# Supplementary Information (SI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_Li@Eu-C2O4
_database_code_depnum_ccdc_archive 'CCDC 2376909'
loop_
_audit_author_name
_audit_author_address
'Wenhao Huang'
;Nankai University
China
;
_audit_update_record             
;
2024-08-11 deposited with the CCDC.	2024-09-09 downloaded from the CCDC.
;
_audit_creation_date             2024-08-11
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.5(C8 Eu4 Li8 O24)'
_chemical_formula_sum            'C4 Eu2 Li4 O12'
_chemical_formula_weight         571.72
_chemical_melting_point          ?
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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'

_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      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.9539(8)
_cell_length_b                   15.2398(13)
_cell_length_c                   4.8359(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     586.19(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    930
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.3090
_cell_measurement_theta_min      2.6630
_shelx_estimated_absorpt_T_max   0.901
_shelx_estimated_absorpt_T_min   0.076
_exptl_absorpt_coefficient_mu    10.660
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    3.239
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            1184
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.476
_diffrn_reflns_theta_min         2.673
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00 -35.00   0.50    2.00    --   20.00  54.00  90.00   66
  2  ω     24.00 107.00   0.50    2.00    --   20.00  54.00  90.00  166
  3  ω    -18.00   7.00   0.50    2.00    --   20.00  54.00 -30.00   50
  4  ω    -44.00 101.00   0.50    2.00    --   20.00  54.00-120.00  290
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0071021000
_diffrn_orient_matrix_UB_12      -0.0356877000
_diffrn_orient_matrix_UB_13      -0.0934298000
_diffrn_orient_matrix_UB_21      0.0293023000
_diffrn_orient_matrix_UB_22      0.0270932000
_diffrn_orient_matrix_UB_23      -0.1091943000
_diffrn_orient_matrix_UB_31      0.0838918000
_diffrn_orient_matrix_UB_32      -0.0124770000
_diffrn_orient_matrix_UB_33      0.0300432000
_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              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                355
_reflns_number_total             379
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.653
_refine_diff_density_min         -3.076
_refine_diff_density_rms         0.439
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         379
_refine_ls_number_restraints     73
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0356
_refine_ls_restrained_S_all      1.131
_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)+(0.0502P)²+26.2174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.1011
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Restrained distances
 O0AA-Li3
 1.92 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within -2.5A with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O002) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.016
Uanis(Li3) \\sim Ueq: with sigma of 0.007 and sigma for terminal atoms of 0.014
3. Others
 Fixed Sof: O0AA(0.25) Li3(0.4375) C2(0.25) Li1(0.0625)
4.a Riding coordinates:
 O0AA(Li3)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_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
Eu01 Eu 0.5000 0.70722(5) 0.5000 0.0076(3) Uani 1 4 d S TU P . .
O002 O 0.7500 0.7500 0.7652(18) 0.0185(18) Uani 1 2 d S TU P . .
O003 O 0.3328(12) 0.5737(6) 0.5000 0.025(2) Uani 1 2 d S TU P . .
C004 C 0.403(2) 0.5000 0.5000 0.020(3) Uani 1 4 d S TU P . .
O005 O 0.5000 0.8665(10) 0.5000 0.039(3) Uani 1 4 d S TU P . .
O0AA O 0.943(2) 0.8187(11) 1.0000 0.020(3) Uani 0.5 2 d DS TU P . .
Li3 Li 0.817(2) 0.9215(11) 1.0984 0.032(5) Uani 0.4375 1 d DR U . . .
C2 C 0.803(4) 0.7746(18) 1.0000 0.022(3) Uani 0.5 2 d S TU P . .
Li1 Li 0.5000 1.0000 0.5000 0.042(7) Uani 0.5 8 d S TU 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
Eu01 O002 2.454(5) . ?
Eu01 O002 2.454(5) 15_465 ?
Eu01 O002 2.454(5) 13_666 ?
Eu01 O002 2.454(5) 3_656 ?
Eu01 O003 2.431(9) . ?
Eu01 O003 2.431(9) 3_656 ?
Eu01 O005 2.427(15) . ?
Eu01 O0AA 2.492(4) 13_667 ?
Eu01 O0AA 2.492(4) 13_666 ?
Eu01 O0AA 2.492(4) 15_464 ?
Eu01 O0AA 2.492(4) 15_465 ?
Eu01 Li3 3.122(14) 15_464 ?
O002 Eu01 2.454(4) 13_666 ?
O002 C2 1.267(15) 6_665 ?
O002 C2 1.267(15) . ?
O002 C2 1.267(15) 13_667 ?
O003 C004 1.254(12) . ?
O003 Li3 1.9479(15) 15_464 ?
O003 Li3 1.9479(15) 8_467 ?
C004 Eu01 3.251(4) 9_666 ?
C004 O003 1.254(12) 11_565 ?
C004 C004 1.54(4) 9_666 ?
O005 Li1 2.034(15) . ?
O0AA Eu01 2.492(4) 13_667 ?
O0AA Eu01 2.492(4) 13_666 ?
O0AA Li3 1.9208 10_557 ?
O0AA Li3 1.9208 . ?
O0AA C2 1.30(3) . ?
Li3 Eu01 3.787(11) 13_666 ?
Li3 Eu01 3.122(14) 13_667 ?
Li3 O003 1.9479(15) 15_566 ?
Li3 C004 2.382(11) 5_556 ?
Li3 O0AA 2.52(3) 12_755 ?
Li3 O0AA 2.52(3) 3_757 ?
C2 Eu01 2.895(16) 13_667 ?
C2 Eu01 2.895(16) 13_666 ?
C2 O002 1.267(15) 13_667 ?
Li1 O005 2.034(15) 9_676 ?
Li1 Li3 3.399(14) 10_557 ?
Li1 Li3 3.399(14) 9_677 ?
Li1 Li3 3.399(14) 12_654 ?
Li1 Li3 3.399(14) 1_554 ?
Li1 Li3 3.399(14) 2_674 ?
Li1 Li3 3.399(14) 4_577 ?
Li1 Li3 3.399(14) 11_574 ?
Li1 Li3 3.399(14) 3_657 ?

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
O002 Eu01 O002 149.19(7) . 3_656 ?
O002 Eu01 O002 63.0(3) 3_656 15_465 ?
O002 Eu01 O002 108.2(3) . 15_465 ?
O002 Eu01 O002 63.0(3) . 13_666 ?
O002 Eu01 O002 108.2(3) 3_656 13_666 ?
O002 Eu01 O002 149.19(7) 13_666 15_465 ?
O002 Eu01 O0AA 113.7(4) 13_666 13_667 ?
O002 Eu01 O0AA 52.2(4) 15_465 15_465 ?
O002 Eu01 O0AA 113.7(4) 3_656 15_465 ?
O002 Eu01 O0AA 113.7(4) . 13_666 ?
O002 Eu01 O0AA 134.2(4) 3_656 13_667 ?
O002 Eu01 O0AA 52.2(4) 13_666 13_666 ?
O002 Eu01 O0AA 71.5(4) 15_465 13_667 ?
O002 Eu01 O0AA 134.2(4) . 15_464 ?
O002 Eu01 O0AA 71.5(4) 3_656 13_666 ?
O002 Eu01 O0AA 52.2(4) 3_656 15_464 ?
O002 Eu01 O0AA 71.5(4) . 15_465 ?
O002 Eu01 O0AA 71.5(4) 13_666 15_464 ?
O002 Eu01 O0AA 134.2(4) 13_666 15_465 ?
O002 Eu01 O0AA 113.7(4) 15_465 15_464 ?
O002 Eu01 O0AA 52.2(4) . 13_667 ?
O002 Eu01 O0AA 134.2(4) 15_465 13_666 ?
O002 Eu01 Li3 57.6(3) 3_656 15_464 ?
O002 Eu01 Li3 102.7(3) 13_666 15_464 ?
O002 Eu01 Li3 150.5(3) . 15_464 ?
O002 Eu01 Li3 96.5(3) 15_465 15_464 ?
O003 Eu01 O002 131.73(18) 3_656 3_656 ?
O003 Eu01 O002 77.24(19) 3_656 13_666 ?
O003 Eu01 O002 77.24(19) 3_656 . ?
O003 Eu01 O002 77.24(19) . 3_656 ?
O003 Eu01 O002 131.73(18) . . ?
O003 Eu01 O002 131.73(18) . 13_666 ?
O003 Eu01 O002 131.73(18) 3_656 15_465 ?
O003 Eu01 O002 77.24(19) . 15_465 ?
O003 Eu01 O003 66.3(4) . 3_656 ?
O003 Eu01 O0AA 88.1(4) . 13_666 ?
O003 Eu01 O0AA 88.1(4) . 13_667 ?
O003 Eu01 O0AA 76.6(4) . 15_465 ?
O003 Eu01 O0AA 76.6(4) . 15_464 ?
O003 Eu01 O0AA 76.6(4) 3_656 13_666 ?
O003 Eu01 O0AA 76.6(4) 3_656 13_667 ?
O003 Eu01 O0AA 88.1(4) 3_656 15_464 ?
O003 Eu01 O0AA 88.1(4) 3_656 15_465 ?
O003 Eu01 Li3 38.6(2) . 15_464 ?
O003 Eu01 Li3 74.3(3) 3_656 15_464 ?
O005 Eu01 O002 74.60(3) . . ?
O005 Eu01 O002 74.60(3) . 13_666 ?
O005 Eu01 O002 74.60(3) . 15_465 ?
O005 Eu01 O002 74.60(3) . 3_656 ?
O005 Eu01 O003 146.8(2) . 3_656 ?
O005 Eu01 O003 146.8(2) . . ?
O005 Eu01 O0AA 99.1(4) . 15_464 ?
O005 Eu01 O0AA 99.1(4) . 13_667 ?
O005 Eu01 O0AA 99.1(4) . 15_465 ?
O005 Eu01 O0AA 99.1(4) . 13_666 ?
O005 Eu01 Li3 128.9(3) . 15_464 ?
O0AA Eu01 O0AA 152.1(8) 15_464 15_465 ?
O0AA Eu01 O0AA 152.1(8) 13_667 13_666 ?
O0AA Eu01 O0AA 161.8(8) 13_666 15_465 ?
O0AA Eu01 O0AA 161.8(8) 15_464 13_667 ?
O0AA Eu01 O0AA 21.0(8) 15_464 13_666 ?
O0AA Eu01 O0AA 21.0(8) 13_667 15_465 ?
O0AA Eu01 Li3 37.97(19) 15_464 15_464 ?
O0AA Eu01 Li3 51.8(5) 13_666 15_464 ?
O0AA Eu01 Li3 114.8(6) 15_465 15_464 ?
O0AA Eu01 Li3 126.1(6) 13_667 15_464 ?
Eu01 O002 Eu01 117.0(3) 13_666 . ?
C2 O002 Eu01 144.6(13) 13_667 13_666 ?
C2 O002 Eu01 144.6(13) . . ?
C2 O002 Eu01 97.0(12) 6_665 . ?
C2 O002 Eu01 144.6(13) 6_665 13_666 ?
C2 O002 Eu01 97.0(12) . 13_666 ?
C2 O002 Eu01 97.0(12) 13_667 . ?
C2 O002 C2 53(2) . 6_665 ?
C2 O002 C2 53(2) . 13_667 ?
C2 O002 C2 0(3) 13_667 6_665 ?
C004 O003 Eu01 120.4(9) . . ?
C004 O003 Li3 93.6(6) . 8_467 ?
C004 O003 Li3 93.6(6) . 15_464 ?
Li3 O003 Eu01 90.2(6) 15_464 . ?
Li3 O003 Eu01 90.2(6) 8_467 . ?
Li3 O003 Li3 171.3(11) 15_464 8_467 ?
Eu01 C004 Eu01 152.6(6) . 9_666 ?
O003 C004 Eu01 40.2(6) 11_565 9_666 ?
O003 C004 Eu01 167.2(11) 11_565 . ?
O003 C004 Eu01 40.2(6) . . ?
O003 C004 Eu01 167.2(11) . 9_666 ?
O003 C004 O003 127.0(17) 11_565 . ?
O003 C004 C004 116.5(8) 11_565 9_666 ?
O003 C004 C004 116.5(8) . 9_666 ?
C004 C004 Eu01 76.3(3) 9_666 . ?
C004 C004 Eu01 76.3(3) 9_666 9_666 ?
Li1 O005 Eu01 180.0 . . ?
Eu01 O0AA Eu01 152.1(8) 13_666 13_667 ?
Li3 O0AA Eu01 117.7(4) 10_557 13_667 ?
Li3 O0AA Eu01 117.7(4) . 13_666 ?
Li3 O0AA Eu01 89.1(4) . 13_667 ?
Li3 O0AA Eu01 89.1(4) 10_557 13_666 ?
Li3 O0AA Li3 28.7 . 10_557 ?
C2 O0AA Eu01 94.3(5) . 13_667 ?
C2 O0AA Eu01 94.3(5) . 13_666 ?
C2 O0AA Li3 88.5(15) . 10_557 ?
C2 O0AA Li3 88.5(15) . . ?
Eu01 Li3 Eu01 88.3(4) 13_667 13_666 ?
O003 Li3 Eu01 51.2(4) 15_566 13_667 ?
O003 Li3 Eu01 139.1(8) 15_566 13_666 ?
O003 Li3 C004 31.7(3) 15_566 5_556 ?
O003 Li3 O0AA 99.3(7) 15_566 3_757 ?
O003 Li3 O0AA 99.3(7) 15_566 12_755 ?
C004 Li3 Eu01 140.5(7) 5_556 13_666 ?
C004 Li3 Eu01 71.0(3) 5_556 13_667 ?
C004 Li3 O0AA 104.4(9) 5_556 12_755 ?
C004 Li3 O0AA 104.4(9) 5_556 3_757 ?
O0AA Li3 Eu01 52.9(2) . 13_667 ?
O0AA Li3 Eu01 40.62(10) 12_755 13_666 ?
O0AA Li3 Eu01 51.1(2) 3_757 13_667 ?
O0AA Li3 Eu01 35.6(2) . 13_666 ?
O0AA Li3 Eu01 51.1(2) 12_755 13_667 ?
O0AA Li3 Eu01 40.62(10) 3_757 13_666 ?
O0AA Li3 O003 104.1(6) . 15_566 ?
O0AA Li3 C004 117.5(5) . 5_556 ?
O0AA Li3 O0AA 17.9(5) . 12_755 ?
O0AA Li3 O0AA 17.9(5) . 3_757 ?
O0AA Li3 O0AA 0.0(8) 3_757 12_755 ?
Eu01 C2 Eu01 113.3(10) 13_667 13_666 ?
O002 C2 Eu01 163.0(19) 13_667 13_666 ?
O002 C2 Eu01 57.3(8) . 13_666 ?
O002 C2 Eu01 163.0(19) . 13_667 ?
O002 C2 Eu01 57.3(8) 13_667 13_667 ?
O002 C2 O002 127(2) 13_667 . ?
O002 C2 O0AA 115.9(12) 13_667 . ?
O002 C2 O0AA 115.9(12) . . ?
O0AA C2 Eu01 59.1(6) . 13_667 ?
O0AA C2 Eu01 59.1(6) . 13_666 ?
O005 Li1 O005 180.0 9_676 . ?
O005 Li1 Li3 69.4(3) . 3_657 ?
O005 Li1 Li3 69.4(3) 9_676 4_577 ?
O005 Li1 Li3 110.6(3) 9_676 12_654 ?
O005 Li1 Li3 69.4(3) . 1_554 ?
O005 Li1 Li3 69.4(3) . 12_654 ?
O005 Li1 Li3 110.6(3) 9_676 10_557 ?
O005 Li1 Li3 69.4(3) 9_676 2_674 ?
O005 Li1 Li3 110.6(3) 9_676 1_554 ?
O005 Li1 Li3 110.6(3) . 2_674 ?
O005 Li1 Li3 69.4(3) 9_676 9_677 ?
O005 Li1 Li3 69.4(3) 9_676 11_574 ?
O005 Li1 Li3 110.6(3) . 4_577 ?
O005 Li1 Li3 110.6(3) . 11_574 ?
O005 Li1 Li3 69.4(3) . 10_557 ?
O005 Li1 Li3 110.6(3) 9_676 3_657 ?
O005 Li1 Li3 110.6(3) . 9_677 ?
Li3 Li1 Li3 95.7(4) 12_654 1_554 ?
Li3 Li1 Li3 110.3(3) 3_657 4_577 ?
Li3 Li1 Li3 95.7(4) 3_657 10_557 ?
Li3 Li1 Li3 110.3(3) 2_674 1_554 ?
Li3 Li1 Li3 95.7(4) 2_674 11_574 ?
Li3 Li1 Li3 41.2(6) 11_574 1_554 ?
Li3 Li1 Li3 138.8(6) 2_674 4_577 ?
Li3 Li1 Li3 138.8(6) 3_657 1_554 ?
Li3 Li1 Li3 95.7(4) 9_677 4_577 ?
Li3 Li1 Li3 110.3(3) 12_654 11_574 ?
Li3 Li1 Li3 180.0 2_674 10_557 ?
Li3 Li1 Li3 41.2(6) 4_577 10_557 ?
Li3 Li1 Li3 110.3(3) 9_677 10_557 ?
Li3 Li1 Li3 84.3(4) 12_654 9_677 ?
Li3 Li1 Li3 69.7(3) 11_574 4_577 ?
Li3 Li1 Li3 69.7(3) 2_674 9_677 ?
Li3 Li1 Li3 84.3(4) 1_554 4_577 ?
Li3 Li1 Li3 138.8(6) 11_574 9_677 ?
Li3 Li1 Li3 180.0 11_574 3_657 ?
Li3 Li1 Li3 41.2(6) 3_657 9_677 ?
Li3 Li1 Li3 138.8(6) 12_654 10_557 ?
Li3 Li1 Li3 180.0 1_554 9_677 ?
Li3 Li1 Li3 84.3(4) 11_574 10_557 ?
Li3 Li1 Li3 69.7(3) 12_654 3_657 ?
Li3 Li1 Li3 69.7(3) 1_554 10_557 ?
Li3 Li1 Li3 84.3(4) 2_674 3_657 ?
Li3 Li1 Li3 41.2(6) 12_654 2_674 ?
Li3 Li1 Li3 180.0 12_654 4_577 ?

_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 2.116
_oxdiff_exptl_absorpt_empirical_full_min 0.727
####################################################################### 
# 
# 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_eu-c2o4
_database_code_depnum_ccdc_archive 'CCDC 2376910'
loop_
_audit_author_name
_audit_author_address
'Wenhao Huang'
;Nankai university
China
;
_audit_update_record             
;
2024-08-11 deposited with the CCDC.	2024-09-09 downloaded from the CCDC.
;
_audit_creation_date             2024-08-11
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.25(C8 H8 Eu4 O24)'
_chemical_formula_sum            'C2 H2 Eu O6'
_chemical_formula_weight         274.00
_chemical_melting_point          ?
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'

_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      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.9438(8)
_cell_length_b                   15.1693(16)
_cell_length_c                   4.8115(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     579.79(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    513
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.0420
_cell_measurement_theta_min      2.8840
_shelx_estimated_absorpt_T_max   0.738
_shelx_estimated_absorpt_T_min   0.412
_exptl_absorpt_coefficient_mu    10.776
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.60a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    3.139
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            1116
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.498
_diffrn_reflns_theta_min         2.685
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_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      8.00  50.00   0.50    9.00    --   20.00  54.00 120.00   84
  2  ω    -71.00 -19.00   0.50    9.00    --   20.00  54.00-120.00  104
  3  ω    -74.00 -48.00   0.50    9.00    --   20.00  54.00  30.00   52
  4  ω    -20.00 107.00   0.50    9.00    --   20.00  54.00  30.00  254
  5  ω    -26.00  -1.00   0.50    9.00    --   20.00  54.00 120.00   50
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0545175000
_diffrn_orient_matrix_UB_12      -0.0109813000
_diffrn_orient_matrix_UB_13      -0.1116010000
_diffrn_orient_matrix_UB_21      -0.0697528000
_diffrn_orient_matrix_UB_22      0.0004793000
_diffrn_orient_matrix_UB_23      0.0921256000
_diffrn_orient_matrix_UB_31      -0.0123993000
_diffrn_orient_matrix_UB_32      0.0453823000
_diffrn_orient_matrix_UB_33      -0.0282743000
_diffrn_oxdiff_digest_frames     
;
01a8457a3e107430b9b63da250b099b343000259136
;
_diffrn_oxdiff_digest_hkl        
;
01baea3b1509c09f1b84290298eba122b2f130
;
_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              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                347
_reflns_number_total             375
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.690
_refine_diff_density_min         -1.521
_refine_diff_density_rms         0.238
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         375
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0279
_refine_ls_restrained_S_all      1.130
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0367P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0655
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 H3_$16-H3
 1.35 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
O3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C007) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.016
4. Others
 Fixed Sof: C007(0.25) O2(0.25) H3(0.5)
5.a Rotating group:
 O3(H3)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_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
Eu01 Eu 0.5000 0.29272(4) 1.0000 0.0136(2) Uani 1 4 d S T P . .
O003 O 0.6674(8) 0.4260(4) 1.0000 0.0346(17) Uani 1 2 d S T P . .
C004 C 0.5969(15) 0.5000 1.0000 0.023(3) Uani 1 4 d S T P . .
C007 C 0.302(2) 0.2751(10) 0.5000 0.018(3) Uani 0.5 2 d S TU P . .
O1 O 0.2500 0.2500 0.7334(12) 0.0278(14) Uani 1 2 d S T P . .
O2 O 0.4438(14) 0.3182(7) 0.5000 0.021(3) Uani 0.5 2 d S T P . .
O3 O 0.5000 0.1327(5) 1.0000 0.055(3) Uani 1 4 d S TU P . .
H3 H 0.5850 0.0992 1.1280 0.082 Uiso 0.5 1 d DGR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O003 2.420(6) 3_657 ?
Eu01 O003 2.420(6) . ?
Eu01 O1 2.451(3) 15 ?
Eu01 O1 2.451(3) 3_657 ?
Eu01 O1 2.451(3) . ?
Eu01 O1 2.451(3) 13_557 ?
Eu01 O2 2.477(3) . ?
Eu01 O2 2.477(3) 12_655 ?
Eu01 O2 2.477(3) 3_656 ?
Eu01 O2 2.477(3) 1_556 ?
Eu01 O2 2.477(3) 3_657 ?
Eu01 O3 2.427(8) . ?
O003 C004 1.254(8) 11_565 ?
O003 C004 1.254(8) 10_557 ?
O003 C004 1.254(8) 4_567 ?
O003 C004 1.254(8) . ?
C004 Eu01 3.237(3) 9_667 ?
C004 O003 1.254(8) 11_565 ?
C004 C004 1.54(2) 2_665 ?
C004 C004 1.54(2) 3_657 ?
C004 C004 1.54(2) 9_667 ?
C004 C004 0.00000(6) 10_557 ?
C004 C004 1.54(2) 12_655 ?
C004 C004 0.00000(6) 4_567 ?
C004 C004 0.00000(6) 11_565 ?
C007 Eu01 2.887(9) 1_554 ?
C007 C007 0.00000(4) 10_556 ?
C007 O1 1.255(8) 13_556 ?
C007 O1 1.255(8) . ?
C007 O2 1.30(2) . ?
O1 Eu01 2.451(3) 15_455 ?
O1 Eu01 2.451(3) 6 ?
O1 Eu01 2.451(3) 8_457 ?
O1 C007 1.255(8) 10_556 ?
O1 C007 1.255(8) 13_556 ?
O1 C007 1.255(8) 6 ?
O2 Eu01 2.477(3) 1_554 ?
O2 C007 1.30(2) 10_556 ?

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
O003 Eu01 O003 66.7(3) 3_657 . ?
O003 Eu01 O1 77.04(12) . 3_657 ?
O003 Eu01 O1 131.76(12) . 13_557 ?
O003 Eu01 O1 77.04(12) 3_657 . ?
O003 Eu01 O1 77.04(12) 3_657 13_557 ?
O003 Eu01 O1 131.76(12) . . ?
O003 Eu01 O1 131.76(12) 3_657 15 ?
O003 Eu01 O1 131.76(12) 3_657 3_657 ?
O003 Eu01 O1 77.04(12) . 15 ?
O003 Eu01 O2 76.7(3) 3_657 . ?
O003 Eu01 O2 88.2(2) 3_657 3_657 ?
O003 Eu01 O2 88.2(2) 3_657 3_656 ?
O003 Eu01 O2 88.2(2) . . ?
O003 Eu01 O2 76.7(3) . 3_657 ?
O003 Eu01 O2 76.7(3) 3_657 1_556 ?
O003 Eu01 O2 76.7(3) . 3_656 ?
O003 Eu01 O2 88.2(2) . 1_556 ?
O003 Eu01 O2 88.2(2) 3_657 12_655 ?
O003 Eu01 O2 76.7(3) . 12_655 ?
O003 Eu01 O3 146.67(14) . . ?
O003 Eu01 O3 146.67(14) 3_657 . ?
O1 Eu01 O1 149.34(5) 13_557 15 ?
O1 Eu01 O1 63.1(2) 3_657 15 ?
O1 Eu01 O1 149.34(5) . 3_657 ?
O1 Eu01 O1 108.22(19) 3_657 13_557 ?
O1 Eu01 O1 63.1(2) . 13_557 ?
O1 Eu01 O1 108.22(19) . 15 ?
O1 Eu01 O2 52.2(3) 13_557 1_556 ?
O1 Eu01 O2 52.2(3) . . ?
O1 Eu01 O2 52.2(3) 15 3_656 ?
O1 Eu01 O2 134.1(3) 15 1_556 ?
O1 Eu01 O2 71.3(3) . 3_656 ?
O1 Eu01 O2 134.1(3) . 3_657 ?
O1 Eu01 O2 71.3(3) 3_657 1_556 ?
O1 Eu01 O2 71.3(3) 13_557 3_657 ?
O1 Eu01 O2 134.1(3) 3_657 . ?
O1 Eu01 O2 71.3(3) . 12_655 ?
O1 Eu01 O2 134.1(3) 13_557 3_656 ?
O1 Eu01 O2 113.8(3) 3_657 12_655 ?
O1 Eu01 O2 113.8(3) . 1_556 ?
O1 Eu01 O2 134.1(3) 13_557 12_655 ?
O1 Eu01 O2 52.2(3) 15 12_655 ?
O1 Eu01 O2 52.2(3) 3_657 3_657 ?
O1 Eu01 O2 113.8(3) 13_557 . ?
O1 Eu01 O2 113.8(3) 15 3_657 ?
O1 Eu01 O2 71.3(3) 15 . ?
O1 Eu01 O2 113.8(3) 3_657 3_656 ?
O2 Eu01 O2 20.8(5) . 3_656 ?
O2 Eu01 O2 152.4(5) 12_655 3_657 ?
O2 Eu01 O2 162.1(5) . 3_657 ?
O2 Eu01 O2 162.1(5) 1_556 3_656 ?
O2 Eu01 O2 152.4(5) . 1_556 ?
O2 Eu01 O2 0.0(5) 12_655 3_656 ?
O2 Eu01 O2 20.8(5) 1_556 3_657 ?
O2 Eu01 O2 152.4(5) 3_656 3_657 ?
O2 Eu01 O2 162.1(5) 1_556 12_655 ?
O2 Eu01 O2 20.8(5) . 12_655 ?
O3 Eu01 O1 74.67(2) . 15 ?
O3 Eu01 O1 74.67(2) . 3_657 ?
O3 Eu01 O1 74.67(2) . 13_557 ?
O3 Eu01 O1 74.67(2) . . ?
O3 Eu01 O2 99.0(2) . 3_656 ?
O3 Eu01 O2 99.0(2) . 12_655 ?
O3 Eu01 O2 99.0(2) . 3_657 ?
O3 Eu01 O2 99.0(3) . 1_556 ?
O3 Eu01 O2 99.0(3) . . ?
C004 O003 Eu01 120.2(6) 4_567 . ?
C004 O003 Eu01 120.2(6) 11_565 . ?
C004 O003 Eu01 120.2(6) . . ?
C004 O003 Eu01 120.2(6) 10_557 . ?
C004 O003 C004 0.0(10) 4_567 11_565 ?
C004 O003 C004 0.0(10) 4_567 . ?
C004 O003 C004 0.0(10) 10_557 11_565 ?
C004 O003 C004 0.0(10) . 11_565 ?
C004 O003 C004 0.0(10) 10_557 4_567 ?
C004 O003 C004 0.0(10) 10_557 . ?
O003 C004 Eu01 40.3(4) 11_565 9_667 ?
O003 C004 Eu01 167.3(7) . 9_667 ?
O003 C004 O003 127.0(11) 11_565 . ?
O003 C004 C004 116.5(5) 11_565 9_667 ?
O003 C004 C004 116.5(5) 11_565 12_655 ?
O003 C004 C004 116.5(6) . 3_657 ?
O003 C004 C004 116.5(6) . 9_667 ?
O003 C004 C004 116.5(5) 11_565 2_665 ?
O003 C004 C004 116.5(6) . 2_665 ?
O003 C004 C004 116.5(6) . 12_655 ?
O003 C004 C004 116.5(5) 11_565 3_657 ?
C004 C004 Eu01 76.2(2) 9_667 9_667 ?
C004 C004 Eu01 76.2(2) 3_657 9_667 ?
C004 C004 Eu01 76.2(2) 12_655 9_667 ?
C004 C004 Eu01 0(10) 10_557 9_667 ?
C004 C004 Eu01 76.2(2) 2_665 9_667 ?
C004 C004 Eu01 0(10) 4_567 9_667 ?
C004 C004 Eu01 0(10) 11_565 9_667 ?
C004 C004 O003 0(10) 4_567 . ?
C004 C004 O003 0(10) 11_565 11_565 ?
C004 C004 O003 0(10) 11_565 . ?
C004 C004 O003 0(10) 10_557 11_565 ?
C004 C004 O003 0(10) 4_567 11_565 ?
C004 C004 O003 0(10) 10_557 . ?
C004 C004 C004 0(10) 10_557 12_655 ?
C004 C004 C004 0(10) 4_567 11_565 ?
C004 C004 C004 0(10) 11_565 2_665 ?
C004 C004 C004 0(10) 4_567 12_655 ?
C004 C004 C004 0.000(1) 2_665 9_667 ?
C004 C004 C004 0.000(1) 12_655 2_665 ?
C004 C004 C004 0(10) 11_565 3_657 ?
C004 C004 C004 0.000(1) 3_657 2_665 ?
C004 C004 C004 0(10) 10_557 2_665 ?
C004 C004 C004 0(10) 10_557 9_667 ?
C004 C004 C004 0(10) 10_557 4_567 ?
C004 C004 C004 0(10) 4_567 9_667 ?
C004 C004 C004 0(10) 4_567 3_657 ?
C004 C004 C004 0(10) 11_565 9_667 ?
C004 C004 C004 0(10) 10_557 11_565 ?
C004 C004 C004 0(10) 11_565 12_655 ?
C004 C004 C004 0.000(1) 12_655 3_657 ?
C004 C004 C004 0.000(1) 12_655 9_667 ?
C004 C004 C004 0(10) 4_567 2_665 ?
C004 C004 C004 0.000(1) 3_657 9_667 ?
C004 C004 C004 0(10) 10_557 3_657 ?
C007 C007 Eu01 0(8) 10_556 1_554 ?
C007 C007 O1 0(10) 10_556 . ?
C007 C007 O1 0(10) 10_556 13_556 ?
C007 C007 O2 0(10) 10_556 . ?
O1 C007 Eu01 57.4(4) 13_556 1_554 ?
O1 C007 Eu01 162.2(10) . 1_554 ?
O1 C007 O1 126.9(13) 13_556 . ?
O1 C007 O2 115.9(7) . . ?
O1 C007 O2 115.9(7) 13_556 . ?
O2 C007 Eu01 58.8(3) . 1_554 ?
Eu01 O1 Eu01 0.00(2) 6 15_455 ?
Eu01 O1 Eu01 116.9(2) . 6 ?
Eu01 O1 Eu01 0.00(2) 8_457 6 ?
Eu01 O1 Eu01 0.00(2) 8_457 15_455 ?
Eu01 O1 Eu01 116.9(2) . 15_455 ?
Eu01 O1 Eu01 116.9(2) . 8_457 ?
C007 O1 Eu01 144.5(7) 13_556 . ?
C007 O1 Eu01 97.0(7) . . ?
C007 O1 Eu01 144.5(7) . 15_455 ?
C007 O1 Eu01 144.5(7) . 8_457 ?
C007 O1 Eu01 97.0(7) 6 15_455 ?
C007 O1 Eu01 144.5(7) 6 . ?
C007 O1 Eu01 97.0(7) 6 8_457 ?
C007 O1 Eu01 97.0(7) 13_556 6 ?
C007 O1 Eu01 97.0(7) 13_556 15_455 ?
C007 O1 Eu01 97.0(7) 6 6 ?
C007 O1 Eu01 144.5(7) 10_556 15_455 ?
C007 O1 Eu01 144.5(7) 10_556 6 ?
C007 O1 Eu01 97.0(7) 13_556 8_457 ?
C007 O1 Eu01 144.5(7) . 6 ?
C007 O1 Eu01 97.0(7) 10_556 . ?
C007 O1 Eu01 144.5(7) 10_556 8_457 ?
C007 O1 C007 53.1(13) 13_556 . ?
C007 O1 C007 53.1(13) 6 10_556 ?
C007 O1 C007 0.0(19) 13_556 6 ?
C007 O1 C007 53.1(13) 6 . ?
C007 O1 C007 0.0(13) 10_556 . ?
C007 O1 C007 53.1(13) 13_556 10_556 ?
Eu01 O2 Eu01 152.4(5) . 1_554 ?
C007 O2 Eu01 94.5(3) . 1_554 ?
C007 O2 Eu01 94.5(3) 10_556 . ?
C007 O2 Eu01 94.5(3) 10_556 1_554 ?
C007 O2 Eu01 94.5(3) . . ?
C007 O2 C007 0.0(14) 10_556 . ?

_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 1.488
_oxdiff_exptl_absorpt_empirical_full_min 0.782
