# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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-MOF+AA
_database_code_depnum_ccdc_archive 'CCDC 1888969'
loop_
_audit_author_name
_audit_author_address
'Yifang Zhao'
;Jinan University
China
;
_audit_update_record             
;
2019-01-06 deposited with the CCDC.	2019-04-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H22 Eu2 N0 O15'
_chemical_formula_weight         998.45

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'
Eu Eu -8.9294 11.1857 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   12.4096(5)
_cell_length_b                   21.3850(8)
_cell_length_c                   16.2060(6)
_cell_angle_alpha                90
_cell_angle_beta                 103.343(4)
_cell_angle_gamma                90
_cell_volume                     4184.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150.01(10)
_cell_measurement_reflns_used    2788
_cell_measurement_theta_min      4.1020
_cell_measurement_theta_max      73.2360

_exptl_crystal_description       block-like
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_F_000             1936
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    21.776
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.50777
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      150.01(10)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7622
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.135
_diffrn_reflns_theta_max         78.244
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.912
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.912
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.912
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             4115
_reflns_number_gt                3450
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0616P)²+46.2402P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4115
_refine_ls_number_parameters     217
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0509
_refine_ls_wR_factor_ref         0.1318
_refine_ls_wR_factor_gt          0.1272
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.52727(3) 0.54765(2) 0.39896(2) 0.02240(13) Uani 1 1 d . . . . .
O1 O 0.500000 0.4974(3) 0.250000 0.0342(15) Uani 1 2 d S T P . .
O2 O 0.4292(4) 0.5598(2) 0.5059(3) 0.0348(11) Uani 1 1 d . . . . .
O3 O 0.6748(4) 0.5590(3) 0.5200(3) 0.0430(13) Uani 1 1 d . . . . .
O4 O 0.3515(5) 0.5422(2) 0.6117(3) 0.0387(12) Uani 1 1 d . . . . .
O5 O 0.6260(4) 0.5255(3) 0.6378(3) 0.0399(12) Uani 1 1 d . . . . .
O6 O 0.6523(4) 0.5882(3) 0.3274(3) 0.0394(12) Uani 1 1 d . . . . .
O7 O 0.6193(4) 0.6046(3) 0.1882(3) 0.0398(12) Uani 1 1 d . . . . .
C18 C 0.3666(6) 0.5770(3) 0.5546(4) 0.0351(15) Uani 1 1 d . . . . .
O8 O 0.5573(6) 0.6623(3) 0.4281(5) 0.0672(18) Uiso 1 1 d . . . . .
H1 H 0.630463 0.672022 0.455050 0.101 Uiso 1 1 d R U . . .
H2 H 0.555585 0.642729 0.374709 0.101 Uiso 1 1 d R U . . .
C1 C 0.6962(3) 0.5437(2) 0.5977(3) 0.0367(16) Uani 1 1 d G . . . .
C2 C 0.2852(4) 0.7415(3) 0.4744(3) 0.0423(18) Uani 1 1 d G . . . .
C3 C 0.3127(3) 0.6401(2) 0.5428(3) 0.0347(15) Uani 1 1 d G . . . .
C4 C 1.0352(4) 0.6152(3) 0.2912(3) 0.0348(15) Uani 1 1 d G . . . .
C5 C 0.8987(3) 0.5473(2) 0.5963(3) 0.0421(18) Uani 1 1 d G . . . .
H3 H 0.877897 0.547738 0.537334 0.051 Uiso 1 1 calc R U . . .
C6 C 0.6827(6) 0.6002(3) 0.2612(5) 0.0335(15) Uani 1 1 d . . . . .
C7 C 0.8161(6) 0.5468(3) 0.6446(4) 0.0339(15) Uani 1 1 d . . . . .
C8 C 0.3323(7) 0.6809(4) 0.4832(5) 0.046(2) Uani 1 1 d . . . . .
H4 H 0.377438 0.668602 0.447574 0.056 Uiso 1 1 calc R U . . .
C9 C 0.8477(6) 0.6123(4) 0.2001(5) 0.0375(16) Uani 1 1 d . . . . .
H5 H 0.800707 0.612351 0.146311 0.045 Uiso 1 1 calc R U . . .
C10 C 1.0083(6) 0.5472(4) 0.6365(5) 0.0419(18) Uani 1 1 d . . . . .
H6 H 1.061634 0.546449 0.604526 0.050 Uiso 1 1 calc R U . . .
C11 C 0.8747(6) 0.6112(4) 0.3516(5) 0.0442(19) Uani 1 1 d . . . . .
H7 H 0.843867 0.609398 0.398682 0.053 Uiso 1 1 calc R U . . .
C12 C 0.8050(6) 0.6095(3) 0.2693(5) 0.0341(15) Uani 1 1 d . . . . .
C13 C 0.8450(6) 0.5464(3) 0.7304(5) 0.0362(15) Uani 1 1 d . . . . .
H8 H 0.790227 0.544980 0.760989 0.043 Uiso 1 1 calc R U . . .
C14 C 0.9877(6) 0.6154(5) 0.3626(5) 0.048(2) Uani 1 1 d . . . . .
H9 H 1.032768 0.618461 0.416955 0.057 Uiso 1 1 calc R U . . .
C15 C 1.0416(6) 0.5481(3) 0.7258(4) 0.0338(15) Uani 1 1 d . . . . .
C16 C 0.2438(10) 0.6574(6) 0.5951(7) 0.077(3) Uiso 1 1 d . . . . .
H10 H 0.227366 0.629216 0.634081 0.092 Uiso 1 1 calc R U . . .
C17 C 0.2002(11) 0.7166(7) 0.5886(9) 0.091(4) Uiso 1 1 d . . . . .
H11 H 0.159587 0.729381 0.627154 0.109 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O6 2.310(5) . ?
Eu01 O2 2.350(5) . ?
Eu01 O3 2.366(5) . ?
Eu01 O7 2.367(5) 2_655 ?
Eu01 O5 2.428(5) 5_666 ?
Eu01 O4 2.471(5) 5_666 ?
Eu01 O8 2.508(7) . ?
Eu01 O1 2.592(3) . ?
Eu01 O2 2.750(5) 5_666 ?
Eu01 C18 2.991(7) 5_666 ?
Eu01 Eu01 4.0447(7) 5_666 ?
Eu01 H2 2.1156 . ?
O2 C18 1.282(8) . ?
O3 C1 1.269(6) . ?
O4 C18 1.236(9) . ?
O5 C1 1.263(6) . ?
O6 C6 1.244(8) . ?
O7 C6 1.264(8) . ?
C18 C3 1.500(8) . ?
O8 H1 0.9355 . ?
O8 H2 0.9575 . ?
C1 C7 1.509(8) . ?
C2 C2 1.383(8) 7_566 ?
C2 C17 1.401(14) 7_566 ?
C2 C8 1.416(9) . ?
C3 C8 1.364(9) . ?
C3 C16 1.385(12) . ?
C4 C14 1.416(8) . ?
C4 C4 1.417(12) 2_755 ?
C4 C9 1.428(8) 2_755 ?
C5 C10 1.365(9) . ?
C5 C7 1.427(8) . ?
C5 H3 0.9300 . ?
C6 C12 1.506(9) . ?
C7 C13 1.353(10) . ?
C8 H4 0.9300 . ?
C9 C12 1.349(10) . ?
C9 H5 0.9300 . ?
C10 C15 1.411(10) . ?
C10 H6 0.9300 . ?
C11 C14 1.375(10) . ?
C11 C12 1.412(10) . ?
C11 H7 0.9300 . ?
C13 C15 1.423(10) 2_756 ?
C13 H8 0.9300 . ?
C14 H9 0.9300 . ?
C15 C15 1.433(14) 2_756 ?
C16 C17 1.372(17) . ?
C16 H10 0.9300 . ?
C17 H11 0.9300 . ?

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
O6 Eu01 O2 148.28(18) . . ?
O6 Eu01 O3 84.05(17) . . ?
O2 Eu01 O3 79.10(17) . . ?
O6 Eu01 O7 91.13(18) . 2_655 ?
O2 Eu01 O7 85.76(17) . 2_655 ?
O3 Eu01 O7 141.5(2) . 2_655 ?
O6 Eu01 O5 134.25(17) . 5_666 ?
O2 Eu01 O5 75.08(18) . 5_666 ?
O3 Eu01 O5 133.00(18) . 5_666 ?
O7 Eu01 O5 74.62(19) 2_655 5_666 ?
O6 Eu01 O4 76.47(18) . 5_666 ?
O2 Eu01 O4 124.41(16) . 5_666 ?
O3 Eu01 O4 76.75(19) . 5_666 ?
O7 Eu01 O4 139.00(17) 2_655 5_666 ?
O5 Eu01 O4 86.41(19) 5_666 5_666 ?
O6 Eu01 O8 68.9(2) . . ?
O2 Eu01 O8 80.4(2) . . ?
O3 Eu01 O8 72.0(2) . . ?
O7 Eu01 O8 70.7(2) 2_655 . ?
O5 Eu01 O8 138.6(2) 5_666 . ?
O4 Eu01 O8 135.0(2) 5_666 . ?
O6 Eu01 O1 69.31(15) . . ?
O2 Eu01 O1 138.92(13) . . ?
O3 Eu01 O1 136.40(14) . . ?
O7 Eu01 O1 74.94(16) 2_655 . ?
O5 Eu01 O1 65.04(14) 5_666 . ?
O4 Eu01 O1 64.09(16) 5_666 . ?
O8 Eu01 O1 124.2(2) . . ?
O6 Eu01 O2 121.83(17) . 5_666 ?
O2 Eu01 O2 75.34(16) . 5_666 ?
O3 Eu01 O2 66.86(18) . 5_666 ?
O7 Eu01 O2 142.11(17) 2_655 5_666 ?
O5 Eu01 O2 68.95(17) 5_666 5_666 ?
O4 Eu01 O2 49.16(15) 5_666 5_666 ?
O8 Eu01 O2 135.2(2) . 5_666 ?
O1 Eu01 O2 98.19(17) . 5_666 ?
O6 Eu01 C18 98.8(2) . 5_666 ?
O2 Eu01 C18 100.70(18) . 5_666 ?
O3 Eu01 C18 70.8(2) . 5_666 ?
O7 Eu01 C18 147.3(2) 2_655 5_666 ?
O5 Eu01 C18 76.24(19) 5_666 5_666 ?
O4 Eu01 C18 23.81(18) 5_666 5_666 ?
O8 Eu01 C18 141.8(2) . 5_666 ?
O1 Eu01 C18 79.65(18) . 5_666 ?
O2 Eu01 C18 25.37(16) 5_666 5_666 ?
O6 Eu01 Eu01 148.54(13) . 5_666 ?
O2 Eu01 Eu01 41.14(11) . 5_666 ?
O3 Eu01 Eu01 67.84(12) . 5_666 ?
O7 Eu01 Eu01 119.58(12) 2_655 5_666 ?
O5 Eu01 Eu01 66.80(12) 5_666 5_666 ?
O4 Eu01 Eu01 83.32(11) 5_666 5_666 ?
O8 Eu01 Eu01 112.66(16) . 5_666 ?
O1 Eu01 Eu01 122.34(13) . 5_666 ?
O2 Eu01 Eu01 34.21(10) 5_666 5_666 ?
C18 Eu01 Eu01 59.56(14) 5_666 5_666 ?
O6 Eu01 H2 52.1 . . ?
O2 Eu01 H2 99.6 . . ?
O3 Eu01 H2 85.7 . . ?
O7 Eu01 H2 62.1 2_655 . ?
O5 Eu01 H2 136.7 5_666 . ?
O4 Eu01 H2 127.2 5_666 . ?
O8 Eu01 H2 21.8 . . ?
O1 Eu01 H2 102.5 . . ?
O2 Eu01 H2 152.6 5_666 . ?
C18 Eu01 H2 145.2 5_666 . ?
Eu01 Eu01 H2 134.5 5_666 . ?
Eu01 O1 Eu01 131.0(3) . 2_655 ?
C18 O2 Eu01 167.3(5) . . ?
C18 O2 Eu01 87.9(4) . 5_666 ?
Eu01 O2 Eu01 104.66(16) . 5_666 ?
C1 O3 Eu01 137.8(4) . . ?
C18 O4 Eu01 102.4(4) . 5_666 ?
C1 O5 Eu01 131.9(4) . 5_666 ?
C6 O6 Eu01 152.0(5) . . ?
C6 O7 Eu01 138.3(5) . 2_655 ?
O4 C18 O2 120.5(6) . . ?
O4 C18 C3 119.8(6) . . ?
O2 C18 C3 119.7(6) . . ?
O4 C18 Eu01 53.8(3) . 5_666 ?
O2 C18 Eu01 66.8(4) . 5_666 ?
C3 C18 Eu01 172.8(4) . 5_666 ?
Eu01 O8 H1 113.0 . . ?
Eu01 O8 H2 55.3 . . ?
H1 O8 H2 109.6 . . ?
O5 C1 O3 125.4(5) . . ?
O5 C1 C7 118.2(4) . . ?
O3 C1 C7 116.4(4) . . ?
C2 C2 C17 118.4(8) 7_566 7_566 ?
C2 C2 C8 118.9(6) 7_566 . ?
C17 C2 C8 122.5(7) 7_566 . ?
C8 C3 C16 119.9(7) . . ?
C8 C3 C18 121.2(5) . . ?
C16 C3 C18 118.9(7) . . ?
C14 C4 C4 119.2(5) . 2_755 ?
C14 C4 C9 121.7(6) . 2_755 ?
C4 C4 C9 119.1(5) 2_755 2_755 ?
C10 C5 C7 120.0(5) . . ?
C10 C5 H3 120.0 . . ?
C7 C5 H3 120.0 . . ?
O6 C6 O7 125.1(6) . . ?
O6 C6 C12 116.8(6) . . ?
O7 C6 C12 118.0(6) . . ?
C13 C7 C5 120.7(6) . . ?
C13 C7 C1 120.9(6) . . ?
C5 C7 C1 118.3(5) . . ?
C3 C8 C2 121.3(6) . . ?
C3 C8 H4 119.4 . . ?
C2 C8 H4 119.4 . . ?
C12 C9 C4 120.4(6) . 2_755 ?
C12 C9 H5 119.8 . . ?
C4 C9 H5 119.8 2_755 . ?
C5 C10 C15 120.9(7) . . ?
C5 C10 H6 119.6 . . ?
C15 C10 H6 119.6 . . ?
C14 C11 C12 120.6(7) . . ?
C14 C11 H7 119.7 . . ?
C12 C11 H7 119.7 . . ?
C9 C12 C11 120.8(7) . . ?
C9 C12 C6 120.9(7) . . ?
C11 C12 C6 118.1(6) . . ?
C7 C13 C15 120.6(7) . 2_756 ?
C7 C13 H8 119.7 . . ?
C15 C13 H8 119.7 2_756 . ?
C11 C14 C4 119.9(6) . . ?
C11 C14 H9 120.1 . . ?
C4 C14 H9 120.1 . . ?
C10 C15 C13 122.3(7) . 2_756 ?
C10 C15 C15 118.9(8) . 2_756 ?
C13 C15 C15 118.8(8) 2_756 2_756 ?
C17 C16 C3 119.2(11) . . ?
C17 C16 H10 120.4 . . ?
C3 C16 H10 120.4 . . ?
C16 C17 C2 122.0(12) . 7_566 ?
C16 C17 H11 119.0 . . ?
C2 C17 H11 119.0 7_566 . ?

_refine_diff_density_max         1.263
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.137


# SQUEEZE RESULTS (Version =  61117)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.058 0.750 0.081 601 124 ' '
2 -0.053 0.250 0.139 601 124 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

####################################################################### 
# 
# 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-MOF
_database_code_depnum_ccdc_archive 'CCDC 1888970'
loop_
_audit_author_name
_audit_author_address
'Yifang Zhao'
;Jinan University
China
;
_audit_update_record             
;
2019-01-06 deposited with the CCDC.	2019-04-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H39 Eu2 N3 O15'
_chemical_formula_weight         1165.71

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'
Eu Eu -8.9294 11.1857 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.93700(10)
_cell_length_b                   21.89300(10)
_cell_length_c                   16.57120(10)
_cell_angle_alpha                90
_cell_angle_beta                 100.5340(10)
_cell_angle_gamma                90
_cell_volume                     4257.68(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    149.99(10)
_cell_measurement_reflns_used    15090
_cell_measurement_theta_min      4.229
_cell_measurement_theta_max      77.9640

_exptl_crystal_description       ??block-like??
_exptl_crystal_colour            ??colorless??
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_F_000             2304
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    21.528
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ??multi-scan'
_exptl_absorpt_correction_T_min  0.45683
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      149.99(10)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31694
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.381
_diffrn_reflns_theta_max         78.405
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8885
_reflns_number_gt                7963
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0561P)²+1.2207P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8885
_refine_ls_number_parameters     592
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0932
_refine_ls_wR_factor_gt          0.0912
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu00 Eu 0.03475(2) 0.45965(2) 0.40215(2) 0.01007(6) Uani 1 1 d . . . . .
Eu1 Eu 0.96390(2) 0.45682(2) 0.09414(2) 0.01007(6) Uani 1 1 d . . . . .
O003 O -0.06760(14) 0.43545(8) 0.50504(10) 0.0152(3) Uani 1 1 d . . . . .
O004 O 0.12082(15) 0.44438(9) 0.29297(11) 0.0182(4) Uani 1 1 d . . . . .
O005 O -0.43363(14) 0.06254(8) 0.48893(10) 0.0143(3) Uani 1 1 d . . . . .
O006 O -0.14011(17) 0.44709(8) 0.61717(11) 0.0196(4) Uani 1 1 d . . . . .
O007 O 0.80643(16) 0.45155(8) 0.98510(11) 0.0186(4) Uani 1 1 d . . . . .
O008 O 0.12387(15) 0.47394(8) 0.62885(10) 0.0177(3) Uani 1 1 d . . . . .
O009 O 0.86925(14) 0.48144(8) 0.87222(10) 0.0171(3) Uani 1 1 d . . . . .
O00A O 0.86568(15) 0.43245(9) 0.19427(10) 0.0195(4) Uani 1 1 d . . . . .
O00B O 0.88312(14) 0.40246(8) 0.32403(10) 0.0174(3) Uani 1 1 d . . . . .
O00C O 0.18765(16) 0.44897(9) 0.51446(11) 0.0188(4) Uani 1 1 d . . . . .
O00D O -0.36619(17) 0.05058(8) 0.37499(11) 0.0194(4) Uani 1 1 d . . . . .
O00E O 0.91511(16) 0.34822(8) 0.06395(11) 0.0235(4) Uani 1 1 d . . . . .
O00F O 0.10294(14) 0.39368(8) 0.17513(10) 0.0156(3) Uani 1 1 d . . . . .
O00G O 0.09103(15) 0.35275(8) 0.40842(11) 0.0229(4) Uani 1 1 d . . . . .
C00H C -0.3760(2) 0.08161(11) 0.43647(15) 0.0148(5) Uani 1 1 d . . . . .
N00I N 0.9067(2) 0.24890(10) 0.10276(15) 0.0290(5) Uani 1 1 d . . . . .
C00J C -0.1270(2) 0.41614(11) 0.55607(15) 0.0153(5) Uani 1 1 d . . . . .
N00K N 0.99513(16) 0.31712(13) 0.75455(12) 0.0280(6) Uani 1 1 d . . . . .
C00L C -0.1813(2) 0.35406(11) 0.54397(14) 0.0157(5) Uani 1 1 d . . . . .
C00M C 0.8258(2) 0.41256(11) 0.25423(14) 0.0140(5) Uani 1 1 d . . . . .
C00N C 0.2012(2) 0.45813(10) 0.59066(18) 0.0160(5) Uani 1 1 d . . . . .
O00O O 1.11867(19) 0.32153(11) 0.66520(13) 0.0443(5) Uani 1 1 d . . . . .
C00P C 0.1601(2) 0.41186(11) 0.24243(14) 0.0139(5) Uani 1 1 d . . . . .
C00Q C -0.3204(2) 0.14347(11) 0.44815(14) 0.0154(5) Uani 1 1 d . . . . .
N00R N 0.1106(2) 0.25453(10) 0.44884(15) 0.0302(5) Uani 1 1 d . . . . .
C00S C -0.1721(2) 0.31963(12) 0.47610(14) 0.0167(5) Uani 1 1 d . . . . .
H00S H -0.133707 0.335253 0.436631 0.020 Uiso 1 1 calc R U . . .
C00T C 0.5812(2) 0.44725(12) 0.90044(16) 0.0192(5) Uani 1 1 d . . . . .
H00T H 0.593811 0.445882 0.957481 0.023 Uiso 1 1 calc R U . . .
C00U C -0.2209(2) 0.26041(12) 0.46591(14) 0.0169(5) Uani 1 1 d . . . . .
C00V C 0.69948(19) 0.40148(11) 0.23917(14) 0.0149(4) Uani 1 1 d . . . . .
C00W C -0.2873(2) 0.27400(12) 0.59625(15) 0.0210(5) Uani 1 1 d . . . . .
H00W H -0.324715 0.259124 0.636702 0.025 Uiso 1 1 calc R U . . .
C00X C 0.7934(2) 0.46222(10) 0.90934(18) 0.0166(5) Uani 1 1 d . . . . .
C00Y C 0.3204(2) 0.45108(11) 0.63923(17) 0.0168(5) Uani 1 1 d . . . . .
C00Z C -0.2791(2) 0.23685(12) 0.52699(14) 0.0166(5) Uani 1 1 d . . . . .
C010 C 0.9124(2) 0.30869(12) 0.11662(16) 0.0247(5) Uani 1 1 d . . . . .
H010 H 0.914477 0.321773 0.170262 0.030 Uiso 1 1 calc R U . . .
C011 C 0.6754(2) 0.45223(11) 0.85932(17) 0.0174(5) Uani 1 1 d . . . . .
C012 C -0.3291(2) 0.17788(12) 0.51628(14) 0.0169(5) Uani 1 1 d . . . . .
H012 H -0.368023 0.162385 0.555561 0.020 Uiso 1 1 calc R U . . .
C013 C -0.2136(2) 0.22323(12) 0.39652(15) 0.0205(5) Uani 1 1 d . . . . .
H013 H -0.175459 0.237918 0.356326 0.025 Uiso 1 1 calc R U . . .
C014 C -0.2410(2) 0.33096(12) 0.60401(15) 0.0194(5) Uani 1 1 d . . . . .
H014 H -0.248461 0.354943 0.649037 0.023 Uiso 1 1 calc R U . . .
C015 C 1.0571(3) 0.34643(14) 0.70730(17) 0.0300(6) Uani 1 1 d . . . . .
H015 H 1.053363 0.388857 0.706151 0.036 Uiso 1 1 calc R U . . .
C016 C 0.3418(2) 0.39512(11) 0.19602(14) 0.0165(5) Uani 1 1 d . . . . .
H016 H 0.300598 0.393407 0.142704 0.020 Uiso 1 1 calc R U . . .
C017 C 0.4510(2) 0.44616(12) 0.77000(16) 0.0167(5) Uani 1 1 d . . . . .
C018 C 0.5233(2) 0.44936(12) 0.64104(17) 0.0191(5) Uani 1 1 d . . . . .
H018 H 0.584040 0.449274 0.612964 0.023 Uiso 1 1 calc R U . . .
C019 C 0.9234(3) 0.34957(15) 0.80146(18) 0.0324(7) Uani 1 1 d . . . . .
H01X H 0.950556 0.342933 0.858963 0.049 Uiso 1 1 calc R U . . .
H01Y H 0.846525 0.334903 0.786876 0.049 Uiso 1 1 calc R U . . .
H H 0.925275 0.392459 0.789695 0.049 Uiso 1 1 calc R U . . .
C01A C 0.5235(2) 0.39400(11) 0.29170(14) 0.0158(5) Uani 1 1 d . . . . .
C01B C 0.6375(2) 0.40155(12) 0.15768(14) 0.0187(5) Uani 1 1 d . . . . .
H01B H 0.675960 0.404427 0.113828 0.022 Uiso 1 1 calc R U . . .
C01C C -0.2614(2) 0.16657(12) 0.38796(15) 0.0185(5) Uani 1 1 d . . . . .
H01C H -0.255155 0.142928 0.342359 0.022 Uiso 1 1 calc R U . . .
C01D C 0.2849(2) 0.39827(11) 0.26094(14) 0.0160(5) Uani 1 1 d . . . . .
C01E C 0.3387(2) 0.44837(12) 0.72331(17) 0.0171(5) Uani 1 1 d . . . . .
H01E H 0.276786 0.447969 0.750135 0.020 Uiso 1 1 calc R U . . .
C01F C 0.4726(2) 0.44446(13) 0.85710(16) 0.0190(5) Uani 1 1 d . . . . .
H01F H 0.411943 0.441399 0.884968 0.023 Uiso 1 1 calc R U . . .
C01G C 0.6437(2) 0.39648(11) 0.30462(14) 0.0151(5) Uani 1 1 d . . . . .
H01G H 0.685527 0.394715 0.357751 0.018 Uiso 1 1 calc R U . . .
C01H C 0.6574(2) 0.45183(11) 0.77522(17) 0.0172(5) Uani 1 1 d . . . . .
H01H H 0.719300 0.453995 0.748456 0.021 Uiso 1 1 calc R U . . .
C01I C 0.5453(2) 0.44815(12) 0.72840(16) 0.0164(5) Uani 1 1 d . . . . .
C01J C 0.5215(2) 0.39742(12) 0.14333(15) 0.0190(5) Uani 1 1 d . . . . .
H01J H 0.481455 0.396554 0.089638 0.023 Uiso 1 1 calc R U . . .
C01K C 0.0974(2) 0.31327(12) 0.46232(15) 0.0236(5) Uani 1 1 d . . . . .
H01K H 0.092552 0.325613 0.515276 0.028 Uiso 1 1 calc R U . . .
C01L C 0.4622(2) 0.39400(12) 0.35751(14) 0.0183(5) Uani 1 1 d . . . . .
H01L H 0.501676 0.391966 0.411291 0.022 Uiso 1 1 calc R U . . .
C01M C 0.3461(2) 0.39694(12) 0.34278(15) 0.0188(5) Uani 1 1 d . . . . .
H01M H 0.307085 0.398069 0.386451 0.023 Uiso 1 1 calc R U . . .
C01N C 0.9070(3) 0.22397(14) 0.02134(19) 0.0386(7) Uani 1 1 d . . . . .
H01A H 0.902563 0.256749 -0.017590 0.058 Uiso 1 1 calc R U . . .
H01D H 0.842650 0.197389 0.006125 0.058 Uiso 1 1 calc R U . . .
H01I H 0.976001 0.201331 0.021814 0.058 Uiso 1 1 calc R U . . .
C01O C 0.4618(2) 0.39444(11) 0.20932(14) 0.0157(5) Uani 1 1 d . . . . .
C01P C 0.4143(2) 0.45066(12) 0.59791(17) 0.0181(5) Uani 1 1 d . . . . .
H01P H 0.401554 0.451280 0.540852 0.022 Uiso 1 1 calc R U . . .
C01Q C 0.9986(3) 0.25141(18) 0.7613(2) 0.0508(10) Uani 1 1 d . . . . .
H01Z H 0.923917 0.235093 0.741647 0.076 Uiso 1 1 calc R U . . .
HA H 1.023121 0.240046 0.817725 0.076 Uiso 1 1 calc R U . . .
HB H 1.050922 0.235384 0.729061 0.076 Uiso 1 1 calc R U . . .
C01R C 0.8980(3) 0.20613(14) 0.1683(2) 0.0454(8) Uani 1 1 d . . . . .
H01N H 0.902918 0.227936 0.219045 0.068 Uiso 1 1 calc R U . . .
H01O H 0.958943 0.177000 0.173067 0.068 Uiso 1 1 calc R U . . .
H01Q H 0.826234 0.185156 0.155975 0.068 Uiso 1 1 calc R U . . .
C01S C 0.1195(3) 0.23165(15) 0.3679(2) 0.0501(9) Uani 1 1 d . . . . .
H01R H 0.110513 0.264873 0.329420 0.075 Uiso 1 1 calc R U . . .
H01S H 0.061056 0.201812 0.350869 0.075 Uiso 1 1 calc R U . . .
H01T H 0.192924 0.213171 0.369895 0.075 Uiso 1 1 calc R U . . .
C01T C 0.1121(3) 0.20943(15) 0.5134(2) 0.0472(8) Uani 1 1 d . . . . .
H01U H 0.114493 0.229845 0.564992 0.071 Uiso 1 1 calc R U . . .
H01V H 0.178142 0.183913 0.516494 0.071 Uiso 1 1 calc R U . . .
H01W H 0.044620 0.184748 0.501466 0.071 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
Eu00 O004 2.2627(17) . ?
Eu00 O003 2.3329(16) . ?
Eu00 O00C 2.3680(18) . ?
Eu00 O008 2.3680(17) 3_566 ?
Eu00 O00B 2.3798(17) 1_455 ?
Eu00 O00G 2.4319(18) . ?
Eu00 O006 2.4496(18) 3_566 ?
Eu00 O003 2.7518(18) 3_566 ?
Eu00 C00J 2.968(2) 3_566 ?
Eu00 Eu00 3.9127(2) 3_566 ?
Eu1 O00A 2.2636(16) . ?
Eu1 O005 2.3442(16) 4_765 ?
Eu1 O007 2.3600(19) 1_554 ?
Eu1 O00F 2.3774(16) 1_655 ?
Eu1 O009 2.3873(17) 3_766 ?
Eu1 O00D 2.4605(18) 2 ?
Eu1 O00E 2.4769(18) . ?
Eu1 O005 2.6836(17) 2 ?
Eu1 C00H 2.937(2) 2 ?
Eu1 C00P 3.223(2) 1_655 ?
Eu1 Eu1 3.8776(2) 3_765 ?
O003 C00J 1.271(3) . ?
O004 C00P 1.254(3) . ?
O005 C00H 1.273(3) . ?
O006 C00J 1.252(3) . ?
O007 C00X 1.258(3) . ?
O008 C00N 1.259(3) . ?
O009 C00X 1.257(3) . ?
O00A C00M 1.256(3) . ?
O00B C00M 1.251(3) . ?
O00C C00N 1.260(3) . ?
O00D C00H 1.248(3) . ?
O00E C010 1.234(3) . ?
O00F C00P 1.261(3) . ?
O00G C01K 1.235(3) . ?
C00H C00Q 1.505(3) . ?
N00I C010 1.329(3) . ?
N00I C01R 1.452(4) . ?
N00I C01N 1.456(4) . ?
C00J C00L 1.504(3) . ?
N00K C015 1.335(4) . ?
N00K C01Q 1.443(5) . ?
N00K C019 1.445(3) . ?
C00L C00S 1.375(3) . ?
C00L C014 1.418(3) . ?
C00M C00V 1.502(3) . ?
C00N C00Y 1.509(4) . ?
O00O C015 1.230(4) . ?
C00P C01D 1.495(3) . ?
C00Q C012 1.377(3) . ?
C00Q C01C 1.416(3) . ?
N00R C01K 1.320(3) . ?
N00R C01T 1.454(3) . ?
N00R C01S 1.454(4) . ?
C00S C00U 1.419(3) . ?
C00T C01F 1.364(4) . ?
C00T C011 1.421(4) . ?
C00U C013 1.425(3) . ?
C00U C00Z 1.425(4) . ?
C00V C01G 1.377(3) . ?
C00V C01B 1.416(3) . ?
C00W C014 1.361(3) . ?
C00W C00Z 1.424(3) . ?
C00X C011 1.513(4) . ?
C00Y C01E 1.372(4) . ?
C00Y C01P 1.416(4) . ?
C00Z C012 1.420(3) . ?
C011 C01H 1.371(4) . ?
C013 C01C 1.362(3) . ?
C016 C01D 1.375(3) . ?
C016 C01O 1.409(3) . ?
C017 C01F 1.420(4) . ?
C017 C01E 1.420(4) . ?
C017 C01I 1.424(4) . ?
C018 C01P 1.366(4) . ?
C018 C01I 1.423(4) . ?
C01A C01G 1.413(3) . ?
C01A C01L 1.420(3) . ?
C01A C01O 1.428(4) . ?
C01B C01J 1.364(3) . ?
C01D C01M 1.418(3) . ?
C01H C01I 1.421(4) . ?
C01J C01O 1.412(3) . ?
C01L C01M 1.364(3) . ?

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
O004 Eu00 O003 157.79(7) . . ?
O004 Eu00 O00C 102.50(7) . . ?
O003 Eu00 O00C 80.48(6) . . ?
O004 Eu00 O008 112.28(6) . 3_566 ?
O003 Eu00 O008 78.06(6) . 3_566 ?
O00C Eu00 O008 134.59(6) . 3_566 ?
O004 Eu00 O00B 84.19(6) . 1_455 ?
O003 Eu00 O00B 80.22(6) . 1_455 ?
O00C Eu00 O00B 140.88(6) . 1_455 ?
O008 Eu00 O00B 72.93(6) 3_566 1_455 ?
O004 Eu00 O00G 74.32(6) . . ?
O003 Eu00 O00G 85.85(6) . . ?
O00C Eu00 O00G 72.79(6) . . ?
O008 Eu00 O00G 143.50(6) 3_566 . ?
O00B Eu00 O00G 72.15(6) 1_455 . ?
O004 Eu00 O006 72.52(6) . 3_566 ?
O003 Eu00 O006 129.41(6) . 3_566 ?
O00C Eu00 O006 81.07(7) . 3_566 ?
O008 Eu00 O006 82.48(7) 3_566 3_566 ?
O00B Eu00 O006 136.48(6) 1_455 3_566 ?
O00G Eu00 O006 131.56(6) . 3_566 ?
O004 Eu00 O003 122.08(6) . 3_566 ?
O003 Eu00 O003 79.70(6) . 3_566 ?
O00C Eu00 O003 68.45(6) . 3_566 ?
O008 Eu00 O003 68.62(6) 3_566 3_566 ?
O00B Eu00 O003 139.43(5) 1_455 3_566 ?
O00G Eu00 O003 140.29(6) . 3_566 ?
O006 Eu00 O003 49.71(5) 3_566 3_566 ?
O004 Eu00 C00J 96.82(7) . 3_566 ?
O003 Eu00 C00J 105.02(6) . 3_566 ?
O00C Eu00 C00J 72.99(7) . 3_566 ?
O008 Eu00 C00J 74.68(6) 3_566 3_566 ?
O00B Eu00 C00J 145.27(6) 1_455 3_566 ?
O00G Eu00 C00J 141.64(7) . 3_566 ?
O006 Eu00 C00J 24.40(6) 3_566 3_566 ?
O003 Eu00 C00J 25.31(6) 3_566 3_566 ?
O004 Eu00 Eu00 157.74(5) . 3_566 ?
O003 Eu00 Eu00 43.79(4) . 3_566 ?
O00C Eu00 Eu00 69.08(4) . 3_566 ?
O008 Eu00 Eu00 67.69(4) 3_566 3_566 ?
O00B Eu00 Eu00 115.65(4) 1_455 3_566 ?
O00G Eu00 Eu00 119.86(4) . 3_566 ?
O006 Eu00 Eu00 85.63(4) 3_566 3_566 ?
O003 Eu00 Eu00 35.92(3) 3_566 3_566 ?
C00J Eu00 Eu00 61.23(5) 3_566 3_566 ?
O00A Eu1 O005 155.95(7) . 4_765 ?
O00A Eu1 O007 95.90(6) . 1_554 ?
O005 Eu1 O007 82.68(6) 4_765 1_554 ?
O00A Eu1 O00F 81.42(6) . 1_655 ?
O005 Eu1 O00F 84.80(6) 4_765 1_655 ?
O007 Eu1 O00F 141.26(6) 1_554 1_655 ?
O00A Eu1 O009 118.96(6) . 3_766 ?
O005 Eu1 O009 75.50(6) 4_765 3_766 ?
O007 Eu1 O009 136.07(6) 1_554 3_766 ?
O00F Eu1 O009 74.38(6) 1_655 3_766 ?
O00A Eu1 O00D 73.47(6) . 2 ?
O005 Eu1 O00D 129.58(6) 4_765 2 ?
O007 Eu1 O00D 81.86(7) 1_554 2 ?
O00F Eu1 O00D 132.55(6) 1_655 2 ?
O009 Eu1 O00D 83.46(6) 3_766 2 ?
O00A Eu1 O00E 77.74(6) . . ?
O005 Eu1 O00E 79.14(6) 4_765 . ?
O007 Eu1 O00E 70.94(6) 1_554 . ?
O00F Eu1 O00E 70.74(6) 1_655 . ?
O009 Eu1 O00E 138.24(6) 3_766 . ?
O00D Eu1 O00E 137.72(6) 2 . ?
O00A Eu1 O005 122.69(6) . 2 ?
O005 Eu1 O005 79.29(6) 4_765 2 ?
O007 Eu1 O005 68.64(6) 1_554 2 ?
O00F Eu1 O005 143.68(5) 1_655 2 ?
O009 Eu1 O005 70.10(6) 3_766 2 ?
O00D Eu1 O005 50.40(5) 2 2 ?
O00E Eu1 O005 136.03(5) . 2 ?
O00A Eu1 C00H 97.43(7) . 2 ?
O005 Eu1 C00H 104.96(6) 4_765 2 ?
O007 Eu1 C00H 72.78(7) 1_554 2 ?
O00F Eu1 C00H 145.96(6) 1_655 2 ?
O009 Eu1 C00H 76.70(6) 3_766 2 ?
O00D Eu1 C00H 24.77(6) 2 2 ?
O00E Eu1 C00H 142.62(7) . 2 ?
O005 Eu1 C00H 25.68(6) 2 2 ?
O00A Eu1 C00P 76.75(6) . 1_655 ?
O005 Eu1 C00P 96.12(6) 4_765 1_655 ?
O007 Eu1 C00P 159.20(6) 1_554 1_655 ?
O00F Eu1 C00P 19.44(6) 1_655 1_655 ?
O009 Eu1 C00P 62.35(6) 3_766 1_655 ?
O00D Eu1 C00P 113.72(6) 2 1_655 ?
O00E Eu1 C00P 88.40(6) . 1_655 ?
O005 Eu1 C00P 131.71(6) 2 1_655 ?
C00H Eu1 C00P 127.05(6) 2 1_655 ?
O00A Eu1 Eu1 157.80(5) . 3_765 ?
O005 Eu1 Eu1 42.84(4) 4_765 3_765 ?
O007 Eu1 Eu1 70.79(4) 1_554 3_765 ?
O00F Eu1 Eu1 120.19(4) 1_655 3_765 ?
O009 Eu1 Eu1 67.24(4) 3_766 3_765 ?
O00D Eu1 Eu1 86.79(4) 2 3_765 ?
O00E Eu1 Eu1 112.59(4) . 3_765 ?
O005 Eu1 Eu1 36.44(3) 2 3_765 ?
C00H Eu1 Eu1 62.12(5) 2 3_765 ?
C00P Eu1 Eu1 121.66(4) 1_655 3_765 ?
C00J O003 Eu00 172.80(17) . . ?
C00J O003 Eu00 86.89(14) . 3_566 ?
Eu00 O003 Eu00 100.30(6) . 3_566 ?
C00P O004 Eu00 153.90(17) . . ?
C00H O005 Eu1 170.88(17) . 4_466 ?
C00H O005 Eu1 88.36(14) . 2_545 ?
Eu1 O005 Eu1 100.71(6) 4_466 2_545 ?
C00J O006 Eu00 101.66(15) . 3_566 ?
C00X O007 Eu1 133.69(18) . 1_556 ?
C00N O008 Eu00 133.64(16) . 3_566 ?
C00X O009 Eu1 136.09(16) . 3_766 ?
C00M O00A Eu1 169.74(17) . . ?
C00M O00B Eu00 130.01(16) . 1_655 ?
C00N O00C Eu00 135.36(17) . . ?
C00H O00D Eu1 99.53(15) . 2_545 ?
C010 O00E Eu1 124.48(17) . . ?
C00P O00F Eu1 121.67(15) . 1_455 ?
C01K O00G Eu00 133.17(17) . . ?
O00D C00H O005 121.5(2) . . ?
O00D C00H C00Q 119.3(2) . . ?
O005 C00H C00Q 119.2(2) . . ?
O00D C00H Eu1 55.70(13) . 2_545 ?
O005 C00H Eu1 65.96(13) . 2_545 ?
C00Q C00H Eu1 173.90(17) . 2_545 ?
C010 N00I C01R 121.0(2) . . ?
C010 N00I C01N 121.4(2) . . ?
C01R N00I C01N 117.6(2) . . ?
O006 C00J O003 121.7(2) . . ?
O006 C00J C00L 118.8(2) . . ?
O003 C00J C00L 119.4(2) . . ?
O006 C00J Eu00 53.94(13) . 3_566 ?
O003 C00J Eu00 67.80(13) . 3_566 ?
C00L C00J Eu00 172.75(16) . 3_566 ?
C015 N00K C01Q 120.9(3) . . ?
C015 N00K C019 121.7(3) . . ?
C01Q N00K C019 117.4(2) . . ?
C00S C00L C014 120.3(2) . . ?
C00S C00L C00J 120.5(2) . . ?
C014 C00L C00J 119.2(2) . . ?
O00B C00M O00A 124.8(2) . . ?
O00B C00M C00V 119.2(2) . . ?
O00A C00M C00V 116.0(2) . . ?
O008 C00N O00C 125.2(3) . . ?
O008 C00N C00Y 117.8(2) . . ?
O00C C00N C00Y 117.0(2) . . ?
O004 C00P O00F 124.2(2) . . ?
O004 C00P C01D 117.2(2) . . ?
O00F C00P C01D 118.5(2) . . ?
O004 C00P Eu1 91.57(14) . 1_455 ?
O00F C00P Eu1 38.89(11) . 1_455 ?
C01D C00P Eu1 140.83(15) . 1_455 ?
C012 C00Q C01C 120.3(2) . . ?
C012 C00Q C00H 120.0(2) . . ?
C01C C00Q C00H 119.7(2) . . ?
C01K N00R C01T 121.5(3) . . ?
C01K N00R C01S 121.5(2) . . ?
C01T N00R C01S 116.9(3) . . ?
C00L C00S C00U 120.4(2) . . ?
C01F C00T C011 120.7(2) . . ?
C00S C00U C013 122.2(2) . . ?
C00S C00U C00Z 119.3(2) . . ?
C013 C00U C00Z 118.5(3) . . ?
C01G C00V C01B 120.5(2) . . ?
C01G C00V C00M 119.8(2) . . ?
C01B C00V C00M 119.5(2) . . ?
C014 C00W C00Z 120.9(2) . . ?
O009 C00X O007 125.6(3) . . ?
O009 C00X C011 117.5(2) . . ?
O007 C00X C011 116.9(2) . . ?
C01E C00Y C01P 119.8(2) . . ?
C01E C00Y C00N 120.4(2) . . ?
C01P C00Y C00N 119.7(2) . . ?
C012 C00Z C00W 122.1(2) . . ?
C012 C00Z C00U 119.3(2) . . ?
C00W C00Z C00U 118.7(3) . . ?
O00E C010 N00I 125.2(2) . . ?
C01H C011 C00T 119.7(2) . . ?
C01H C011 C00X 121.0(2) . . ?
C00T C011 C00X 119.1(2) . . ?
C00Q C012 C00Z 120.5(2) . . ?
C01C C013 C00U 121.2(2) . . ?
C00W C014 C00L 120.5(2) . . ?
O00O C015 N00K 124.9(3) . . ?
C01D C016 C01O 120.8(2) . . ?
C01F C017 C01E 122.2(2) . . ?
C01F C017 C01I 118.7(3) . . ?
C01E C017 C01I 119.1(3) . . ?
C01P C018 C01I 120.9(2) . . ?
C01G C01A C01L 122.4(2) . . ?
C01G C01A C01O 118.5(2) . . ?
C01L C01A C01O 119.1(2) . . ?
C01J C01B C00V 120.2(2) . . ?
C013 C01C C00Q 120.3(2) . . ?
C016 C01D C01M 120.3(2) . . ?
C016 C01D C00P 117.8(2) . . ?
C01M C01D C00P 121.4(2) . . ?
C00Y C01E C017 120.9(2) . . ?
C00T C01F C017 120.9(2) . . ?
C00V C01G C01A 120.5(2) . . ?
C011 C01H C01I 120.8(3) . . ?
C01H C01I C018 122.3(2) . . ?
C01H C01I C017 119.1(3) . . ?
C018 C01I C017 118.6(3) . . ?
C01B C01J C01O 120.5(2) . . ?
O00G C01K N00R 123.6(2) . . ?
C01M C01L C01A 120.8(2) . . ?
C01L C01M C01D 120.1(2) . . ?
C016 C01O C01J 121.4(2) . . ?
C016 C01O C01A 118.8(2) . . ?
C01J C01O C01A 119.7(2) . . ?
C018 C01P C00Y 120.7(2) . . ?

_refine_diff_density_max         0.892
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.103

