80 H80F 109.4 . . ?
H80E C80 H80F 109.4 . . ?
H81A C81X H81B 109.5 . . ?
H81A C81X H81C 109.5 . . ?
H81B C81X H81C 109.5 . . ?
C82X C81X H81A 111.9 . . ?
C82X C81X H81B 109.5 . . ?
C82X C81X H81C 106.9 . . ?
H81D C81 H81E 109.5 . . ?
H81D C81 H81F 109.5 . . ?
H81E C81 H81F 109.5 . . ?
C82 C81 H81D 108.0 . . ?
C82 C81 H81E 105.7 . . ?
C82 C81 H81F 114.6 . . ?
O15 C82 C81 117.0(10) . . ?
O15 C82 H82A 108.1 . . ?
O15 C82 H82B 108.1 . . ?
C81 C82 H82A 108.1 . . ?
C81 C82 H82B 108.1 . . ?
H82A C82 H82B 107.3 . . ?
O15 C82X C81X 114.8(19) . . ?
O15 C82X H82C 108.6 . . ?
O15 C82X H82D 108.6 . . ?
C81X C82X H82C 108.6 . . ?
C81X C82X H82D 108.6 . . ?
H82C C82X H82D 107.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.4 . . ?
C89 C88 H88A 103.1 . . ?
C89 C88 H88B 103.9 . . ?
C89 C88 H88C 120.9 . . ?
O14 C89 C88 119.2(17) . . ?
O14 C89 H89A 107.5 . . ?
O14 C89 H89B 107.5 . . ?
C88 C89 H89A 107.5 . . ?
C88 C89 H89B 107.5 . . ?
H89A C89 H89B 107.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 O2 -2.0(6) . . . . ?
Eu1 O1 C1 C2 179.4(4) . . . . ?
Eu1 O2 C1 O1 1.9(5) . . . . ?
Eu1 O2 C1 C2 -179.5(4) . . . . ?
Eu1 O5 C27 Eu1 -151.6(9) . . . 2_567 ?
Eu1 O5 C27 O6 -156.5(6) . . . . ?
Eu1 O5 C27 O6 -4.9(6) 2_567 . . . ?
Eu1 O5 C27 C28 173.5(5) 2_567 . . . ?
Eu1 O5 C27 C28 21.9(13) . . . . ?
Eu1 O6 C27 O5 5.5(7) 2_567 . . . ?
Eu1 O6 C27 C28 -172.9(4) 2_567 . . . ?
Eu1 O11 C66 O12 -7.1(6) 1_565 . . . ?
Eu1 O11 C66 C63 173.6(4) 1_565 . . . ?
Eu1 O12 C66 O11 6.2(5) 1_565 . . . ?
Eu1 O12 C66 C63 -174.6(5) 1_565 . . . ?
Eu2 O3 C14 O4 11.6(8) . . . . ?
Eu2 O3 C14 C11 -167.5(4) . . . . ?
Eu2 O4 C14 Eu2 -143.7(16) 2_576 . . . ?
Eu2 O4 C14 O3 -151.3(13) 2_576 . . . ?
Eu2 O4 C14 C11 27.8(19) 2_576 . . . ?
Eu2 O7 C40 O8 -8.0(10) 1_556 . . . ?
Eu2 O7 C40 C37 173.3(4) 1_556 . . . ?
Eu2 O8 C40 O7 106.1(14) 2_677 . . . ?
Eu2 O8 C40 C37 -75.2(16) 2_677 . . . ?
Eu2 O9 C53 O10 -8.2(8) . . . . ?
Eu2 O9 C53 C54 171.3(5) . . . . ?
Eu2 O10 C53 O9 8.3(8) . . . . ?
Eu2 O10 C53 C54 -171.1(5) . . . . ?
Eu2 O13 C79X C80X 92.5(17) . . . . ?
Eu2 O13 C79 C80 -85.7(17) . . . . ?
Si1 C5 C6 C7 179.4(3) . . . . ?
Si1 C8 C13 C12 -175.0(3) . . . . ?
Si1 C15 C16 C17 177.8(4) . . . . ?
Si1 C21 C22 C23 176.7(9) . . . . ?
Si1 C21X C22X C23X -176.1(9) . . . . ?
Si2 C31 C30 C29 172.0(3) . . . . ?
Si2 C34 C35 C36 -170.6(3) . . . . ?
Si2 C41 C42 C43 -176.3(6) . . . . ?
Si2 C41 C46 C45 176.4(6) . . . . ?
Si2 C47 C52 C51 168.2(8) . . . . ?
Si2 C47 C48 C49 -168.3(8) . . . . ?
Si2 C47X C52X C51X -176.3(8) . . . . ?
Si3 C57 C58 C59 -173.2(4) . . . . ?
Si3 C60 C65 C64 -178.2(3) . . . . ?
Si3 C67 C72 C71 -173.2(8) . . . . ?
Si3 C73X C78X C77X -175.7(11) . . . . ?
Si3 C73X C74X C75X 175.6(11) . . . . ?
Si3 C73 C78 C77 -174.3(11) . . . . ?
O1 C1 C2 C3 -0.9(6) . . . . ?
O1 C1 C2 C7 175.9(4) . . . . ?
O2 C1 C2 C3 -179.5(4) . . . . ?
O2 C1 C2 C7 -2.6(6) . . . . ?
O5 C27 C28 C33 -140.4(5) . . . . ?
O5 C27 C28 C29 38.4(7) . . . . ?
O6 C27 C28 C33 38.1(7) . . . . ?
O6 C27 C28 C29 -143.2(5) . . . . ?
O9 C53 C54 C59 -161.3(5) . . . . ?
O9 C53 C54 C55 15.5(8) . . . . ?
O10 C53 C54 C59 18.2(8) . . . . ?
O10 C53 C54 C55 -165.0(5) . . . . ?
C3 C4 C5 Si1 -179.4(3) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C3 C2 C1 176.8(4) . . . . ?
C4 C3 C2 C7 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 Si1 C8 C9 148.8(3) . . . . ?
C5 Si1 C8 C13 -36.1(3) . . . . ?
C5 Si1 C15 C20 119.8(3) . . . . ?
C5 Si1 C15 C16 -58.0(3) . . . . ?
C5 Si1 C21 C26 -51.7(7) . . . . ?
C5 Si1 C21 C22 131.5(6) . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C6 C7 C2 C1 -176.8(4) . . . . ?
C6 C7 C2 C3 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C10 C9 C8 Si1 175.1(3) . . . . ?
C10 C9 C8 C13 0.0 . . . . ?
C10 C11 C14 Eu2 169.9(8) . . . . ?
C10 C11 C14 O3 -169.6(4) . . . . ?
C10 C11 C14 O4 11.3(7) . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C9 C10 C11 C14 -173.3(5) . . . . ?
C9 C8 C13 C12 0.0 . . . . ?
C8 Si1 C15 C20 -119.6(3) . . . . ?
C8 Si1 C15 C16 62.6(3) . . . . ?
C8 Si1 C21 C26 -168.7(5) . . . . ?
C8 Si1 C21 C22 14.5(7) . . . . ?
C8 C13 C12 C11 0.0 . . . . ?
C13 C12 C11 C10 0.0 . . . . ?
C13 C12 C11 C14 173.2(5) . . . . ?
C12 C11 C14 Eu2 -3.3(12) . . . . ?
C12 C11 C14 O3 17.2(7) . . . . ?
C12 C11 C14 O4 -162.0(5) . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C18 C19 C20 C15 0.0 . . . . ?
C19 C18 C17 C16 0.0 . . . . ?
C19 C20 C15 Si1 -177.9(4) . . . . ?
C19 C20 C15 C16 0.0 . . . . ?
C20 C15 C16 C17 0.0 . . . . ?
C15 Si1 C8 C9 26.5(3) . . . . ?
C15 Si1 C8 C13 -158.4(3) . . . . ?
C15 Si1 C21 C26 74.8(7) . . . . ?
C15 Si1 C21 C22 -102.0(6) . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C23 C22 C21 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C25 C26 C21 Si1 -176.8(9) . . . . ?
C25 C26 C21 C22 0.0 . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
C21 Si1 C8 C9 -94.4(5) . . . . ?
C21 Si1 C8 C13 80.6(5) . . . . ?
C21 Si1 C15 C20 -5.0(5) . . . . ?
C21 Si1 C15 C16 177.2(4) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C24X C25X C26X C21X 0.0 . . . . ?
C25X C24X C23X C22X 0.0 . . . . ?
C25X C26X C21X Si1 176.2(9) . . . . ?
C25X C26X C21X C22X 0.0 . . . . ?
C26X C21X C22X C23X 0.0 . . . . ?
C21X Si1 C8 C9 -93.2(5) . . . . ?
C21X Si1 C8 C13 81.9(5) . . . . ?
C21X Si1 C15 C20 6.5(5) . . . . ?
C21X Si1 C15 C16 -171.4(4) . . . . ?
C21X C22X C23X C24X 0.0 . . . . ?
C23X C24X C25X C26X 0.0 . . . . ?
C33 C32 C31 Si2 -172.1(3) . . . . ?
C33 C32 C31 C30 0.0 . . . . ?
C32 C33 C28 C27 178.8(4) . . . . ?
C32 C33 C28 C29 0.0 . . . . ?
C32 C31 C30 C29 0.0 . . . . ?
C31 Si2 C34 C39 -10.7(4) . . . . ?
C31 Si2 C34 C35 159.7(3) . . . . ?
C31 Si2 C41 C42 57.1(6) . . . . ?
C31 Si2 C41 C46 -119.7(5) . . . . ?
C31 Si2 C47 C52 -104.6(5) . . . . ?
C31 Si2 C47 C48 63.7(6) . . . . ?
C31 C30 C29 C28 0.0 . . . . ?
C30 C29 C28 C27 -178.7(4) . . . . ?
C30 C29 C28 C33 0.0 . . . . ?
C28 C33 C32 C31 0.0 . . . . ?
C38 C39 C34 Si2 170.2(4) . . . . ?
C38 C39 C34 C35 0.0 . . . . ?
C38 C37 C40 O7 -10.5(7) . . . . ?
C38 C37 C40 O8 170.8(5) . . . . ?
C39 C38 C37 C36 0.0 . . . . ?
C39 C38 C37 C40 -172.7(5) . . . . ?
C39 C34 C35 C36 0.0 . . . . ?
C34 Si2 C31 C32 -39.3(3) . . . . ?
C34 Si2 C31 C30 148.6(3) . . . . ?
C34 Si2 C41 C42 -64.4(6) . . . . ?
C34 Si2 C41 C46 118.8(5) . . . . ?
C34 Si2 C47 C52 12.6(7) . . . . ?
C34 Si2 C47 C48 -179.1(5) . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C35 C36 C37 C40 172.7(5) . . . . ?
C36 C37 C40 O7 176.8(5) . . . . ?
C36 C37 C40 O8 -2.0(8) . . . . ?
C37 C38 C39 C34 0.0 . . . . ?
C41 Si2 C31 C32 -163.0(3) . . . . ?
C41 Si2 C31 C30 25.0(3) . . . . ?
C41 Si2 C34 C39 110.3(4) . . . . ?
C41 Si2 C34 C35 -79.3(4) . . . . ?
C41 Si2 C47 C52 141.0(5) . . . . ?
C41 Si2 C47 C48 -50.7(6) . . . . ?
C41 C42 C43 C44 -0.9(13) . . . . ?
C42 C41 C46 C45 -0.5(11) . . . . ?
C42 C43 C44 C45 0.7(13) . . . . ?
C43 C44 C45 C46 -0.5(13) . . . . ?
C44 C45 C46 C41 0.4(13) . . . . ?
C46 C41 C42 C43 0.8(11) . . . . ?
C47 Si2 C31 C32 81.3(4) . . . . ?
C47 Si2 C31 C30 -90.7(4) . . . . ?
C47 Si2 C34 C39 -122.8(5) . . . . ?
C47 Si2 C34 C35 47.7(5) . . . . ?
C47 Si2 C41 C42 166.5(6) . . . . ?
C47 Si2 C41 C46 -10.3(7) . . . . ?
C47 C52 C51 C50 0.0 . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C51X C50X C49X C48X 0.0 . . . . ?
C50X C51X C52X C47X 0.0 . . . . ?
C50X C49X C48X C47X 0.0 . . . . ?
C49X C48X C47X Si2 176.4(8) . . . . ?
C49X C48X C47X C52X 0.0 . . . . ?
C48X C47X C52X C51X 0.0 . . . . ?
C47X Si2 C31 C32 74.6(4) . . . . ?
C47X Si2 C31 C30 -97.5(4) . . . . ?
C47X Si2 C34 C39 -127.8(5) . . . . ?
C47X Si2 C34 C35 42.6(5) . . . . ?
C47X Si2 C41 C42 178.0(6) . . . . ?
C47X Si2 C41 C46 1.3(7) . . . . ?
C52X C51X C50X C49X 0.0 . . . . ?
C53 C54 C55 C56 -176.8(5) . . . . ?
C59 C54 C55 C56 0.0 . . . . ?
C54 C59 C58 C57 0.0 . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C55 C56 C57 Si3 173.3(4) . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C57 Si3 C67X C72X -147.2(5) . . . . ?
C57 Si3 C67X C68X 29.6(7) . . . . ?
C57 Si3 C73 C74 28.4(9) . . . . ?
C57 Si3 C73 C78 -157.3(6) . . . . ?
C58 C59 C54 C53 176.8(5) . . . . ?
C58 C59 C54 C55 0.0 . . . . ?
C64 C63 C62 C61 0.0 . . . . ?
C64 C63 C66 Eu1 -142.4(17) . . . 1_565 ?
C64 C63 C66 O11 -169.2(4) . . . . ?
C64 C63 C66 O12 11.5(7) . . . . ?
C63 C64 C65 C60 0.0 . . . . ?
C63 C62 C61 C60 0.0 . . . . ?
C62 C63 C66 Eu1 33(2) . . . 1_565 ?
C62 C63 C66 O11 5.7(6) . . . . ?
C62 C63 C66 O12 -173.6(4) . . . . ?
C62 C61 C60 Si3 178.2(3) . . . . ?
C62 C61 C60 C65 0.0 . . . . ?
C61 C60 C65 C64 0.0 . . . . ?
C60 Si3 C67X C72X -22.3(7) . . . . ?
C60 Si3 C67X C68X 154.5(6) . . . . ?
C60 Si3 C73 C74 -96.5(8) . . . . ?
C60 Si3 C73 C78 77.8(8) . . . . ?
C65 C64 C63 C62 0.0 . . . . ?
C65 C64 C63 C66 174.8(4) . . . . ?
C66 C63 C62 C61 -175.0(4) . . . . ?
C68 C67 C72 C71 0.0 . . . . ?
C67 C68 C69 C70 0.0 . . . . ?
C67 C72 C71 C70 0.0 . . . . ?
C72 C71 C70 C69 0.0 . . . . ?
C71 C70 C69 C68 0.0 . . . . ?
C69 C68 C67 Si3 173.0(8) . . . . ?
C69 C68 C67 C72 0.0 . . . . ?
C72X C71X C70X C69X 0.0 . . . . ?
C71X C72X C67X Si3 176.8(8) . . . . ?
C71X C72X C67X C68X 0.0 . . . . ?
C71X C70X C69X C68X 0.0 . . . . ?
C70X C69X C68X C67X 0.0 . . . . ?
C69X C68X C67X Si3 -176.8(8) . . . . ?
C69X C68X C67X C72X 0.0 . . . . ?
C67X Si3 C73 C74 145.5(8) . . . . ?
C67X Si3 C73 C78 -40.1(8) . . . . ?
C67X C72X C71X C70X 0.0 . . . . ?
C73X C78X C77X C76X 0.0 . . . . ?
C78X C73X C74X C75X 0.0 . . . . ?
C78X C77X C76X C75X 0.0 . . . . ?
C77X C76X C75X C74X 0.0 . . . . ?
C76X C75X C74X C73X 0.0 . . . . ?
C74X C73X C78X C77X 0.0 . . . . ?
C77 C76 C75 C74 0.0 . . . . ?
C76 C77 C78 C73 0.0 . . . . ?
C76 C75 C74 C73 0.0 . . . . ?
C75 C74 C73 Si3 174.4(11) . . . . ?
C75 C74 C73 C78 0.0 . . . . ?
C74 C73 C78 C77 0.0 . . . . ?
C73 Si3 C67X C72X 95.6(7) . . . . ?
C73 Si3 C67X C68X -87.6(8) . . . . ?
C78 C77 C76 C75 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.500 222.6 52.9 ?
2 0.304 0.776 0.337 14.7 1.8 ?
3 0.696 0.224 0.663 14.7 1.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.043
_oxdiff_exptl_absorpt_empirical_full_min 0.930
