# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_a180410b_sq
_database_code_depnum_ccdc_archive 'CCDC 1920170'
loop_
_audit_author_name
_audit_author_address
'En-Cui Yang'
;Tianjin Normal University
China
;
_audit_update_record             
;
2019-06-02 deposited with the CCDC.	2019-11-05 downloaded from the CCDC.
;
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H17 Eu N2 O7'
_chemical_formula_sum            'C25 H17 Eu N2 O7'
_chemical_formula_weight         609.36
_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 0.0181 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'
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'

_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           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   19.0174(12)
_cell_length_b                   7.6764(5)
_cell_length_c                   32.951(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4810.4(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3479
_cell_measurement_temperature    120.5(8)
_cell_measurement_theta_max      72.9540
_cell_measurement_theta_min      2.6600
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    19.081
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.12573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2400
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0752
_diffrn_reflns_av_unetI/netI     0.0851
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            10368
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.077
_diffrn_reflns_theta_max         67.077
_diffrn_reflns_theta_min         2.682
_diffrn_ambient_temperature      120.5(8)
_diffrn_detector_area_resol_mean 5.2740
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00   4.00   1.00    4.08    --  -41.49   0.00-150.00  123
  2  ω     40.00  66.00   1.00    4.08    --   41.49-125.00-150.00   26
  3  ω    106.00 161.00   1.00   26.29    --  107.08 125.00-120.00   55
  4  ω     66.00 135.00   1.00   26.29    --  107.08 -61.00-180.00   69
  5  ω     96.00 172.00   1.00   26.29    --  107.08 125.00-180.00   76
  6  ω     65.00 128.00   1.00   26.29    --  107.08 -45.00 -90.00   63
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3240
_reflns_number_total             4258
_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 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.750
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.162
_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     317
_refine_ls_number_reflns         4258
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0562
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0824P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1370
_refine_ls_wR_factor_ref         0.1504
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O7(H7A,H7B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C10(H10), C12(H12), C13(H13),
 C15(H15), C16(H16), C19(H19), C20(H20), C22(H22), C23(H23), C25(H25)
;
_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 0.28729(2) 0.30933(5) 0.56172(2) 0.01218(16) Uani 1 1 d . . . . .
O1 O 0.3777(2) 0.5177(6) 0.56159(17) 0.0239(11) Uani 1 1 d . . . . .
O2 O 0.3407(3) 0.7957(6) 0.56522(17) 0.0228(11) Uani 1 1 d . . . . .
O3 O 0.6594(3) 1.2228(7) 0.87361(14) 0.0218(10) Uani 1 1 d . . . . .
O4 O 0.7456(2) 1.0500(7) 0.89287(14) 0.0203(10) Uani 1 1 d . . . . .
O5 O 0.2565(2) 0.0596(7) 0.52293(15) 0.0216(10) Uani 1 1 d . . . . .
O6 O 0.2031(3) -0.1266(7) 0.48423(17) 0.0314(13) Uani 1 1 d . . . . .
O7 O 0.3896(2) 0.1378(7) 0.54468(16) 0.0243(11) Uani 1 1 d . . . . .
H7A H 0.3816 0.0147 0.5449 0.037 Uiso 1 1 d GR . . . .
H7B H 0.4282 0.1542 0.5629 0.037 Uiso 1 1 d GR . . . .
N1 N 0.9820(3) 0.7038(9) 0.5776(2) 0.0316(16) Uani 1 1 d . . . . .
N2 N 0.6578(3) 0.8522(8) 0.67954(18) 0.0220(12) Uani 1 1 d . . . . .
C1 C 0.8540(4) 0.7593(10) 0.6183(2) 0.0244(15) Uani 1 1 d . . . . .
C2 C 0.8574(4) 0.6814(11) 0.5809(2) 0.0288(17) Uani 1 1 d . . . . .
H2 H 0.8162 0.6441 0.5684 0.035 Uiso 1 1 calc R . . . .
C3 C 0.9215(4) 0.6573(13) 0.5613(3) 0.036(2) Uani 1 1 d . . . . .
H3 H 0.9217 0.6062 0.5357 0.043 Uiso 1 1 calc R . . . .
C4 C 0.9797(4) 0.7769(15) 0.6145(3) 0.047(3) Uani 1 1 d . . . . .
H4 H 1.0218 0.8085 0.6269 0.057 Uiso 1 1 calc R . . . .
C5 C 0.9171(5) 0.8077(14) 0.6352(3) 0.043(2) Uani 1 1 d . . . . .
H5 H 0.9180 0.8612 0.6605 0.052 Uiso 1 1 calc R . . . .
C6 C 0.7854(3) 0.7904(9) 0.6400(2) 0.0197(15) Uani 1 1 d . . . . .
C7 C 0.7836(3) 0.8438(10) 0.6800(2) 0.0211(14) Uani 1 1 d . . . . .
H7 H 0.8252 0.8609 0.6942 0.025 Uiso 1 1 calc R . . . .
C8 C 0.7189(4) 0.8722(10) 0.6990(2) 0.0219(15) Uani 1 1 d . . . . .
C9 C 0.6589(4) 0.8007(9) 0.6409(2) 0.0184(14) Uani 1 1 d . . . . .
C10 C 0.7213(3) 0.7693(10) 0.6200(2) 0.0212(15) Uani 1 1 d . . . . .
H10 H 0.7203 0.7346 0.5930 0.025 Uiso 1 1 calc R . . . .
C11 C 0.5890(4) 0.7777(10) 0.6207(2) 0.0227(15) Uani 1 1 d . . . . .
C12 C 0.5293(4) 0.8402(12) 0.6394(2) 0.0316(18) Uani 1 1 d . . . . .
H12 H 0.5327 0.8994 0.6639 0.038 Uiso 1 1 calc R . . . .
C13 C 0.4633(4) 0.8136(11) 0.6211(3) 0.0315(18) Uani 1 1 d . . . . .
H13 H 0.4233 0.8592 0.6334 0.038 Uiso 1 1 calc R . . . .
C14 C 0.4568(4) 0.7217(10) 0.5856(2) 0.0228(15) Uani 1 1 d . . . . .
C15 C 0.5167(4) 0.6604(13) 0.5666(2) 0.034(2) Uani 1 1 d . . . . .
H15 H 0.5134 0.5973 0.5426 0.041 Uiso 1 1 calc R . . . .
C16 C 0.5829(4) 0.6944(12) 0.5841(3) 0.0324(19) Uani 1 1 d . . . . .
H16 H 0.6234 0.6597 0.5704 0.039 Uiso 1 1 calc R . . . .
C17 C 0.3858(3) 0.6733(9) 0.5693(2) 0.0197(15) Uani 1 1 d . . . . .
C18 C 0.7153(4) 0.9271(10) 0.7420(2) 0.0231(15) Uani 1 1 d . . . . .
C19 C 0.7728(4) 0.9188(11) 0.7682(2) 0.0279(16) Uani 1 1 d . . . . .
H19 H 0.8155 0.8767 0.7585 0.034 Uiso 1 1 calc R . . . .
C20 C 0.7679(4) 0.9713(10) 0.8081(2) 0.0245(15) Uani 1 1 d . . . . .
H20 H 0.8073 0.9648 0.8248 0.029 Uiso 1 1 calc R . . . .
C21 C 0.7048(4) 1.0340(9) 0.8235(2) 0.0212(15) Uani 1 1 d . . . . .
C22 C 0.6472(4) 1.0425(11) 0.7979(2) 0.0274(16) Uani 1 1 d . . . . .
H22 H 0.6048 1.0842 0.8080 0.033 Uiso 1 1 calc R . . . .
C23 C 0.6508(4) 0.9916(11) 0.7583(2) 0.0272(17) Uani 1 1 d . . . . .
H23 H 0.6112 0.9990 0.7419 0.033 Uiso 1 1 calc R . . . .
C24 C 0.7030(4) 1.1049(9) 0.8657(2) 0.0197(14) Uani 1 1 d . . . . .
C25 C 0.2315(4) 0.0171(10) 0.4893(2) 0.0263(16) Uani 1 1 d . . . . .
H25 H 0.2343 0.0946 0.4676 0.032 Uiso 1 1 calc R . . . .


_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 4.0918(3) 8_665 ?
Eu1 O1 2.349(4) . ?
Eu1 O2 2.439(5) 8_655 ?
Eu1 O3 2.452(5) 3_646 ?
Eu1 O4 2.568(5) 3_646 ?
Eu1 O4 2.506(5) 6_557 ?
Eu1 O5 2.378(5) . ?
Eu1 O5 2.453(5) 8_665 ?
Eu1 O6 2.606(6) 8_665 ?
Eu1 O7 2.416(5) . ?
Eu1 C24 2.865(7) 3_646 ?
Eu1 C25 2.893(7) 8_665 ?
O1 C17 1.231(9) . ?
O2 Eu1 2.439(5) 8_665 ?
O2 C17 1.280(9) . ?
O3 Eu1 2.452(5) 3_666 ?
O3 C24 1.255(9) . ?
O4 Eu1 2.568(5) 3_666 ?
O4 Eu1 2.506(5) 6_667 ?
O4 C24 1.278(9) . ?
O5 Eu1 2.453(5) 8_655 ?
O5 C25 1.250(9) . ?
O6 Eu1 2.607(6) 8_655 ?
O6 C25 1.239(10) . ?
O7 H7A 0.9573 . ?
O7 H7B 0.9558 . ?
N1 C3 1.319(12) . ?
N1 C4 1.340(13) . ?
N2 C8 1.335(9) . ?
N2 C9 1.334(9) . ?
C1 C2 1.372(11) . ?
C1 C5 1.373(12) . ?
C1 C6 1.506(10) . ?
C2 H2 0.9300 . ?
C2 C3 1.392(11) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C4 C5 1.392(12) . ?
C5 H5 0.9300 . ?
C6 C7 1.379(11) . ?
C6 C10 1.395(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.397(10) . ?
C8 C18 1.482(11) . ?
C9 C10 1.394(10) . ?
C9 C11 1.497(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(11) . ?
C11 C16 1.369(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.407(11) . ?
C13 H13 0.9300 . ?
C13 C14 1.372(11) . ?
C14 C15 1.382(11) . ?
C14 C17 1.500(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.408(11) . ?
C16 H16 0.9300 . ?
C18 C19 1.394(10) . ?
C18 C23 1.428(10) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(11) . ?
C20 H20 0.9300 . ?
C20 C21 1.391(10) . ?
C21 C22 1.384(10) . ?
C21 C24 1.493(10) . ?
C22 H22 0.9300 . ?
C22 C23 1.364(11) . ?
C23 H23 0.9300 . ?
C24 Eu1 2.865(7) 3_666 ?
C25 Eu1 2.893(7) 8_655 ?
C25 H25 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
O1 Eu1 Eu1 67.36(13) . 8_665 ?
O1 Eu1 O2 139.47(16) . 8_655 ?
O1 Eu1 O3 83.29(17) . 3_646 ?
O1 Eu1 O4 135.02(17) . 3_646 ?
O1 Eu1 O4 74.39(17) . 6_557 ?
O1 Eu1 O5 73.39(17) . 8_665 ?
O1 Eu1 O5 136.77(18) . . ?
O1 Eu1 O6 79.55(19) . 8_665 ?
O1 Eu1 O7 77.33(18) . . ?
O1 Eu1 C24 109.1(2) . 3_646 ?
O1 Eu1 C25 73.4(2) . 8_665 ?
O2 Eu1 Eu1 72.21(11) 8_655 8_665 ?
O2 Eu1 O3 111.12(17) 8_655 3_646 ?
O2 Eu1 O4 72.31(16) 8_655 3_646 ?
O2 Eu1 O4 71.80(16) 8_655 6_557 ?
O2 Eu1 O5 73.72(16) 8_655 8_665 ?
O2 Eu1 O6 97.13(18) 8_655 8_665 ?
O2 Eu1 C24 90.07(19) 8_655 3_646 ?
O2 Eu1 C25 86.5(2) 8_655 8_665 ?
O3 Eu1 Eu1 113.43(12) 3_646 8_665 ?
O3 Eu1 O4 51.99(15) 3_646 3_646 ?
O3 Eu1 O4 79.15(16) 3_646 6_557 ?
O3 Eu1 O5 143.66(16) 3_646 8_665 ?
O3 Eu1 O6 150.87(17) 3_646 8_665 ?
O3 Eu1 C24 25.84(19) 3_646 3_646 ?
O3 Eu1 C25 156.6(2) 3_646 8_665 ?
O4 Eu1 Eu1 130.01(11) 3_646 8_665 ?
O4 Eu1 Eu1 36.76(11) 6_557 8_665 ?
O4 Eu1 O4 98.43(14) 6_557 3_646 ?
O4 Eu1 O6 117.91(17) 6_557 8_665 ?
O4 Eu1 O6 137.22(17) 3_646 8_665 ?
O4 Eu1 C24 85.75(18) 6_557 3_646 ?
O4 Eu1 C24 26.48(18) 3_646 3_646 ?
O4 Eu1 C25 151.42(19) 3_646 8_665 ?
O4 Eu1 C25 92.72(19) 6_557 8_665 ?
O5 Eu1 Eu1 132.14(12) . 8_665 ?
O5 Eu1 Eu1 31.55(11) 8_665 8_665 ?
O5 Eu1 O2 75.21(16) . 8_655 ?
O5 Eu1 O3 110.53(17) . 3_646 ?
O5 Eu1 O4 146.87(16) . 6_557 ?
O5 Eu1 O4 68.16(17) . 3_646 ?
O5 Eu1 O4 145.92(16) 8_665 3_646 ?
O5 Eu1 O4 68.07(16) 8_665 6_557 ?
O5 Eu1 O5 105.53(16) . 8_665 ?
O5 Eu1 O6 69.06(18) . 8_665 ?
O5 Eu1 O6 50.62(17) 8_665 8_665 ?
O5 Eu1 O7 68.54(17) . . ?
O5 Eu1 C24 91.30(19) . 3_646 ?
O5 Eu1 C24 152.31(18) 8_665 3_646 ?
O5 Eu1 C25 25.4(2) 8_665 8_665 ?
O5 Eu1 C25 88.30(19) . 8_665 ?
O6 Eu1 Eu1 81.22(12) 8_665 8_665 ?
O6 Eu1 C24 156.34(19) 8_665 3_646 ?
O6 Eu1 C25 25.4(2) 8_665 8_665 ?
O7 Eu1 Eu1 142.22(13) . 8_665 ?
O7 Eu1 O2 142.33(16) . 8_655 ?
O7 Eu1 O3 73.79(17) . 3_646 ?
O7 Eu1 O4 142.69(17) . 6_557 ?
O7 Eu1 O4 84.78(17) . 3_646 ?
O7 Eu1 O5 125.38(17) . 8_665 ?
O7 Eu1 O6 79.56(18) . 8_665 ?
O7 Eu1 C24 81.00(19) . 3_646 ?
O7 Eu1 C25 102.0(2) . 8_665 ?
C24 Eu1 Eu1 122.41(14) 3_646 8_665 ?
C24 Eu1 C25 176.6(2) 3_646 8_665 ?
C25 Eu1 Eu1 55.96(16) 8_665 8_665 ?
C17 O1 Eu1 138.8(5) . . ?
C17 O2 Eu1 134.9(4) . 8_665 ?
C24 O3 Eu1 95.8(4) . 3_666 ?
Eu1 O4 Eu1 107.50(17) 6_667 3_666 ?
C24 O4 Eu1 89.9(4) . 3_666 ?
C24 O4 Eu1 149.5(5) . 6_667 ?
Eu1 O5 Eu1 115.78(19) . 8_655 ?
C25 O5 Eu1 97.4(4) . 8_655 ?
C25 O5 Eu1 141.4(5) . . ?
C25 O6 Eu1 90.4(4) . 8_655 ?
Eu1 O7 H7A 114.1 . . ?
Eu1 O7 H7B 113.6 . . ?
H7A O7 H7B 104.3 . . ?
C3 N1 C4 117.0(7) . . ?
C9 N2 C8 118.6(6) . . ?
C2 C1 C5 116.2(7) . . ?
C2 C1 C6 122.4(7) . . ?
C5 C1 C6 121.5(7) . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 121.0(8) . . ?
C3 C2 H2 119.5 . . ?
N1 C3 C2 122.7(8) . . ?
N1 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
N1 C4 H4 118.5 . . ?
N1 C4 C5 122.9(8) . . ?
C5 C4 H4 118.5 . . ?
C1 C5 C4 120.3(8) . . ?
C1 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C7 C6 C1 121.5(6) . . ?
C7 C6 C10 117.6(6) . . ?
C10 C6 C1 121.0(7) . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.8(6) . . ?
C8 C7 H7 120.1 . . ?
N2 C8 C7 122.2(7) . . ?
N2 C8 C18 116.9(6) . . ?
C7 C8 C18 120.9(6) . . ?
N2 C9 C10 122.4(6) . . ?
N2 C9 C11 116.5(6) . . ?
C10 C9 C11 121.1(6) . . ?
C6 C10 H10 120.3 . . ?
C9 C10 C6 119.5(7) . . ?
C9 C10 H10 120.3 . . ?
C12 C11 C9 119.3(6) . . ?
C16 C11 C9 121.5(7) . . ?
C16 C11 C12 119.2(7) . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.5(7) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 119.4 . . ?
C14 C13 C12 121.3(7) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C15 119.2(7) . . ?
C13 C14 C17 120.9(7) . . ?
C15 C14 C17 119.7(7) . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.3(7) . . ?
C16 C15 H15 120.4 . . ?
C11 C16 C15 121.4(7) . . ?
C11 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
O1 C17 O2 127.3(6) . . ?
O1 C17 C14 115.3(6) . . ?
O2 C17 C14 117.4(6) . . ?
C19 C18 C8 123.0(7) . . ?
C19 C18 C23 117.2(7) . . ?
C23 C18 C8 119.9(6) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 C18 121.7(7) . . ?
C20 C19 H19 119.2 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(7) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C24 119.2(7) . . ?
C22 C21 C20 118.4(7) . . ?
C22 C21 C24 122.2(7) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 C21 122.0(7) . . ?
C23 C22 H22 119.0 . . ?
C18 C23 H23 119.9 . . ?
C22 C23 C18 120.2(7) . . ?
C22 C23 H23 119.9 . . ?
O3 C24 Eu1 58.3(3) . 3_666 ?
O3 C24 O4 120.8(6) . . ?
O3 C24 C21 118.0(6) . . ?
O4 C24 Eu1 63.7(3) . 3_666 ?
O4 C24 C21 121.1(6) . . ?
C21 C24 Eu1 167.1(5) . 3_666 ?
Eu1 C25 H25 172.8 8_655 . ?
O5 C25 Eu1 57.2(4) . 8_655 ?
O5 C25 H25 119.5 . . ?
O6 C25 Eu1 64.3(4) . 8_655 ?
O6 C25 O5 121.1(7) . . ?
O6 C25 H25 119.5 . . ?

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 C17 O2 -31.5(13) . . . . ?
Eu1 O1 C17 C14 148.1(6) . . . . ?
Eu1 O2 C17 O1 22.4(12) 8_665 . . . ?
Eu1 O2 C17 C14 -157.2(5) 8_665 . . . ?
Eu1 O3 C24 O4 12.9(7) 3_666 . . . ?
Eu1 O3 C24 C21 -165.7(5) 3_666 . . . ?
Eu1 O4 C24 Eu1 126.0(8) 6_667 . . 3_666 ?
Eu1 O4 C24 O3 113.8(8) 6_667 . . . ?
Eu1 O4 C24 O3 -12.2(7) 3_666 . . . ?
Eu1 O4 C24 C21 -67.7(11) 6_667 . . . ?
Eu1 O4 C24 C21 166.3(6) 3_666 . . . ?
Eu1 O5 C25 Eu1 -150.0(8) . . . 8_655 ?
Eu1 O5 C25 O6 -157.4(5) . . . . ?
Eu1 O5 C25 O6 -7.5(8) 8_655 . . . ?
Eu1 O6 C25 O5 7.0(8) 8_655 . . . ?
N1 C4 C5 C1 1.5(18) . . . . ?
N2 C8 C18 C19 166.5(7) . . . . ?
N2 C8 C18 C23 -13.4(11) . . . . ?
N2 C9 C10 C6 0.6(11) . . . . ?
N2 C9 C11 C12 12.0(11) . . . . ?
N2 C9 C11 C16 -167.4(8) . . . . ?
C1 C2 C3 N1 1.4(15) . . . . ?
C1 C6 C7 C8 179.7(7) . . . . ?
C1 C6 C10 C9 -179.4(7) . . . . ?
C2 C1 C5 C4 -0.1(15) . . . . ?
C2 C1 C6 C7 169.8(8) . . . . ?
C2 C1 C6 C10 -11.4(11) . . . . ?
C3 N1 C4 C5 -1.4(16) . . . . ?
C4 N1 C3 C2 0.0(15) . . . . ?
C5 C1 C2 C3 -1.3(13) . . . . ?
C5 C1 C6 C7 -10.0(12) . . . . ?
C5 C1 C6 C10 168.7(8) . . . . ?
C6 C1 C2 C3 178.9(8) . . . . ?
C6 C1 C5 C4 179.8(9) . . . . ?
C6 C7 C8 N2 -1.2(12) . . . . ?
C6 C7 C8 C18 179.1(7) . . . . ?
C7 C6 C10 C9 -0.6(11) . . . . ?
C7 C8 C18 C19 -13.8(12) . . . . ?
C7 C8 C18 C23 166.3(8) . . . . ?
C8 N2 C9 C10 -0.9(11) . . . . ?
C8 N2 C9 C11 179.1(6) . . . . ?
C8 C18 C19 C20 179.8(8) . . . . ?
C8 C18 C23 C22 -179.9(8) . . . . ?
C9 N2 C8 C7 1.2(11) . . . . ?
C9 N2 C8 C18 -179.1(7) . . . . ?
C9 C11 C12 C13 -177.9(7) . . . . ?
C9 C11 C16 C15 174.8(8) . . . . ?
C10 C6 C7 C8 0.9(11) . . . . ?
C10 C9 C11 C12 -168.0(8) . . . . ?
C10 C9 C11 C16 12.6(11) . . . . ?
C11 C9 C10 C6 -179.3(7) . . . . ?
C11 C12 C13 C14 2.1(14) . . . . ?
C12 C11 C16 C15 -4.6(14) . . . . ?
C12 C13 C14 C15 -2.7(13) . . . . ?
C12 C13 C14 C17 171.7(8) . . . . ?
C13 C14 C15 C16 -0.3(14) . . . . ?
C13 C14 C17 O1 -127.1(8) . . . . ?
C13 C14 C17 O2 52.6(10) . . . . ?
C14 C15 C16 C11 4.0(15) . . . . ?
C15 C14 C17 O1 47.3(11) . . . . ?
C15 C14 C17 O2 -133.1(8) . . . . ?
C16 C11 C12 C13 1.5(13) . . . . ?
C17 C14 C15 C16 -174.8(8) . . . . ?
C18 C19 C20 C21 0.3(13) . . . . ?
C19 C18 C23 C22 0.2(12) . . . . ?
C19 C20 C21 C22 -0.1(11) . . . . ?
C19 C20 C21 C24 -174.5(7) . . . . ?
C20 C21 C22 C23 0.0(12) . . . . ?
C20 C21 C24 Eu1 80(2) . . . 3_666 ?
C20 C21 C24 O3 150.0(7) . . . . ?
C20 C21 C24 O4 -28.6(10) . . . . ?
C21 C22 C23 C18 0.0(13) . . . . ?
C22 C21 C24 Eu1 -94(2) . . . 3_666 ?
C22 C21 C24 O3 -24.2(10) . . . . ?
C22 C21 C24 O4 157.3(7) . . . . ?
C23 C18 C19 C20 -0.3(12) . . . . ?
C24 C21 C22 C23 174.1(7) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
1 1 0 6.217
3 1 0 9.075
1 3 1 17.752
2 0 2 5.371
4 0 2 9.716
1 1 2 6.775
0 0 4 5.370
2 0 4 7.113
4 0 4 10.790
1 1 4 8.229
3 1 4 10.567
2 0 6 9.329

_platon_squeeze_details          
;
TITL A180410b  P b c n      R = 0.07
CELL   19.0174    7.6764   32.9510     90.00     90.00     90.00
SPGR Pbcn
# Solvent Accessible Volume =     588.0
# Electrons Found in S.A.V. =     157.7
# Note: Atoms in Void as Cxxx and Qxxx all others
C101 0.500 0.500 0.249 !       6.58 eA-3
C102 0.500 0.781 0.249 !       3.96 eA-3
Q103 0.714 0.688 0.468 !       2.93 eA-3
Q104 0.284 0.676 0.095 !       2.84 eA-3
C105 0.958 0.989 0.296 !       2.61 eA-3
C106 0.482 0.654 0.231 !       2.46 eA-3
C107 0.544 0.336 0.256 !       2.31 eA-3
Q108 0.784 0.941 0.451 !       1.11 eA-3
C109 0.985 0.725 0.260 !       1.08 eA-3
Q110 0.135 0.977 0.085 !       1.07 eA-3
Q111 0.519 0.496 0.359 !       1.05 eA-3
C112 0.561 0.510 0.218 !       1.03 eA-3
Q113 0.784 0.097 0.434 !       1.00 eA-3
Q114 0.905 0.967 0.125 !       0.97 eA-3
Q115 0.603 0.501 0.401 !       0.95 eA-3
Q116 0.362 0.779 0.492 !       0.95 eA-3
Q117 0.211 0.497 0.162 !       0.94 eA-3
Q118 0.764 0.808 0.449 !       0.94 eA-3
Q119 0.753 0.347 0.422 !       0.94 eA-3
Q120 0.815 0.349 0.439 !       0.92 eA-3
Q121 0.292 0.262 0.494 !       0.90 eA-3
Q122 0.261 0.029 0.137 !       0.89 eA-3
Q123 0.297 0.776 0.108 !       0.89 eA-3
Q124 0.734 0.187 0.492 !       0.89 eA-3
Q125 0.828 0.493 0.359 !       0.89 eA-3
Q126 0.782 0.812 0.432 !       0.88 eA-3
Q127 0.720 0.966 0.451 !       0.87 eA-3
Q128 0.716 0.493 0.344 !       0.87 eA-3
Q129 0.676 0.499 0.319 !       0.87 eA-3
Q130 0.107 0.994 0.494 !       0.86 eA-3
Q131 0.045 0.973 0.354 !       0.86 eA-3
Q132 0.154 0.349 0.067 !       0.85 eA-3
Q133 0.449 0.844 0.220 !       0.85 eA-3
Q134 0.733 0.068 0.427 !       0.85 eA-3
Q135 0.702 0.299 0.058 !       0.85 eA-3
Q136 0.098 0.997 0.414 !       0.84 eA-3
Q137 0.637 1.001 0.140 !       0.84 eA-3
Q138 0.293 0.504 0.389 !       0.84 eA-3
Q139 0.357 0.505 0.389 !       0.84 eA-3
Q140 0.871 0.332 0.319 !       0.83 eA-3
Q141 0.713 0.629 0.031 !       0.83 eA-3
Q142 0.139 0.561 0.085 !       0.82 eA-3
Q143 0.637 0.335 0.280 !       0.82 eA-3
Q144 0.707 0.967 0.419 !       0.81 eA-3
Q145 0.561 0.506 0.180 !       0.81 eA-3
Q146 0.267 0.690 0.302 !       0.80 eA-3
C147 0.559 0.476 0.337 !       0.80 eA-3
Q148 0.817 0.718 0.481 !       0.80 eA-3
Q149 0.254 0.507 0.182 !       0.79 eA-3
Q150 0.827 0.989 0.397 !       0.79 eA-3
Q151 0.331 1.006 0.382 !       0.78 eA-3
Q152 0.360 0.198 0.484 !       0.78 eA-3
Q153 0.298 0.992 0.356 !       0.77 eA-3
Q154 0.284 0.457 0.244 !       0.77 eA-3
C155 0.421 0.661 0.241 !       0.76 eA-3
Q156 0.403 0.494 0.030 !       0.76 eA-3
Q157 0.800 0.305 0.284 !       0.76 eA-3
Q158 0.136 0.997 0.321 !       0.75 eA-3
Q159 0.174 0.197 0.234 !       0.75 eA-3
Q160 0.474 0.644 0.327 !       0.75 eA-3
Q161 0.330 1.001 0.180 !       0.75 eA-3
Q162 0.863 0.849 0.350 !       0.74 eA-3
Q163 0.846 0.064 0.434 !       0.73 eA-3
Q164 0.405 1.008 0.257 !       0.73 eA-3
Q165 0.987 0.489 0.089 !       0.73 eA-3
Q166 0.875 1.007 0.261 !       0.73 eA-3
Q167 0.956 0.654 0.416 !       0.72 eA-3
Q168 0.727 0.183 0.217 !       0.72 eA-3
Q169 0.786 0.312 0.462 !       0.72 eA-3
C170 0.495 0.269 0.280 !       0.72 eA-3
Q171 0.016 0.817 0.313 !       0.72 eA-3
Q172 0.139 0.513 0.117 !       0.72 eA-3
Q173 0.627 0.841 0.242 !       0.71 eA-3
Q174 0.550 0.143 0.039 !       0.70 eA-3
Q175 0.550 0.347 0.497 !       0.70 eA-3
Q176 0.596 0.166 0.182 !       0.70 eA-3
Q177 0.010 0.755 0.467 !       0.70 eA-3
Q178 0.779 0.563 0.454 !       0.69 eA-3
Q179 0.211 0.663 0.266 !       0.69 eA-3
Q180 0.637 0.305 0.474 !       0.69 eA-3
Q181 0.024 0.973 0.338 !       0.69 eA-3
Q182 0.054 0.320 0.259 !       0.68 eA-3
Q183 0.451 0.664 0.299 !       0.68 eA-3
Q184 0.908 0.494 0.162 !       0.68 eA-3
Q185 0.360 1.005 0.428 !       0.68 eA-3
Q186 0.762 0.493 0.048 !       0.68 eA-3
Q187 0.911 0.215 0.491 !       0.67 eA-3
Q188 0.781 0.809 0.208 !       0.67 eA-3
Q189 0.629 0.158 0.206 !       0.67 eA-3
Q190 0.055 0.984 0.126 !       0.67 eA-3
Q191 0.955 0.817 0.391 !       0.67 eA-3
Q192 0.589 0.851 0.333 !       0.66 eA-3
Q193 0.363 0.157 0.142 !       0.66 eA-3
Q194 0.423 0.687 0.327 !       0.66 eA-3
Q195 0.875 0.962 0.147 !       0.66 eA-3
Q196 0.364 0.966 0.205 !       0.66 eA-3
Q197 0.298 0.661 0.132 !       0.66 eA-3
Q198 0.436 1.001 0.322 !       0.66 eA-3
Q199 0.131 0.689 0.033 !       0.66 eA-3
;
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 0.000 -0.006 0.250 143 40 ' '
2 0.000 0.006 0.750 143 40 ' '
3 0.500 0.494 0.250 143 40 ' '
4 0.500 0.506 0.750 143 40 ' '

_platon_squeeze_void_probe_radius 1.20

_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
;
