# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_Comp-6
_database_code_depnum_ccdc_archive 'CCDC 1455818'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_audit_creation_date             2016-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C8 H6 Cl Eu O5'
_chemical_formula_sum            'C8 H6 Cl Eu O5'
_chemical_formula_weight         369.54
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   10.8775(4)
_cell_length_b                   12.9198(4)
_cell_length_c                   7.1307(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.352(4)
_cell_angle_gamma                90.00
_cell_volume                     975.03(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5076
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1460
_cell_measurement_theta_min      4.2960
_exptl_absorpt_coefficient_mu    6.702
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.517
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            9137
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.49
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating-anode generator'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                1597
_reflns_number_total             1715
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_refine_diff_density_max         0.931
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       0.0138(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1715
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0206
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0343P)²+0.8365P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0555
_refine_ls_wR_factor_ref         0.0571
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 H1WA-O1W
 0.95 with sigma of 0.01
 H1WB-O1W
 0.95 with sigma of 0.01
 H1WA-H1WB
 1.55 with sigma of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C12(H12A), C13(H13A), C15(H15A), C16(H16A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Eu1 Eu 0.399213(17) 0.876556(15) 0.19472(3) 0.00836(13) Uani 1 d . . .
Cl1 Cl 0.51860(10) 0.71518(8) 0.42378(15) 0.0185(2) Uani 1 d . . .
O11 O 0.2240(3) 0.7736(2) 0.0569(4) 0.0209(7) Uani 1 d . . .
O12 O 0.2910(3) 0.6325(2) -0.0660(4) 0.0154(7) Uani 1 d . . .
O13 O -0.3906(2) 0.5700(2) -0.2126(4) 0.0158(7) Uani 1 d . . .
O14 O -0.3264(3) 0.4783(2) -0.4354(4) 0.0213(7) Uani 1 d . . .
C11 C 0.0709(4) 0.6511(3) -0.0962(6) 0.0136(9) Uani 1 d . . .
C12 C -0.0282(4) 0.7049(3) -0.0517(6) 0.0193(9) Uani 1 d . . .
H12A H -0.0127 0.7655 0.0201 0.023 Uiso 1 calc . . R
C13 C -0.1510(4) 0.6686(3) -0.1142(6) 0.0170(9) Uani 1 d . . .
H13A H -0.2178 0.7045 -0.0833 0.020 Uiso 1 calc . . R
C14 C -0.1741(4) 0.5772(3) -0.2245(5) 0.0126(9) Uani 1 d . . .
C15 C -0.0737(4) 0.5247(3) -0.2696(6) 0.0167(9) Uani 1 d . . .
H15A H -0.0883 0.4648 -0.3436 0.020 Uiso 1 calc . . R
C16 C 0.0478(4) 0.5611(3) -0.2050(6) 0.0151(9) Uani 1 d . . .
H16A H 0.1149 0.5250 -0.2346 0.018 Uiso 1 calc . . R
C17 C 0.2044(4) 0.6889(3) -0.0301(6) 0.0129(8) Uani 1 d . . .
C18 C -0.3055(4) 0.5390(3) -0.2952(5) 0.0119(8) Uani 1 d . . .
O1W O 0.3774(3) 1.0470(2) 0.3203(5) 0.0277(8) Uani 1 d . . D
H1WB H 0.409(5) 1.107(2) 0.271(7) 0.026(14) Uiso 1 d . . D
H1WA H 0.350(6) 1.064(4) 0.433(5) 0.06(2) Uiso 1 d . . D


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Cl1 2.7788(10) . ?
Eu1 Cl1 2.8253(10) 4_575 ?
Eu1 O11 2.346(3) . ?
Eu1 O12 2.289(3) 4_576 ?
Eu1 O13 2.333(3) 4_676 ?
Eu1 O14 2.258(3) 2_554 ?
Eu1 O1W 2.409(3) . ?
Cl1 Eu1 2.8253(10) 4_576 ?
O11 C17 1.252(5) . ?
O12 Eu1 2.289(3) 4_575 ?
O12 C17 1.263(5) . ?
O13 Eu1 2.333(3) 4_475 ?
O13 C18 1.272(5) . ?
O14 Eu1 2.258(3) 2_544 ?
O14 C18 1.249(5) . ?
C11 C12 1.380(6) . ?
C11 C16 1.388(6) . ?
C11 C17 1.501(6) . ?
C12 H12A 0.9300 . ?
C12 C13 1.389(6) . ?
C13 H13A 0.9300 . ?
C13 C14 1.408(6) . ?
C14 C15 1.386(6) . ?
C14 C18 1.486(6) . ?
C15 H15A 0.9300 . ?
C15 C16 1.377(6) . ?
C16 H16A 0.9300 . ?
O1W H1WB 0.945(10) . ?
O1W H1WA 0.948(10) . ?

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
Cl1 Eu1 Cl1 82.01(2) . 4_575 ?
O11 Eu1 Cl1 86.16(7) . 4_575 ?
O11 Eu1 Cl1 92.58(8) . . ?
O11 Eu1 O1W 122.25(11) . . ?
O12 Eu1 Cl1 152.27(7) 4_576 4_575 ?
O12 Eu1 Cl1 76.97(7) 4_576 . ?
O12 Eu1 O11 77.02(10) 4_576 . ?
O12 Eu1 O13 116.29(10) 4_576 4_676 ?
O12 Eu1 O1W 69.98(10) 4_576 . ?
O13 Eu1 Cl1 75.10(7) 4_676 4_575 ?
O13 Eu1 Cl1 76.19(8) 4_676 . ?
O13 Eu1 O11 159.20(10) 4_676 . ?
O13 Eu1 O1W 78.37(11) 4_676 . ?
O14 Eu1 Cl1 79.27(8) 2_554 4_575 ?
O14 Eu1 Cl1 161.10(8) 2_554 . ?
O14 Eu1 O11 83.66(11) 2_554 . ?
O14 Eu1 O12 119.78(11) 2_554 4_576 ?
O14 Eu1 O13 101.26(11) 2_554 4_676 ?
O14 Eu1 O1W 74.12(11) 2_554 . ?
O1W Eu1 Cl1 122.69(8) . . ?
O1W Eu1 Cl1 137.55(8) . 4_575 ?
Eu1 Cl1 Eu1 119.37(4) . 4_576 ?
C17 O11 Eu1 137.1(3) . . ?
C17 O12 Eu1 135.8(3) . 4_575 ?
C18 O13 Eu1 137.1(2) . 4_475 ?
C18 O14 Eu1 170.2(3) . 2_544 ?
C12 C11 C16 120.0(4) . . ?
C12 C11 C17 121.0(4) . . ?
C16 C11 C17 119.1(4) . . ?
C11 C12 H12A 120.0 . . ?
C11 C12 C13 120.1(4) . . ?
C13 C12 H12A 120.0 . . ?
C12 C13 H13A 120.1 . . ?
C12 C13 C14 119.8(4) . . ?
C14 C13 H13A 120.1 . . ?
C13 C14 C18 120.1(4) . . ?
C15 C14 C13 119.4(4) . . ?
C15 C14 C18 120.4(4) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 C14 120.2(4) . . ?
C16 C15 H15A 119.9 . . ?
C11 C16 H16A 119.7 . . ?
C15 C16 C11 120.6(4) . . ?
C15 C16 H16A 119.7 . . ?
O11 C17 O12 123.7(4) . . ?
O11 C17 C11 118.8(4) . . ?
O12 C17 C11 117.5(4) . . ?
O13 C18 C14 118.9(3) . . ?
O14 C18 O13 123.4(4) . . ?
O14 C18 C14 117.6(3) . . ?
Eu1 O1W H1WB 122(3) . . ?
Eu1 O1W H1WA 127(3) . . ?
H1WB O1W H1WA 110.1(16) . . ?

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 O11 C17 O12 0.3(7) . . . . ?
Eu1 O11 C17 C11 -179.8(3) . . . . ?
Eu1 O12 C17 O11 -85.8(5) 4_575 . . . ?
Eu1 O12 C17 C11 94.2(4) 4_575 . . . ?
Eu1 O13 C18 O14 -40.8(6) 4_475 . . . ?
Eu1 O13 C18 C14 138.5(3) 4_475 . . . ?
Eu1 O14 C18 O13 18.6(19) 2_544 . . . ?
Eu1 O14 C18 C14 -160.6(14) 2_544 . . . ?
Cl1 Eu1 Cl1 Eu1 -146.10(4) 4_575 . . 4_576 ?
Cl1 Eu1 O11 C17 27.3(4) 4_575 . . . ?
Cl1 Eu1 O11 C17 -54.5(4) . . . . ?
O11 Eu1 Cl1 Eu1 -60.34(8) . . . 4_576 ?
O12 Eu1 Cl1 Eu1 15.70(8) 4_576 . . 4_576 ?
O12 Eu1 O11 C17 -130.5(4) 4_576 . . . ?
O13 Eu1 Cl1 Eu1 137.37(8) 4_676 . . 4_576 ?
O13 Eu1 O11 C17 1.8(6) 4_676 . . . ?
O14 Eu1 Cl1 Eu1 -138.2(2) 2_554 . . 4_576 ?
O14 Eu1 O11 C17 106.9(4) 2_554 . . . ?
C11 C12 C13 C14 -0.6(7) . . . . ?
C12 C11 C16 C15 0.0(7) . . . . ?
C12 C11 C17 O11 -4.1(6) . . . . ?
C12 C11 C17 O12 175.8(4) . . . . ?
C12 C13 C14 C15 -0.1(7) . . . . ?
C12 C13 C14 C18 -178.8(4) . . . . ?
C13 C14 C15 C16 0.8(6) . . . . ?
C13 C14 C18 O13 -20.1(6) . . . . ?
C13 C14 C18 O14 159.2(4) . . . . ?
C14 C15 C16 C11 -0.7(6) . . . . ?
C15 C14 C18 O13 161.2(4) . . . . ?
C15 C14 C18 O14 -19.5(6) . . . . ?
C16 C11 C12 C13 0.6(7) . . . . ?
C16 C11 C17 O11 175.3(4) . . . . ?
C16 C11 C17 O12 -4.8(6) . . . . ?
C17 C11 C12 C13 -180.0(4) . . . . ?
C17 C11 C16 C15 -179.4(4) . . . . ?
C18 C14 C15 C16 179.4(4) . . . . ?
O1W Eu1 Cl1 Eu1 71.23(11) . . . 4_576 ?
O1W Eu1 O11 C17 173.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Comp-4
_database_code_depnum_ccdc_archive 'CCDC 1455819'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_audit_creation_date             2016-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C16 H8 Cl Eu O8, C6 H11 N2'
_chemical_formula_sum            'C22 H19 Cl Eu N2 O8'
_chemical_formula_weight         626.82
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Eu -0.00847 3.77655 24.62740 19.08860 13.76030 2.92270 2.38790 0.19420 13.75460
123.17400 2.57450008392
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2ybc (x-z,y,z)'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   13.0533(4)
_cell_length_b                   13.1471(3)
_cell_length_c                   14.0537(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.088(3)
_cell_angle_gamma                90
_cell_volume                     2339.26(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5906
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9470
_cell_measurement_theta_min      3.9960
_exptl_absorpt_coefficient_mu    2.846
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.7797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1237.1535
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_exptl_special_details           
;
 ?                                                                 
;
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0720
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12986
_diffrn_reflns_theta_full        25.0270
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.40
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.9918
_diffrn_measured_fraction_theta_max 0.9918
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -15
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              16
_reflns_limit_l_min              -9
_reflns_number_gt                3289
_reflns_number_total             4093
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.3536
_refine_diff_density_min         -0.9735
_refine_diff_density_rms         0.2136
_refine_ls_d_res_high            0.8400
_refine_ls_d_res_low             5.9857
_refine_ls_goodness_of_fit_ref   1.0352
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    33
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4093
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0436
_refine_ls_restrained_S_all      1.0338
_refine_ls_shift/su_max          0.0008
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0632P)²+9.5868P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1264
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C5-C6
 1.5 with sigma of 0.02
3. Rigid bond restraints
 C5, C6
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.002
 N2, C5
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.005
 O14, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
Uanis(C6) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.002
5.a Secondary CH2 refined with riding coordinates:
 C5(H5a,H5b)
5.b Me refined with riding coordinates:
 C4(H4a,H4b,H4c), C6(H6a,H6b,H6c)
5.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C32(H32),
 C33(H33), C1(H1), C2(H2), C3(H3)
;
_atom_sites_solution_primary     dual
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_refinement_flags_posn
_atom_site_refinement_flags_adp
Eu1 Eu 0.59068(3) 0.05284(2) 0.91193(2) 0.01748(15) Uani 1.000000 . .
Cl1 Cl 0.80191(13) 0.13799(12) 0.92281(13) 0.0212(4) Uani 1.000000 . .
O11 O 0.4632(4) -0.0699(4) 0.8332(4) 0.0334(13) Uani 1.000000 . .
O12 O 0.3499(4) -0.1124(4) 0.9245(4) 0.0313(13) Uani 1.000000 . .
O13 O 0.2033(4) -0.4072(4) 0.4728(4) 0.0315(13) Uani 1.000000 . .
O14 O 0.0688(4) -0.4140(4) 0.5418(4) 0.0247(11) Uani 1.000000 . U
C11 C 0.3214(6) -0.1795(5) 0.7643(5) 0.0231(16) Uani 1.000000 . .
C12 C 0.3443(6) -0.1785(6) 0.6728(5) 0.0315(19) Uani 1.000000 . .
H12 H 0.3947(6) -0.1339(6) 0.6603(5) 0.038(2) Uiso 1.000000 R .
C13 C 0.2922(6) -0.2436(6) 0.6008(5) 0.0318(18) Uani 1.000000 . .
H13 H 0.3102(6) -0.2449(6) 0.5407(5) 0.038(2) Uiso 1.000000 R .
C14 C 0.2131(6) -0.3076(5) 0.6162(5) 0.0225(16) Uani 1.000000 . .
C15 C 0.1877(6) -0.3061(6) 0.7063(5) 0.0285(17) Uani 1.000000 . .
H15 H 0.1338(6) -0.3475(6) 0.7171(5) 0.034(2) Uiso 1.000000 R .
C16 C 0.2425(6) -0.2428(6) 0.7806(5) 0.0276(17) Uani 1.000000 . .
H16 H 0.2262(6) -0.2429(6) 0.8414(5) 0.033(2) Uiso 1.000000 R .
C17 C 0.3843(6) -0.1151(5) 0.8475(5) 0.0262(17) Uani 1.000000 . .
C18 C 0.1598(6) -0.3797(5) 0.5394(5) 0.0246(15) Uani 1.000000 . U
O21 O 0.5573(5) 0.2475(4) 0.9137(4) 0.0371(13) Uani 1.000000 . .
O22 O 0.7098(5) 0.3293(5) 0.9756(5) 0.0551(18) Uani 1.000000 . .
C21 C 0.5522(7) 0.4159(6) 0.9767(6) 0.0347(19) Uani 1.000000 . .
C22 C 0.6091(8) 0.4918(7) 1.0379(7) 0.046(2) Uani 1.000000 . .
H22 H 0.6816(8) 0.4857(7) 1.0633(7) 0.055(3) Uiso 1.000000 R .
C23 C 0.4442(7) 0.4249(7) 0.9407(7) 0.045(2) Uani 1.000000 . .
H23 H 0.4072(7) 0.3737(7) 0.9012(7) 0.054(3) Uiso 1.000000 R .
C24 C 0.6068(7) 0.3214(6) 0.9518(6) 0.0350(19) Uani 1.000000 . .
O31 O 0.6415(4) -0.0134(4) 0.7607(4) 0.0294(12) Uani 1.000000 . .
O32 O 0.5272(4) 0.1113(4) 0.7444(4) 0.0313(12) Uani 1.000000 . .
C31 C 0.5351(6) 0.0203(6) 0.5996(5) 0.0247(16) Uani 1.000000 . .
C32 C 0.5795(7) -0.0557(6) 0.5583(6) 0.038(2) Uani 1.000000 . .
H32 H 0.6334(7) -0.0944(6) 0.5971(6) 0.045(3) Uiso 1.000000 R .
C33 C 0.4549(7) 0.0766(7) 0.5421(6) 0.038(2) Uani 1.000000 . .
H33 H 0.4235(7) 0.1286(7) 0.5698(6) 0.046(2) Uiso 1.000000 R .
C34 C 0.5704(6) 0.0417(6) 0.7081(5) 0.0240(16) Uani 1.000000 . .
N1 N 0.9367(10) 0.0782(12) 0.7383(9) 0.094(4) Uani 1.000000 . .
N2 N 0.9576(10) -0.0620(9) 0.8211(11) 0.098(4) Uani 1.000000 . U
C1 C 0.8899(10) -0.0003(12) 0.7676(11) 0.078(4) Uani 1.000000 . .
H1 H 0.8171(10) -0.0103(12) 0.7519(11) 0.094(5) Uiso 1.000000 R .
C2 C 1.0433(13) 0.0623(15) 0.7751(12) 0.099(5) Uani 1.000000 . .
H2 H 1.0976(13) 0.1043(15) 0.7664(12) 0.119(6) Uiso 1.000000 R .
C3 C 1.0539(11) -0.0225(13) 0.8242(13) 0.094(5) Uani 1.000000 . .
H3 H 1.1179(11) -0.0515(13) 0.8566(13) 0.113(6) Uiso 1.000000 R .
C4 C 0.873(2) 0.177(2) 0.6784(13) 0.216(13) Uani 1.000000 . .
H4a H 0.923(2) 0.225(2) 0.6647(13) 0.32(2) Uiso 1.000000 R .
H4b H 0.827(2) 0.154(2) 0.6179(13) 0.32(2) Uiso 1.000000 R .
H4c H 0.832(2) 0.209(2) 0.7179(13) 0.32(2) Uiso 1.000000 R .
C5 C 0.939(2) -0.1541(16) 0.893(3) 0.242(11) Uani 1.000000 D U
H5a H 1.001(2) -0.1722(16) 0.944(3) 0.290(13) Uiso 1.000000 R .
H5b H 0.878(2) -0.1439(16) 0.921(3) 0.290(13) Uiso 1.000000 R .
C6 C 0.918(5) -0.220(4) 0.809(3) 0.43(3) Uani 1.000000 D U
H6a H 0.903(5) -0.287(4) 0.827(3) 0.64(4) Uiso 1.000000 R .
H6b H 0.859(5) -0.194(4) 0.760(3) 0.64(4) Uiso 1.000000 R .
H6c H 0.979(5) -0.222(4) 0.782(3) 0.64(4) Uiso 1.000000 R .


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 Cl1 2.9452(16) . ?
Eu1 O11 2.387(5) . ?
Eu1 O12 2.373(5) 3_657 ?
Eu1 O13 2.438(5) 4_656 ?
Eu1 O14 2.367(5) 2_556 ?
Eu1 O14 2.645(5) 4_656 ?
Eu1 C18 2.902(7) 4_656 ?
Eu1 O21 2.597(5) . ?
Eu1 O31 2.530(5) . ?
Eu1 O32 2.424(5) . ?
Eu1 C34 2.815(7) . ?
O11 C17 1.247(9) . ?
O12 C17 1.268(9) . ?
O13 C18 1.261(9) . ?
O14 C18 1.278(9) . ?
C11 C12 1.390(10) . ?
C11 C16 1.386(10) . ?
C11 C17 1.513(9) . ?
C12 C13 1.372(10) . ?
C13 C14 1.389(10) . ?
C14 C15 1.384(10) . ?
C14 C18 1.478(10) . ?
C15 C16 1.390(10) . ?
O21 C24 1.216(9) . ?
O22 C24 1.309(10) . ?
C21 C22 1.407(12) . ?
C21 C23 1.382(12) . ?
C21 C24 1.515(12) . ?
C22 C23 1.370(12) 3_667 ?
O31 C34 1.264(9) . ?
O32 C34 1.246(9) . ?
C31 C32 1.353(11) . ?
C31 C33 1.374(11) . ?
C31 C34 1.508(10) . ?
C32 C33 1.400(11) 3_656 ?
N1 C1 1.316(18) . ?
N1 C2 1.377(18) . ?
N1 C4 1.66(2) . ?
N2 C1 1.296(18) . ?
N2 C3 1.350(17) . ?
N2 C5 1.64(3) . ?
C2 C3 1.30(2) . ?
C5 C6 1.446(19) . ?

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
O11 Eu1 Cl1 144.98(13) . . ?
O12 Eu1 Cl1 75.12(13) 3_657 . ?
O12 Eu1 O11 134.31(18) 3_657 . ?
O13 Eu1 Cl1 78.66(14) 4_656 . ?
O13 Eu1 O11 85.7(2) 4_656 . ?
O13 Eu1 O12 83.81(19) 4_656 3_657 ?
O14 Eu1 Cl1 118.91(11) 4_656 . ?
O14 Eu1 Cl1 142.23(13) 2_556 . ?
O14 Eu1 O11 72.03(18) 2_556 . ?
O14 Eu1 O11 70.93(17) 4_656 . ?
O14 Eu1 O12 67.91(17) 4_656 3_657 ?
O14 Eu1 O12 77.01(18) 2_556 3_657 ?
O14 Eu1 O13 122.91(17) 2_556 4_656 ?
O14 Eu1 O13 51.21(16) 4_656 4_656 ?
C18 Eu1 Cl1 96.88(15) 4_656 . ?
C18 Eu1 O11 80.4(2) 4_656 . ?
C18 Eu1 O12 71.42(19) 4_656 3_657 ?
C18 Eu1 O13 25.48(18) 4_656 4_656 ?
C18 Eu1 O14 97.84(19) 4_656 2_556 ?
C18 Eu1 O14 26.13(18) 4_656 4_656 ?
O21 Eu1 Cl1 77.41(13) . . ?
O21 Eu1 O11 124.81(19) . . ?
O21 Eu1 O12 71.44(18) . 3_657 ?
O21 Eu1 O13 149.15(19) . 4_656 ?
O21 Eu1 O14 69.85(18) . 2_556 ?
O21 Eu1 O14 128.81(17) . 4_656 ?
O21 Eu1 C18 142.63(19) . 4_656 ?
O31 Eu1 Cl1 74.99(12) . . ?
O31 Eu1 O11 70.95(18) . . ?
O31 Eu1 O12 146.78(17) . 3_657 ?
O31 Eu1 O13 76.43(17) . 4_656 ?
O31 Eu1 O14 136.21(17) . 2_556 ?
O31 Eu1 O14 115.88(16) . 4_656 ?
O31 Eu1 C18 98.23(19) . 4_656 ?
O31 Eu1 O21 115.22(18) . . ?
O32 Eu1 Cl1 91.38(14) . . ?
O32 Eu1 O11 74.29(19) . . ?
O32 Eu1 O12 142.24(19) . 3_657 ?
O32 Eu1 O13 128.62(17) . 4_656 ?
O32 Eu1 O14 145.13(18) . 4_656 ?
O32 Eu1 O14 95.35(17) . 2_556 ?
O32 Eu1 C18 146.13(19) . 4_656 ?
O32 Eu1 O21 71.24(18) . . ?
O32 Eu1 O31 52.44(17) . . ?
C34 Eu1 Cl1 85.83(15) . . ?
C34 Eu1 O11 67.1(2) . . ?
C34 Eu1 O12 158.47(19) . 3_657 ?
C34 Eu1 O13 102.44(19) . 4_656 ?
C34 Eu1 O14 131.84(18) . 4_656 ?
C34 Eu1 O14 114.71(19) . 2_556 ?
C34 Eu1 C18 121.7(2) . 4_656 ?
C34 Eu1 O21 94.95(19) . . ?
C34 Eu1 O31 26.68(18) . . ?
C34 Eu1 O32 26.18(19) . . ?
C17 O11 Eu1 139.2(5) . . ?
C17 O12 Eu1 137.3(5) . 3_657 ?
C18 O13 Eu1 98.3(4) . 4 ?
C18 O14 Eu1 163.0(5) . 2_546 ?
C18 O14 Eu1 88.2(4) . 4 ?
C16 C11 C12 119.6(6) . . ?
C17 C11 C12 120.8(6) . . ?
C17 C11 C16 119.6(6) . . ?
C13 C12 C11 119.8(7) . . ?
C14 C13 C12 121.1(7) . . ?
C15 C14 C13 119.1(6) . . ?
C18 C14 C13 120.7(6) . . ?
C18 C14 C15 120.1(6) . . ?
C16 C15 C14 120.1(7) . . ?
C15 C16 C11 120.2(6) . . ?
O12 C17 O11 127.0(7) . . ?
C11 C17 O11 117.1(6) . . ?
C11 C17 O12 115.9(6) . . ?
O13 C18 Eu1 56.3(4) . 4 ?
O14 C18 Eu1 65.7(4) . 4 ?
O14 C18 O13 120.5(6) . . ?
C14 C18 Eu1 167.2(5) . 4 ?
C14 C18 O13 120.6(6) . . ?
C14 C18 O14 118.9(6) . . ?
C24 O21 Eu1 136.0(6) . . ?
C23 C21 C22 120.2(8) . . ?
C24 C21 C22 121.0(8) . . ?
C24 C21 C23 118.8(7) . . ?
C23 C22 C21 118.7(8) 3_667 . ?
C22 C23 C21 121.1(8) 3_667 . ?
O22 C24 O21 125.4(8) . . ?
C21 C24 O21 121.9(8) . . ?
C21 C24 O22 112.8(7) . . ?
C34 O31 Eu1 89.4(4) . . ?
C34 O32 Eu1 94.7(4) . . ?
C33 C31 C32 119.3(7) . . ?
C34 C31 C32 121.0(7) . . ?
C34 C31 C33 119.7(7) . . ?
C33 C32 C31 120.8(8) 3_656 . ?
C32 C33 C31 119.9(7) 3_656 . ?
O31 C34 Eu1 64.0(4) . . ?
O32 C34 Eu1 59.1(4) . . ?
O32 C34 O31 121.5(7) . . ?
C31 C34 Eu1 165.5(5) . . ?
C31 C34 O31 118.9(6) . . ?
C31 C34 O32 119.5(7) . . ?
C2 N1 C1 105.5(15) . . ?
C4 N1 C1 124.1(16) . . ?
C4 N1 C2 130.2(18) . . ?
C3 N2 C1 106.1(14) . . ?
C5 N2 C1 129.6(16) . . ?
C5 N2 C3 122.9(17) . . ?
N2 C1 N1 111.7(13) . . ?
C3 C2 N1 107.2(16) . . ?
C2 C3 N2 109.5(15) . . ?
C6 C5 N2 88(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_restr_distance_atom_site_label_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
_restr_distance_diff
C5 C6 1 1.5000 0.0200 0.0537

loop_
_restr_U_iso_atom_site_label
_restr_U_iso_weight_param
C6 0.0040

loop_
_restr_U_rigid_atom_site_label_1
_restr_U_rigid_atom_site_label_2
_restr_U_rigid_target_weight_param
_restr_U_rigid_U_parallel
_restr_U_rigid_diff
O14 C18 0.0040 0.0228 -0.0069
N2 C5 0.0100 0.1440 0.0012
C5 C6 0.0040 0.4242 -0.0015

####################################################################### 
# 
# 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_Comp-5
_database_code_depnum_ccdc_archive 'CCDC 1455820'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_audit_creation_date             2016-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C9 H5 Eu O6'
_chemical_formula_sum            'C9 H5 Eu O6'
_chemical_formula_weight         361.10
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
Eu -0.00847 3.77655 24.62740 19.08860 13.76030 2.92270 2.38790 0.19420 13.75460
123.17400 2.57450008392
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   10.6681(5)
_cell_length_b                   12.9245(5)
_cell_length_c                   6.8298(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.245(5)
_cell_angle_gamma                90
_cell_volume                     937.75(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3978
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.7520
_cell_measurement_theta_min      3.6840
_exptl_absorpt_coefficient_mu    6.698
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.5575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             680.3910
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_special_details           
;
 ?                                                               
;
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            10564
_diffrn_reflns_theta_full        25.0240
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.69
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.9903
_diffrn_measured_fraction_theta_max 0.9903
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              8
_reflns_limit_l_min              0
_reflns_number_gt                1471
_reflns_number_total             1634
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Siemens SHELXTLTM 5'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_refine_diff_density_max         4.3302
_refine_diff_density_min         -2.2645
_refine_diff_density_rms         0.3360
_refine_ls_d_res_high            0.8401
_refine_ls_d_res_low             5.5210
_refine_ls_goodness_of_fit_ref   1.0283
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    10
_refine_ls_number_parameters     144
_refine_ls_number_reflns         1634
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0483
_refine_ls_restrained_S_all      1.0283
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0480P)²+36.7759P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1227
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16)
;
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_refinement_flags_posn
Eu1 Eu 0.42563(5) 0.37078(4) 0.59640(9) 0.0163(2) Uani 1.000000 .
C11 C 1.1031(10) 0.3592(8) 0.8895(17) 0.018(2) Uani 1.000000 .
C12 C 1.0793(11) 0.4518(9) 0.7881(18) 0.024(2) Uani 1.000000 .
H12 H 1.1459(11) 0.4936(9) 0.7582(18) 0.028(3) Uiso 1.000000 R
C13 C 0.9564(10) 0.4814(9) 0.7317(18) 0.022(2) Uani 1.000000 .
H13 H 0.9403(10) 0.5443(9) 0.6681(18) 0.026(3) Uiso 1.000000 R
C14 C 0.8582(10) 0.4176(9) 0.7703(18) 0.022(2) Uani 1.000000 .
C15 C 0.8822(11) 0.3252(9) 0.8698(19) 0.025(3) Uani 1.000000 .
H15 H 0.8157(11) 0.2829(9) 0.8985(19) 0.029(3) Uiso 1.000000 R
C16 C 1.0052(10) 0.2958(9) 0.9267(18) 0.023(2) Uani 1.000000 .
H16 H 1.0212(10) 0.2328(9) 0.9901(18) 0.027(3) Uiso 1.000000 R
C17 C 1.2366(10) 0.3251(9) 0.9353(17) 0.020(2) Uani 1.000000 .
C18 C 0.7258(11) 0.4494(9) 0.698(2) 0.028(3) Uani 1.000000 .
O11 O 1.3243(7) 0.3816(6) 0.8762(12) 0.0205(17) Uani 1.000000 .
O12 O 1.2567(7) 0.2434(6) 1.0289(13) 0.0272(19) Uani 1.000000 .
O13 O 0.7130(7) 0.5361(6) 0.6198(14) 0.030(2) Uani 1.000000 .
O14 O 0.6368(7) 0.3867(7) 0.7247(15) 0.035(2) Uani 1.000000 .
C1 C 0.5429(11) 0.3699(9) 0.2202(19) 0.025(3) Uani 1.000000 .
H1 H 0.4658(11) 0.3947(9) 0.1461(19) 0.030(3) Uiso 1.000000 R
O1 O 0.4899(8) 0.2901(6) 0.2762(15) 0.032(2) Uani 1.000000 .
O2 O 0.5517(8) 0.4491(6) 0.3261(14) 0.031(2) Uani 1.000000 .


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 O11 2.284(8) 1_455 ?
Eu1 O12 2.342(7) 4_465 ?
Eu1 O13 2.327(8) 3_666 ?
Eu1 O14 2.350(8) . ?
Eu1 C1 2.959(13) . ?
Eu1 O1 2.479(8) 4_566 ?
Eu1 O1 2.572(9) . ?
Eu1 O2 2.588(9) . ?
Eu1 O2 2.394(8) 3_666 ?
C11 C12 1.394(16) . ?
C11 C16 1.370(16) . ?
C11 C17 1.496(15) . ?
C12 C13 1.387(15) . ?
C13 C14 1.377(16) . ?
C14 C15 1.387(17) . ?
C14 C18 1.509(15) . ?
C15 C16 1.387(16) . ?
C17 O11 1.281(14) . ?
C17 O12 1.242(14) . ?
C18 O13 1.246(15) . ?
C18 O14 1.273(14) . ?
C1 O1 1.252(14) . ?
C1 O2 1.252(14) . ?

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
O12 Eu1 O11 77.8(3) 4_465 1_455 ?
O13 Eu1 O11 100.2(3) 3_666 1_455 ?
O13 Eu1 O12 76.6(3) 3_666 4_465 ?
O14 Eu1 O11 101.1(3) . 1_455 ?
O14 Eu1 O12 145.3(3) . 4_465 ?
O14 Eu1 O13 136.3(3) . 3_666 ?
C1 Eu1 O11 175.4(3) . 1_455 ?
C1 Eu1 O12 101.9(3) . 4_465 ?
C1 Eu1 O13 75.3(3) . 3_666 ?
C1 Eu1 O14 81.8(3) . . ?
O1 Eu1 O11 76.6(3) 4_566 1_455 ?
O1 Eu1 O11 156.9(3) . 1_455 ?
O1 Eu1 O12 75.0(3) 4_566 4_465 ?
O1 Eu1 O12 80.6(3) . 4_465 ?
O1 Eu1 O13 82.7(3) . 3_666 ?
O1 Eu1 O13 151.5(3) 4_566 3_666 ?
O1 Eu1 O14 71.1(3) 4_566 . ?
O1 Eu1 O14 91.8(3) . . ?
O1 Eu1 C1 107.9(3) 4_566 . ?
O1 Eu1 C1 24.9(3) . . ?
O2 Eu1 O11 152.8(3) . 1_455 ?
O2 Eu1 O11 78.5(3) 3_666 1_455 ?
O2 Eu1 O12 123.1(3) . 4_465 ?
O2 Eu1 O12 135.8(3) 3_666 4_465 ?
O2 Eu1 O13 71.7(3) . 3_666 ?
O2 Eu1 O13 71.5(3) 3_666 3_666 ?
O2 Eu1 O14 76.0(3) 3_666 . ?
O2 Eu1 O14 71.9(3) . . ?
O2 Eu1 C1 98.8(3) 3_666 . ?
O2 Eu1 C1 25.0(3) . . ?
O2 Eu1 O1 123.6(3) 3_666 . ?
O2 Eu1 O1 122.9(3) . 4_566 ?
O2 Eu1 O1 133.5(3) 3_666 4_566 ?
O2 Eu1 O1 49.9(3) . . ?
C16 C11 C12 119.9(10) . . ?
C17 C11 C12 118.9(10) . . ?
C17 C11 C16 120.8(10) . . ?
C13 C12 C11 120.0(11) . . ?
C14 C13 C12 119.9(11) . . ?
C15 C14 C13 120.0(10) . . ?
C18 C14 C13 118.8(10) . . ?
C18 C14 C15 121.2(10) . . ?
C16 C15 C14 120.0(11) . . ?
C15 C16 C11 120.1(11) . . ?
O11 C17 C11 118.3(10) . . ?
O12 C17 C11 118.4(10) . . ?
O12 C17 O11 123.3(10) . . ?
O13 C18 C14 116.5(10) . . ?
O14 C18 C14 118.0(11) . . ?
O14 C18 O13 125.5(11) . . ?
C17 O11 Eu1 130.1(7) . 1_655 ?
C17 O12 Eu1 136.9(7) . 4_666 ?
C18 O13 Eu1 141.0(8) . 3_666 ?
C18 O14 Eu1 134.8(8) . . ?
O1 C1 Eu1 60.0(7) . . ?
O2 C1 Eu1 60.7(7) . . ?
O2 C1 O1 120.6(12) . . ?
C1 O1 Eu1 95.1(7) . . ?
C1 O1 Eu1 130.7(8) . 4_565 ?
C1 O2 Eu1 157.5(8) . 3_666 ?
C1 O2 Eu1 94.3(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_comp-2
_database_code_depnum_ccdc_archive 'CCDC 1455821'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_audit_creation_date             2016-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C24 H12 Cl Eu2 O12, C7 H13 N2'
_chemical_formula_sum            'C31 H25 Cl Eu2 N2 O12'
_chemical_formula_weight         956.90
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   12.0317(3)
_cell_length_b                   19.5150(5)
_cell_length_c                   17.2834(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.332(2)
_cell_angle_gamma                90.00
_cell_volume                     3428.96(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14120
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2560
_cell_measurement_theta_min      3.4930
_exptl_absorpt_coefficient_mu    3.765
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60861
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platlet
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32194
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.43
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating-anode generator'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5316
_reflns_number_total             6037
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Siemens SHELXTLTM 5'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_refine_diff_density_max         1.546
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         6037
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0253
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0238P)²+14.6588P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0644
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C5-C6
 1.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
Uanis(C5) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
Uanis(C6) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
Uanis(C7) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
4.a Riding coordinates:
 C12(H12A), C13(H13A), C15(H15A), C16(H16A), C22(H22A), C23(H23A), C25(H25A),
 C26(H26A), C32(H32A), C33(H33A), C42(H42A), C43(H43A)
4.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B)
4.c Me refined with riding coordinates:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C)
4.d Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2A), C3(H3A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu -0.264560(19) -0.269856(10) 0.556537(13) 0.01402(7) Uani 1 1 d . . .
Eu2 Eu -0.314462(19) -0.232526(10) 0.765883(13) 0.01335(7) Uani 1 1 d . . .
Cl1 Cl -0.23555(11) -0.19151(5) 0.42863(6) 0.0224(2) Uani 1 1 d . . .
O11 O -0.5541(3) -0.68823(17) 0.5745(2) 0.0301(8) Uani 1 1 d . . .
O12 O -0.5429(3) -0.67292(17) 0.7051(2) 0.0320(8) Uani 1 1 d . . .
O13 O -0.2879(4) -0.34870(15) 0.7439(2) 0.0315(8) Uani 1 1 d . . .
O14 O -0.2512(3) -0.37153(15) 0.6338(2) 0.0291(7) Uani 1 1 d . . .
O21 O -1.0375(3) -0.2490(2) 0.1699(2) 0.0362(8) Uani 1 1 d . . .
O22 O -1.1376(3) -0.26419(16) 0.2434(2) 0.0280(7) Uani 1 1 d . . .
O23 O -0.5421(3) -0.2732(2) 0.6570(2) 0.0349(9) Uani 1 1 d . . .
O24 O -0.4321(3) -0.26067(16) 0.5903(2) 0.0251(7) Uani 1 1 d . . .
O31 O -0.1644(4) -0.34742(18) 0.5103(2) 0.0417(10) Uani 1 1 d . . .
O32 O -0.1757(3) -0.34556(17) 0.3783(2) 0.0327(8) Uani 1 1 d . . .
O41 O -0.3575(3) -0.13175(16) 0.6757(2) 0.0299(8) Uani 1 1 d . . .
O42 O -0.3001(3) -0.15433(16) 0.5753(2) 0.0308(8) Uani 1 1 d . . .
C11 C -0.4639(5) -0.5848(2) 0.6540(3) 0.0239(10) Uani 1 1 d . . .
C12 C -0.4658(6) -0.5366(3) 0.7122(4) 0.0391(13) Uani 1 1 d . . .
H12A H -0.5051 -0.5471 0.7446 0.043(15) Uiso 1 1 d R . .
C13 C -0.4098(6) -0.4729(3) 0.7217(4) 0.0390(13) Uani 1 1 d . . .
H13A H -0.4110 -0.4407 0.7610 0.07(2) Uiso 1 1 d R . .
C14 C -0.3514(5) -0.4566(2) 0.6735(3) 0.0235(10) Uani 1 1 d . . .
C15 C -0.3507(5) -0.5044(2) 0.6153(3) 0.0305(11) Uani 1 1 d . . .
H15A H -0.3121 -0.4936 0.5824 0.028(13) Uiso 1 1 d R . .
C16 C -0.4066(5) -0.5683(2) 0.6050(3) 0.0318(11) Uani 1 1 d . . .
H16A H -0.4057 -0.6002 0.5654 0.041(15) Uiso 1 1 d R . .
C17 C -0.5259(4) -0.6534(2) 0.6438(3) 0.0201(9) Uani 1 1 d . . .
C18 C -0.2924(5) -0.3870(2) 0.6842(3) 0.0242(10) Uani 1 1 d . . .
C21 C -0.9047(4) -0.2673(2) 0.3299(3) 0.0248(10) Uani 1 1 d . . .
C22 C -0.8932(5) -0.3017(3) 0.4035(3) 0.0354(12) Uani 1 1 d . . .
H22A H -0.9663 -0.3231 0.3978 0.031(14) Uiso 1 1 d R . .
C23 C -0.7736(5) -0.3045(3) 0.4856(3) 0.0369(12) Uani 1 1 d . . .
H23A H -0.7665 -0.3278 0.5350 0.042(16) Uiso 1 1 d R . .
C24 C -0.6646(4) -0.2726(2) 0.4946(3) 0.0234(10) Uani 1 1 d . . .
C25 C -0.6750(4) -0.2400(3) 0.4204(3) 0.0282(11) Uani 1 1 d . . .
H25A H -0.6013 -0.2196 0.4258 0.046(17) Uiso 1 1 d R . .
C26 C -0.7941(4) -0.2373(3) 0.3385(3) 0.0291(11) Uani 1 1 d . . .
H26A H -0.8004 -0.2154 0.2885 0.040(15) Uiso 1 1 d R . .
C27 C -1.0345(4) -0.2599(2) 0.2421(3) 0.0237(10) Uani 1 1 d . . .
C28 C -0.5391(4) -0.2698(2) 0.5864(3) 0.0208(9) Uani 1 1 d . . .
C31 C -0.0685(5) -0.4384(2) 0.4773(3) 0.0269(10) Uani 1 1 d . . .
C32 C -0.0502(6) -0.4714(3) 0.4152(4) 0.0428(15) Uani 1 1 d . . .
H32A H -0.0840 -0.4524 0.3574 0.057(18) Uiso 1 1 d R . .
C33 C -0.0177(6) -0.4673(3) 0.5630(4) 0.0435(15) Uani 1 1 d . . .
H33A H -0.0292 -0.4454 0.6061 0.07(2) Uiso 1 1 d R . .
C34 C -0.1423(4) -0.3721(2) 0.4535(3) 0.0235(10) Uani 1 1 d . . .
C41 C -0.4284(4) -0.0564(2) 0.5513(3) 0.0214(9) Uani 1 1 d . . .
C42 C -0.4708(5) -0.0524(2) 0.4600(3) 0.0262(10) Uani 1 1 d . . .
H42A H -0.4507 -0.0874 0.4330 0.052(17) Uiso 1 1 d R . .
C43 C -0.4564(5) -0.0037(2) 0.5919(3) 0.0270(10) Uani 1 1 d . . .
H43A H -0.4267 -0.0059 0.6538 0.039(15) Uiso 1 1 d R . .
C44 C -0.3542(5) -0.1190(2) 0.6061(3) 0.0236(10) Uani 1 1 d . . .
N1 N -0.8156(7) -0.1518(3) 0.5659(5) 0.0657(16) Uani 1 1 d . . .
N2 N -0.8818(5) -0.0997(3) 0.4406(4) 0.0600(15) Uani 1 1 d . . .
C1 C -0.9177(7) -0.1380(4) 0.4860(7) 0.076(2) Uani 1 1 d . . .
H1A H -1.0030 -0.1529 0.4642 0.091 Uiso 1 1 calc R . .
C2 C -0.7513(6) -0.0892(4) 0.4966(5) 0.0591(18) Uani 1 1 d . . .
H2A H -0.6989 -0.0635 0.4828 0.071 Uiso 1 1 calc R . .
C3 C -0.7108(7) -0.1214(4) 0.5739(5) 0.0577(17) Uani 1 1 d . . .
H3A H -0.6252 -0.1227 0.6247 0.069 Uiso 1 1 calc R . .
C4 C -0.8111(11) -0.1938(6) 0.6395(7) 0.108(3) Uani 1 1 d U . .
H4A H -0.8975 -0.2107 0.6188 0.162 Uiso 1 1 calc R . .
H4B H -0.7805 -0.1660 0.6931 0.162 Uiso 1 1 calc R . .
H4C H -0.7522 -0.2317 0.6541 0.162 Uiso 1 1 calc R . .
C5 C -0.9863(17) 0.0401(9) 0.3793(11) 0.186(7) Uani 1 1 d DU . .
H5A H -0.9794 0.0865 0.3638 0.279 Uiso 1 1 calc R . .
H5B H -0.9225 0.0323 0.4430 0.279 Uiso 1 1 calc R . .
H5C H -1.0730 0.0323 0.3671 0.279 Uiso 1 1 calc R . .
C6 C -0.9631(14) -0.0042(8) 0.3273(10) 0.159(5) Uani 1 1 d DU . .
H6A H -0.8774 0.0062 0.3375 0.191 Uiso 1 1 calc R . .
H6B H -1.0280 0.0044 0.2632 0.191 Uiso 1 1 calc R . .
C7 C -0.9667(11) -0.0764(6) 0.3454(7) 0.110(3) Uani 1 1 d U . .
H7A H -0.9434 -0.1022 0.3081 0.132 Uiso 1 1 calc R . .
H7B H -1.0567 -0.0882 0.3248 0.132 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 Eu2 4.0381(3) . ?
Eu1 Cl1 2.8587(9) . ?
Eu1 O11 2.296(3) 3_446 ?
Eu1 O14 2.348(3) . ?
Eu1 O21 2.390(3) 4_656 ?
Eu1 O22 2.816(3) 4_656 ?
Eu1 O24 2.386(3) . ?
Eu1 O31 2.326(3) . ?
Eu1 O42 2.349(3) . ?
Eu1 C27 2.965(4) 4_656 ?
Eu2 Cl1 2.8556(9) 4_556 ?
Eu2 O12 2.339(3) 2_456 ?
Eu2 O13 2.349(3) . ?
Eu2 O22 2.359(3) 4_656 ?
Eu2 O23 2.482(3) . ?
Eu2 O24 2.631(3) . ?
Eu2 O32 2.327(3) 4_556 ?
Eu2 O41 2.387(3) . ?
Eu2 C28 2.914(4) . ?
Cl1 Eu2 2.8556(9) 4 ?
O11 Eu1 2.296(3) 3_446 ?
O11 C17 1.256(5) . ?
O12 Eu2 2.339(3) 2_446 ?
O12 C17 1.241(5) . ?
O13 C18 1.252(5) . ?
O14 C18 1.248(5) . ?
O21 Eu1 2.390(3) 4_455 ?
O21 C27 1.247(6) . ?
O22 Eu1 2.816(3) 4_455 ?
O22 Eu2 2.359(3) 4_455 ?
O22 C27 1.256(5) . ?
O23 C28 1.242(5) . ?
O24 C28 1.265(5) . ?
O31 C34 1.244(5) . ?
O32 Eu2 2.327(3) 4 ?
O32 C34 1.248(5) . ?
O41 C44 1.251(5) . ?
O42 C44 1.245(5) . ?
C11 C12 1.387(7) . ?
C11 C16 1.385(6) . ?
C11 C17 1.495(6) . ?
C12 H12A 0.9299 . ?
C12 C13 1.381(7) . ?
C13 H13A 0.9307 . ?
C13 C14 1.383(6) . ?
C14 C15 1.376(6) . ?
C14 C18 1.499(6) . ?
C15 H15A 0.9301 . ?
C15 C16 1.383(6) . ?
C16 H16A 0.9295 . ?
C21 C22 1.377(7) . ?
C21 C26 1.387(6) . ?
C21 C27 1.493(6) . ?
C22 H22A 0.9299 . ?
C22 C23 1.380(7) . ?
C23 H23A 0.9299 . ?
C23 C24 1.382(7) . ?
C24 C25 1.376(7) . ?
C24 C28 1.496(6) . ?
C25 H25A 0.9299 . ?
C25 C26 1.375(6) . ?
C26 H26A 0.9299 . ?
C27 Eu1 2.965(4) 4_455 ?
C31 C32 1.367(7) . ?
C31 C33 1.384(7) . ?
C31 C34 1.498(6) . ?
C32 H32A 0.9303 . ?
C32 C33 1.383(7) 3_546 ?
C33 C32 1.383(7) 3_546 ?
C33 H33A 0.9296 . ?
C41 C42 1.377(6) . ?
C41 C43 1.384(6) . ?
C41 C44 1.511(6) . ?
C42 H42A 0.9295 . ?
C42 C43 1.389(6) 3_456 ?
C43 C42 1.389(6) 3_456 ?
C43 H43A 0.9302 . ?
N1 C1 1.294(10) . ?
N1 C3 1.332(9) . ?
N1 C4 1.490(10) . ?
N2 C1 1.314(10) . ?
N2 C2 1.348(8) . ?
N2 C7 1.470(10) . ?
C1 H1A 0.9300 . ?
C2 H2A 0.9300 . ?
C2 C3 1.312(9) . ?
C3 H3A 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 C6 1.378(13) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.449(16) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?

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
Cl1 Eu1 Eu2 137.27(2) . . ?
Cl1 Eu1 C27 107.58(9) . 4_656 ?
O11 Eu1 Eu2 115.45(8) 3_446 . ?
O11 Eu1 Cl1 82.68(8) 3_446 . ?
O11 Eu1 O14 89.98(12) 3_446 . ?
O11 Eu1 O21 158.41(12) 3_446 4_656 ?
O11 Eu1 O22 149.51(10) 3_446 4_656 ?
O11 Eu1 O24 77.67(11) 3_446 . ?
O11 Eu1 O31 79.80(14) 3_446 . ?
O11 Eu1 O42 109.33(12) 3_446 . ?
O11 Eu1 C27 169.00(12) 3_446 4_656 ?
O14 Eu1 Eu2 68.96(7) . . ?
O14 Eu1 Cl1 153.11(8) . . ?
O14 Eu1 O21 87.88(13) . 4_656 ?
O14 Eu1 O22 73.57(10) . 4_656 ?
O14 Eu1 O24 74.61(11) . . ?
O14 Eu1 O42 133.97(10) . . ?
O14 Eu1 C27 79.07(12) . 4_656 ?
O21 Eu1 Eu2 83.70(8) 4_656 . ?
O21 Eu1 Cl1 89.59(9) 4_656 . ?
O21 Eu1 O22 48.89(10) 4_656 4_656 ?
O21 Eu1 C27 24.00(12) 4_656 4_656 ?
O22 Eu1 Eu2 34.83(6) 4_656 . ?
O22 Eu1 Cl1 123.03(7) 4_656 . ?
O22 Eu1 C27 24.92(11) 4_656 4_656 ?
O24 Eu1 Eu2 38.51(7) . . ?
O24 Eu1 Cl1 128.12(8) . . ?
O24 Eu1 O21 122.20(11) . 4_656 ?
O24 Eu1 O22 73.32(9) . 4_656 ?
O24 Eu1 C27 98.22(11) . 4_656 ?
O31 Eu1 Eu2 141.05(8) . . ?
O31 Eu1 Cl1 77.45(9) . . ?
O31 Eu1 O14 75.80(11) . . ?
O31 Eu1 O21 78.85(14) . 4_656 ?
O31 Eu1 O22 118.98(11) . 4_656 ?
O31 Eu1 O24 142.49(13) . . ?
O31 Eu1 O42 146.94(12) . . ?
O31 Eu1 C27 98.26(14) . 4_656 ?
O42 Eu1 Eu2 65.01(7) . . ?
O42 Eu1 Cl1 72.56(8) . . ?
O42 Eu1 O21 87.25(13) . 4_656 ?
O42 Eu1 O22 69.04(10) . 4_656 ?
O42 Eu1 O24 69.75(11) . . ?
O42 Eu1 C27 78.23(12) . 4_656 ?
C27 Eu1 Eu2 59.71(9) 4_656 . ?
Cl1 Eu2 Eu1 131.18(2) 4_556 . ?
Cl1 Eu2 C28 123.35(9) 4_556 . ?
O12 Eu2 Eu1 139.44(8) 2_456 . ?
O12 Eu2 Cl1 86.70(8) 2_456 4_556 ?
O12 Eu2 O13 133.92(12) 2_456 . ?
O12 Eu2 O22 151.47(12) 2_456 4_656 ?
O12 Eu2 O23 71.51(12) 2_456 . ?
O12 Eu2 O24 110.34(11) 2_456 . ?
O12 Eu2 O41 78.61(11) 2_456 . ?
O12 Eu2 C28 89.05(12) 2_456 . ?
O13 Eu2 Eu1 65.33(7) . . ?
O13 Eu2 Cl1 69.88(8) . 4_556 ?
O13 Eu2 O22 74.60(11) . 4_656 ?
O13 Eu2 O23 76.06(13) . . ?
O13 Eu2 O24 69.36(11) . . ?
O13 Eu2 O41 133.65(10) . . ?
O13 Eu2 C28 73.49(12) . . ?
O22 Eu2 Eu1 42.97(8) 4_656 . ?
O22 Eu2 Cl1 107.09(8) 4_656 4_556 ?
O22 Eu2 O23 126.40(11) 4_656 . ?
O22 Eu2 O24 77.33(10) 4_656 . ?
O22 Eu2 O41 79.34(11) 4_656 . ?
O22 Eu2 C28 102.87(12) 4_656 . ?
O23 Eu2 Eu1 84.01(7) . . ?
O23 Eu2 Cl1 103.39(9) . 4_556 ?
O23 Eu2 O24 50.50(10) . . ?
O23 Eu2 C28 25.02(11) . . ?
O24 Eu2 Eu1 34.38(7) . . ?
O24 Eu2 Cl1 135.91(7) . 4_556 ?
O24 Eu2 C28 25.73(11) . . ?
O32 Eu2 Eu1 118.84(8) 4_556 . ?
O32 Eu2 Cl1 78.77(9) 4_556 4_556 ?
O32 Eu2 O12 77.07(13) 4_556 2_456 ?
O32 Eu2 O13 131.94(13) 4_556 . ?
O32 Eu2 O22 81.24(12) 4_556 4_656 ?
O32 Eu2 O23 148.26(12) 4_556 . ?
O32 Eu2 O24 143.43(11) 4_556 . ?
O32 Eu2 O41 79.28(12) 4_556 . ?
O32 Eu2 C28 153.54(12) 4_556 . ?
O41 Eu2 Eu1 69.40(7) . . ?
O41 Eu2 Cl1 155.82(8) . 4_556 ?
O41 Eu2 O23 90.13(12) . . ?
O41 Eu2 O24 67.91(11) . . ?
O41 Eu2 C28 75.92(12) . . ?
C28 Eu2 Eu1 59.91(9) . . ?
Eu2 Cl1 Eu1 111.73(3) 4 . ?
C17 O11 Eu1 139.8(3) . 3_446 ?
C17 O12 Eu2 144.2(3) . 2_446 ?
C18 O13 Eu2 139.5(3) . . ?
C18 O14 Eu1 132.0(3) . . ?
C27 O21 Eu1 104.8(3) . 4_455 ?
Eu2 O22 Eu1 102.20(11) 4_455 4_455 ?
C27 O22 Eu1 84.2(3) . 4_455 ?
C27 O22 Eu2 172.6(3) . 4_455 ?
C28 O23 Eu2 97.3(3) . . ?
Eu1 O24 Eu2 107.10(11) . . ?
C28 O24 Eu1 160.9(3) . . ?
C28 O24 Eu2 89.7(2) . . ?
C34 O31 Eu1 153.1(3) . . ?
C34 O32 Eu2 145.9(3) . 4 ?
C44 O41 Eu2 133.2(3) . . ?
C44 O42 Eu1 140.0(3) . . ?
C12 C11 C17 119.5(4) . . ?
C16 C11 C12 119.4(4) . . ?
C16 C11 C17 121.0(4) . . ?
C11 C12 H12A 119.9 . . ?
C13 C12 C11 120.1(4) . . ?
C13 C12 H12A 120.0 . . ?
C12 C13 H13A 119.8 . . ?
C12 C13 C14 120.4(4) . . ?
C14 C13 H13A 119.8 . . ?
C13 C14 C18 119.6(4) . . ?
C15 C14 C13 119.3(4) . . ?
C15 C14 C18 121.1(4) . . ?
C14 C15 H15A 119.6 . . ?
C14 C15 C16 120.8(4) . . ?
C16 C15 H15A 119.6 . . ?
C11 C16 H16A 120.1 . . ?
C15 C16 C11 119.9(4) . . ?
C15 C16 H16A 120.0 . . ?
O11 C17 C11 117.4(4) . . ?
O12 C17 O11 124.3(4) . . ?
O12 C17 C11 118.3(4) . . ?
O13 C18 C14 116.8(4) . . ?
O14 C18 O13 125.0(4) . . ?
O14 C18 C14 118.2(4) . . ?
C22 C21 C26 119.3(4) . . ?
C22 C21 C27 121.3(4) . . ?
C26 C21 C27 119.4(4) . . ?
C21 C22 H22A 120.0 . . ?
C21 C22 C23 120.2(5) . . ?
C23 C22 H22A 119.8 . . ?
C22 C23 H23A 119.8 . . ?
C22 C23 C24 120.2(5) . . ?
C24 C23 H23A 120.0 . . ?
C23 C24 C28 119.7(4) . . ?
C25 C24 C23 119.7(4) . . ?
C25 C24 C28 120.5(4) . . ?
C24 C25 H25A 119.9 . . ?
C26 C25 C24 120.1(4) . . ?
C26 C25 H25A 119.9 . . ?
C21 C26 H26A 119.8 . . ?
C25 C26 C21 120.4(5) . . ?
C25 C26 H26A 119.8 . . ?
O21 C27 Eu1 51.2(2) . 4_455 ?
O21 C27 O22 122.0(4) . . ?
O21 C27 C21 119.2(4) . . ?
O22 C27 Eu1 70.9(2) . 4_455 ?
O22 C27 C21 118.8(4) . . ?
C21 C27 Eu1 169.3(3) . 4_455 ?
O23 C28 Eu2 57.7(2) . . ?
O23 C28 O24 121.3(4) . . ?
O23 C28 C24 119.8(4) . . ?
O24 C28 Eu2 64.6(2) . . ?
O24 C28 C24 118.9(4) . . ?
C24 C28 Eu2 166.9(3) . . ?
C32 C31 C33 119.0(4) . . ?
C32 C31 C34 120.8(4) . . ?
C33 C31 C34 120.2(4) . . ?
C31 C32 H32A 119.6 . . ?
C31 C32 C33 120.9(5) . 3_546 ?
C33 C32 H32A 119.5 3_546 . ?
C31 C33 H33A 120.0 . . ?
C32 C33 C31 120.1(5) 3_546 . ?
C32 C33 H33A 119.9 3_546 . ?
O31 C34 O32 125.2(4) . . ?
O31 C34 C31 117.6(4) . . ?
O32 C34 C31 117.2(4) . . ?
C42 C41 C43 119.8(4) . . ?
C42 C41 C44 119.8(4) . . ?
C43 C41 C44 120.4(4) . . ?
C41 C42 H42A 119.9 . . ?
C41 C42 C43 120.2(4) . 3_456 ?
C43 C42 H42A 119.9 3_456 . ?
C41 C43 C42 119.9(4) . 3_456 ?
C41 C43 H43A 120.0 . . ?
C42 C43 H43A 120.0 3_456 . ?
O41 C44 C41 116.8(4) . . ?
O42 C44 O41 126.4(4) . . ?
O42 C44 C41 116.7(4) . . ?
C1 N1 C3 108.9(7) . . ?
C1 N1 C4 127.3(7) . . ?
C3 N1 C4 123.7(7) . . ?
C1 N2 C2 106.6(6) . . ?
C1 N2 C7 126.2(7) . . ?
C2 N2 C7 127.1(7) . . ?
N1 C1 N2 109.1(6) . . ?
N1 C1 H1A 125.4 . . ?
N2 C1 H1A 125.4 . . ?
N2 C2 H2A 125.8 . . ?
C3 C2 N2 108.3(6) . . ?
C3 C2 H2A 125.8 . . ?
N1 C3 H3A 126.5 . . ?
C2 C3 N1 107.0(6) . . ?
C2 C3 H3A 126.5 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
C5 C6 H6A 108.4 . . ?
C5 C6 H6B 108.4 . . ?
C5 C6 C7 115.4(15) . . ?
H6A C6 H6B 107.5 . . ?
C7 C6 H6A 108.4 . . ?
C7 C6 H6B 108.4 . . ?
N2 C7 H7A 108.0 . . ?
N2 C7 H7B 108.0 . . ?
C6 C7 N2 117.3(10) . . ?
C6 C7 H7A 108.0 . . ?
C6 C7 H7B 108.0 . . ?
H7A C7 H7B 107.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Eu2 O13 C18 -16.0(5) . . . . ?
Eu1 Eu2 O23 C28 -14.7(3) . . . . ?
Eu1 Eu2 O24 C28 170.8(3) . . . . ?
Eu1 Eu2 O41 C44 -0.3(4) . . . . ?
Eu1 Eu2 C28 O23 163.0(3) . . . . ?
Eu1 Eu2 C28 O24 -6.0(2) . . . . ?
Eu1 Eu2 C28 C24 -114.3(14) . . . . ?
Eu1 O11 C17 O12 67.8(7) 3_446 . . . ?
Eu1 O11 C17 C11 -114.1(4) 3_446 . . . ?
Eu1 O14 C18 O13 -41.0(7) . . . . ?
Eu1 O14 C18 C14 139.3(3) . . . . ?
Eu1 O21 C27 O22 4.9(5) 4_455 . . . ?
Eu1 O21 C27 C21 -174.2(3) 4_455 . . . ?
Eu1 O22 C27 O21 -4.1(4) 4_455 . . . ?
Eu1 O22 C27 C21 175.1(4) 4_455 . . . ?
Eu1 O24 C28 Eu2 152.3(9) . . . . ?
Eu1 O24 C28 O23 141.4(7) . . . . ?
Eu1 O24 C28 C24 -42.0(11) . . . . ?
Eu1 O31 C34 O32 10.5(12) . . . . ?
Eu1 O31 C34 C31 -170.2(6) . . . . ?
Eu1 O42 C44 O41 37.6(8) . . . . ?
Eu1 O42 C44 C41 -139.3(4) . . . . ?
Eu2 Eu1 Cl1 Eu2 -155.558(18) . . . 4 ?
Eu2 Eu1 O14 C18 21.3(4) . . . . ?
Eu2 Eu1 O24 C28 -150.8(10) . . . . ?
Eu2 Eu1 O31 C34 171.3(7) . . . . ?
Eu2 Eu1 O42 C44 -26.7(5) . . . . ?
Eu2 O12 C17 O11 -38.8(8) 2_446 . . . ?
Eu2 O12 C17 C11 143.1(4) 2_446 . . . ?
Eu2 O13 C18 O14 38.5(8) . . . . ?
Eu2 O13 C18 C14 -141.8(4) . . . . ?
Eu2 O22 C27 Eu1 -149(2) 4_455 . . 4_455 ?
Eu2 O22 C27 O21 -153(2) 4_455 . . . ?
Eu2 O22 C27 C21 26(3) 4_455 . . . ?
Eu2 O23 C28 O24 11.7(5) . . . . ?
Eu2 O23 C28 C24 -165.0(3) . . . . ?
Eu2 O24 C28 O23 -10.9(4) . . . . ?
Eu2 O24 C28 C24 165.8(4) . . . . ?
Eu2 O32 C34 O31 -19.5(10) 4 . . . ?
Eu2 O32 C34 C31 161.2(4) 4 . . . ?
Eu2 O41 C44 O42 -15.9(8) . . . . ?
Eu2 O41 C44 C41 161.1(3) . . . . ?
Cl1 Eu1 Eu2 Cl1 -149.92(6) . . . 4_556 ?
Cl1 Eu1 Eu2 O12 55.31(14) . . . 2_456 ?
Cl1 Eu1 Eu2 O13 -175.10(11) . . . . ?
Cl1 Eu1 Eu2 O22 -81.41(12) . . . 4_656 ?
Cl1 Eu1 Eu2 O23 107.51(10) . . . . ?
Cl1 Eu1 Eu2 O24 95.78(13) . . . . ?
Cl1 Eu1 Eu2 O32 -49.18(11) . . . 4_556 ?
Cl1 Eu1 Eu2 O41 15.10(10) . . . . ?
Cl1 Eu1 Eu2 C28 100.37(11) . . . . ?
Cl1 Eu1 O14 C18 -169.8(3) . . . . ?
Cl1 Eu1 O24 Eu2 -120.89(9) . . . . ?
Cl1 Eu1 O24 C28 88.3(9) . . . . ?
Cl1 Eu1 O31 C34 -31.5(8) . . . . ?
Cl1 Eu1 O42 C44 158.5(5) . . . . ?
Cl1 Eu2 O13 C18 -176.0(5) 4_556 . . . ?
Cl1 Eu2 O23 C28 -145.7(3) 4_556 . . . ?
Cl1 Eu2 O24 Eu1 -99.63(12) 4_556 . . . ?
Cl1 Eu2 O24 C28 71.2(3) 4_556 . . . ?
Cl1 Eu2 O41 C44 151.3(3) 4_556 . . . ?
Cl1 Eu2 C28 O23 41.0(3) 4_556 . . . ?
Cl1 Eu2 C28 O24 -128.0(2) 4_556 . . . ?
Cl1 Eu2 C28 C24 123.7(14) 4_556 . . . ?
O11 Eu1 Eu2 Cl1 102.19(10) 3_446 . . 4_556 ?
O11 Eu1 Eu2 O12 -52.57(17) 3_446 . . 2_456 ?
O11 Eu1 Eu2 O13 77.01(14) 3_446 . . . ?
O11 Eu1 Eu2 O22 170.70(15) 3_446 . . 4_656 ?
O11 Eu1 Eu2 O23 -0.38(13) 3_446 . . . ?
O11 Eu1 Eu2 O24 -12.10(16) 3_446 . . . ?
O11 Eu1 Eu2 O32 -157.07(14) 3_446 . . 4_556 ?
O11 Eu1 Eu2 O41 -92.78(13) 3_446 . . . ?
O11 Eu1 Eu2 C28 -7.52(14) 3_446 . . . ?
O11 Eu1 Cl1 Eu2 -35.60(9) 3_446 . . 4 ?
O11 Eu1 O14 C18 -96.2(4) 3_446 . . . ?
O11 Eu1 O24 Eu2 168.82(14) 3_446 . . . ?
O11 Eu1 O24 C28 18.0(9) 3_446 . . . ?
O11 Eu1 O31 C34 53.2(8) 3_446 . . . ?
O11 Eu1 O42 C44 83.1(5) 3_446 . . . ?
O12 Eu2 O13 C18 120.0(5) 2_456 . . . ?
O12 Eu2 O23 C28 132.5(3) 2_456 . . . ?
O12 Eu2 O24 Eu1 153.25(12) 2_456 . . . ?
O12 Eu2 O24 C28 -35.9(3) 2_456 . . . ?
O12 Eu2 O41 C44 -155.0(4) 2_456 . . . ?
O12 Eu2 C28 O23 -44.4(3) 2_456 . . . ?
O12 Eu2 C28 O24 146.6(3) 2_456 . . . ?
O12 Eu2 C28 C24 38.3(14) 2_456 . . . ?
O13 Eu2 O23 C28 -80.8(3) . . . . ?
O13 Eu2 O24 Eu1 -76.14(14) . . . . ?
O13 Eu2 O24 C28 94.7(3) . . . . ?
O13 Eu2 O41 C44 -13.2(5) . . . . ?
O13 Eu2 C28 O23 92.4(3) . . . . ?
O13 Eu2 C28 O24 -76.6(3) . . . . ?
O13 Eu2 C28 C24 175.1(14) . . . . ?
O14 Eu1 Eu2 Cl1 22.76(10) . . . 4_556 ?
O14 Eu1 Eu2 O12 -132.00(17) . . . 2_456 ?
O14 Eu1 Eu2 O13 -2.42(14) . . . . ?
O14 Eu1 Eu2 O22 91.27(15) . . . 4_656 ?
O14 Eu1 Eu2 O23 -79.81(13) . . . . ?
O14 Eu1 Eu2 O24 -91.53(16) . . . . ?
O14 Eu1 Eu2 O32 123.50(14) . . . 4_556 ?
O14 Eu1 Eu2 O41 -172.21(13) . . . . ?
O14 Eu1 Eu2 C28 -86.95(14) . . . . ?
O14 Eu1 Cl1 Eu2 39.7(2) . . . 4 ?
O14 Eu1 O24 Eu2 75.39(13) . . . . ?
O14 Eu1 O24 C28 -75.5(9) . . . . ?
O14 Eu1 O31 C34 145.8(8) . . . . ?
O14 Eu1 O42 C44 -26.7(6) . . . . ?
O21 Eu1 Eu2 Cl1 -67.39(10) 4_656 . . 4_556 ?
O21 Eu1 Eu2 O12 137.85(17) 4_656 . . 2_456 ?
O21 Eu1 Eu2 O13 -92.57(14) 4_656 . . . ?
O21 Eu1 Eu2 O22 1.12(15) 4_656 . . 4_656 ?
O21 Eu1 Eu2 O23 -169.96(13) 4_656 . . . ?
O21 Eu1 Eu2 O24 178.32(16) 4_656 . . . ?
O21 Eu1 Eu2 O32 33.35(14) 4_656 . . 4_556 ?
O21 Eu1 Eu2 O41 97.64(13) 4_656 . . . ?
O21 Eu1 Eu2 C28 -177.10(14) 4_656 . . . ?
O21 Eu1 Cl1 Eu2 124.19(10) 4_656 . . 4 ?
O21 Eu1 O14 C18 105.3(4) 4_656 . . . ?
O21 Eu1 O24 Eu2 -1.98(18) 4_656 . . . ?
O21 Eu1 O24 C28 -152.8(9) 4_656 . . . ?
O21 Eu1 O31 C34 -123.6(8) 4_656 . . . ?
O21 Eu1 O42 C44 -111.1(5) 4_656 . . . ?
O22 Eu1 Eu2 Cl1 -68.51(12) 4_656 . . 4_556 ?
O22 Eu1 Eu2 O12 136.73(18) 4_656 . . 2_456 ?
O22 Eu1 Eu2 O13 -93.69(15) 4_656 . . . ?
O22 Eu1 Eu2 O23 -171.08(14) 4_656 . . . ?
O22 Eu1 Eu2 O24 177.19(17) 4_656 . . . ?
O22 Eu1 Eu2 O32 32.23(15) 4_656 . . 4_556 ?
O22 Eu1 Eu2 O41 96.51(15) 4_656 . . . ?
O22 Eu1 Eu2 C28 -178.22(15) 4_656 . . . ?
O22 Eu1 Cl1 Eu2 162.10(8) 4_656 . . 4 ?
O22 Eu1 O14 C18 57.8(4) 4_656 . . . ?
O22 Eu1 O24 Eu2 -1.67(10) 4_656 . . . ?
O22 Eu1 O24 C28 -152.5(9) 4_656 . . . ?
O22 Eu1 O31 C34 -152.5(8) 4_656 . . . ?
O22 Eu1 O42 C44 -64.4(5) 4_656 . . . ?
O22 Eu2 O13 C18 -60.8(5) 4_656 . . . ?
O22 Eu2 O23 C28 -22.3(3) 4_656 . . . ?
O22 Eu2 O24 Eu1 1.96(12) 4_656 . . . ?
O22 Eu2 O24 C28 172.8(3) 4_656 . . . ?
O22 Eu2 O41 C44 43.2(4) 4_656 . . . ?
O22 Eu2 C28 O23 161.8(3) 4_656 . . . ?
O22 Eu2 C28 O24 -7.2(3) 4_656 . . . ?
O22 Eu2 C28 C24 -115.5(14) 4_656 . . . ?
O23 Eu2 O13 C18 73.8(5) . . . . ?
O23 Eu2 O24 Eu1 -164.8(2) . . . . ?
O23 Eu2 O24 C28 6.0(2) . . . . ?
O23 Eu2 O41 C44 -83.9(4) . . . . ?
O23 Eu2 C28 O24 -169.0(4) . . . . ?
O23 Eu2 C28 C24 82.7(14) . . . . ?
O24 Eu1 Eu2 Cl1 114.29(13) . . . 4_556 ?
O24 Eu1 Eu2 O12 -40.47(19) . . . 2_456 ?
O24 Eu1 Eu2 O13 89.11(16) . . . . ?
O24 Eu1 Eu2 O22 -177.19(17) . . . 4_656 ?
O24 Eu1 Eu2 O23 11.73(15) . . . . ?
O24 Eu1 Eu2 O32 -144.97(16) . . . 4_556 ?
O24 Eu1 Eu2 O41 -80.68(16) . . . . ?
O24 Eu1 Eu2 C28 4.58(16) . . . . ?
O24 Eu1 Cl1 Eu2 -103.60(10) . . . 4 ?
O24 Eu1 O14 C18 -19.0(4) . . . . ?
O24 Eu1 O31 C34 107.0(8) . . . . ?
O24 Eu1 O42 C44 14.8(5) . . . . ?
O24 Eu2 O13 C18 21.2(5) . . . . ?
O24 Eu2 O23 C28 -6.2(3) . . . . ?
O24 Eu2 O41 C44 -37.3(4) . . . . ?
O24 Eu2 C28 O23 169.0(4) . . . . ?
O24 Eu2 C28 C24 -108.3(15) . . . . ?
O31 Eu1 Eu2 Cl1 -3.87(17) . . . 4_556 ?
O31 Eu1 Eu2 O12 -158.6(2) . . . 2_456 ?
O31 Eu1 Eu2 O13 -29.1(2) . . . . ?
O31 Eu1 Eu2 O22 64.6(2) . . . 4_656 ?
O31 Eu1 Eu2 O23 -106.44(19) . . . . ?
O31 Eu1 Eu2 O24 -118.2(2) . . . . ?
O31 Eu1 Eu2 O32 96.9(2) . . . 4_556 ?
O31 Eu1 Eu2 O41 161.15(19) . . . . ?
O31 Eu1 Eu2 C28 -113.6(2) . . . . ?
O31 Eu1 Cl1 Eu2 45.52(11) . . . 4 ?
O31 Eu1 O14 C18 -175.6(4) . . . . ?
O31 Eu1 O24 Eu2 114.45(18) . . . . ?
O31 Eu1 O24 C28 -36.4(10) . . . . ?
O31 Eu1 O42 C44 -175.7(4) . . . . ?
O32 Eu2 O13 C18 -123.5(5) 4_556 . . . ?
O32 Eu2 O23 C28 124.1(3) 4_556 . . . ?
O32 Eu2 O24 Eu1 57.6(2) 4_556 . . . ?
O32 Eu2 O24 C28 -131.6(3) 4_556 . . . ?
O32 Eu2 O41 C44 126.2(4) 4_556 . . . ?
O32 Eu2 C28 O23 -102.0(4) 4_556 . . . ?
O32 Eu2 C28 O24 89.0(3) 4_556 . . . ?
O32 Eu2 C28 C24 -19.3(15) 4_556 . . . ?
O41 Eu2 O13 C18 -2.7(6) . . . . ?
O41 Eu2 O23 C28 54.5(3) . . . . ?
O41 Eu2 O24 Eu1 85.45(14) . . . . ?
O41 Eu2 O24 C28 -103.7(3) . . . . ?
O41 Eu2 C28 O23 -122.9(3) . . . . ?
O41 Eu2 C28 O24 68.1(3) . . . . ?
O41 Eu2 C28 C24 -40.2(14) . . . . ?
O42 Eu1 Eu2 Cl1 -157.29(10) . . . 4_556 ?
O42 Eu1 Eu2 O12 47.95(17) . . . 2_456 ?
O42 Eu1 Eu2 O13 177.53(14) . . . . ?
O42 Eu1 Eu2 O22 -88.78(15) . . . 4_656 ?
O42 Eu1 Eu2 O23 100.14(13) . . . . ?
O42 Eu1 Eu2 O24 88.42(16) . . . . ?
O42 Eu1 Eu2 O32 -56.55(14) . . . 4_556 ?
O42 Eu1 Eu2 O41 7.74(13) . . . . ?
O42 Eu1 Eu2 C28 93.00(14) . . . . ?
O42 Eu1 Cl1 Eu2 -148.56(10) . . . 4 ?
O42 Eu1 O14 C18 21.2(5) . . . . ?
O42 Eu1 O24 Eu2 -74.96(13) . . . . ?
O42 Eu1 O24 C28 134.2(9) . . . . ?
O42 Eu1 O31 C34 -56.7(9) . . . . ?
C11 C12 C13 C14 0.0(9) . . . . ?
C12 C11 C16 C15 0.7(8) . . . . ?
C12 C11 C17 O11 161.2(5) . . . . ?
C12 C11 C17 O12 -20.6(7) . . . . ?
C12 C13 C14 C15 0.6(8) . . . . ?
C12 C13 C14 C18 179.4(5) . . . . ?
C13 C14 C15 C16 -0.4(8) . . . . ?
C13 C14 C18 O13 6.7(7) . . . . ?
C13 C14 C18 O14 -173.6(5) . . . . ?
C14 C15 C16 C11 -0.2(8) . . . . ?
C15 C14 C18 O13 -174.5(5) . . . . ?
C15 C14 C18 O14 5.3(7) . . . . ?
C16 C11 C12 C13 -0.6(8) . . . . ?
C16 C11 C17 O11 -17.6(7) . . . . ?
C16 C11 C17 O12 160.6(5) . . . . ?
C17 C11 C12 C13 -179.5(5) . . . . ?
C17 C11 C16 C15 179.6(5) . . . . ?
C18 C14 C15 C16 -179.3(5) . . . . ?
C21 C22 C23 C24 0.1(9) . . . . ?
C22 C21 C26 C25 -2.0(7) . . . . ?
C22 C21 C27 Eu1 177.5(14) . . . 4_455 ?
C22 C21 C27 O21 -157.4(5) . . . . ?
C22 C21 C27 O22 23.5(7) . . . . ?
C22 C23 C24 C25 -2.0(8) . . . . ?
C22 C23 C24 C28 173.7(5) . . . . ?
C23 C24 C25 C26 1.8(7) . . . . ?
C23 C24 C28 Eu2 -99.9(14) . . . . ?
C23 C24 C28 O23 -24.9(7) . . . . ?
C23 C24 C28 O24 158.3(5) . . . . ?
C24 C25 C26 C21 0.2(7) . . . . ?
C25 C24 C28 Eu2 75.8(15) . . . . ?
C25 C24 C28 O23 150.7(5) . . . . ?
C25 C24 C28 O24 -26.0(6) . . . . ?
C26 C21 C22 C23 1.9(8) . . . . ?
C26 C21 C27 Eu1 -0.7(19) . . . 4_455 ?
C26 C21 C27 O21 24.5(7) . . . . ?
C26 C21 C27 O22 -154.7(4) . . . . ?
C27 Eu1 Eu2 Cl1 -66.63(10) 4_656 . . 4_556 ?
C27 Eu1 Eu2 O12 138.61(17) 4_656 . . 2_456 ?
C27 Eu1 Eu2 O13 -91.81(14) 4_656 . . . ?
C27 Eu1 Eu2 O22 1.88(15) 4_656 . . 4_656 ?
C27 Eu1 Eu2 O23 -169.20(13) 4_656 . . . ?
C27 Eu1 Eu2 O24 179.08(16) 4_656 . . . ?
C27 Eu1 Eu2 O32 34.11(14) 4_656 . . 4_556 ?
C27 Eu1 Eu2 O41 98.40(14) 4_656 . . . ?
C27 Eu1 Eu2 C28 -176.34(14) 4_656 . . . ?
C27 Eu1 Cl1 Eu2 140.33(10) 4_656 . . 4 ?
C27 Eu1 O14 C18 82.8(4) 4_656 . . . ?
C27 Eu1 O24 Eu2 -0.81(14) 4_656 . . . ?
C27 Eu1 O24 C28 -151.7(9) 4_656 . . . ?
C27 Eu1 O31 C34 -137.8(8) 4_656 . . . ?
C27 Eu1 O42 C44 -88.6(5) 4_656 . . . ?
C27 C21 C22 C23 -176.3(5) . . . . ?
C27 C21 C26 C25 176.2(4) . . . . ?
C28 Eu2 O13 C18 48.0(5) . . . . ?
C28 Eu2 O24 Eu1 -170.8(3) . . . . ?
C28 Eu2 O41 C44 -63.1(4) . . . . ?
C28 C24 C25 C26 -173.8(4) . . . . ?
C32 C31 C33 C32 -0.1(10) . . . 3_546 ?
C32 C31 C34 O31 174.5(5) . . . . ?
C32 C31 C34 O32 -6.2(8) . . . . ?
C33 C31 C32 C33 0.1(11) . . . 3_546 ?
C33 C31 C34 O31 -5.5(8) . . . . ?
C33 C31 C34 O32 173.9(5) . . . . ?
C34 C31 C32 C33 -179.9(6) . . . 3_546 ?
C34 C31 C33 C32 179.9(6) . . . 3_546 ?
C42 C41 C43 C42 1.2(8) . . . 3_456 ?
C42 C41 C44 O41 -156.0(4) . . . . ?
C42 C41 C44 O42 21.3(7) . . . . ?
C43 C41 C42 C43 -1.2(8) . . . 3_456 ?
C43 C41 C44 O41 22.7(7) . . . . ?
C43 C41 C44 O42 -160.1(5) . . . . ?
C44 C41 C42 C43 177.5(4) . . . 3_456 ?
C44 C41 C43 C42 -177.4(4) . . . 3_456 ?
N2 C2 C3 N1 0.1(8) . . . . ?
C1 N1 C3 C2 -0.6(8) . . . . ?
C1 N2 C2 C3 0.4(8) . . . . ?
C1 N2 C7 C6 130.9(11) . . . . ?
C2 N2 C1 N1 -0.7(9) . . . . ?
C2 N2 C7 C6 -53.0(14) . . . . ?
C3 N1 C1 N2 0.8(9) . . . . ?
C4 N1 C1 N2 -179.8(7) . . . . ?
C4 N1 C3 C2 -179.9(7) . . . . ?
C5 C6 C7 N2 -54.1(18) . . . . ?
C7 N2 C1 N1 176.1(8) . . . . ?
C7 N2 C2 C3 -176.4(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Comp-7
_database_code_depnum_ccdc_archive 'CCDC 1455822'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_audit_creation_date             2016-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C32 H28 Cl Eu3 O22'
_chemical_formula_sum            'C32 H28 Cl Eu3 O22'
_chemical_formula_weight         1255.87
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y+1/2, z'
3 '-x, y+1/2, -z+1/2'
4 'x+1/2, -y, -z+1/2'
5 '-x, -y, -z'
6 'x-1/2, y-1/2, -z'
7 'x, -y-1/2, z-1/2'
8 '-x-1/2, y, z-1/2'

_cell_length_a                   18.1011(8)
_cell_length_b                   19.3828(8)
_cell_length_c                   10.2749(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3604.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6682
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8600
_cell_measurement_theta_min      3.8810
_exptl_absorpt_coefficient_mu    5.324
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2408
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            17736
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         4.10
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2878
_reflns_number_total             3130
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Siemens SHELXTLTM 5'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_refine_diff_density_max         2.731
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.207
_refine_ls_extinction_coef       0.00034(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3130
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0530
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0735P)²+149.6712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
_refine_ls_wR_factor_ref         0.1641
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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. Uiso/Uaniso restraints and constraints
Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.006 and sigma for
terminal atoms of 0.003
Uanis(O3W) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(Cl1) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
3. Others
 Fixed Sof: Cl1(0.5)
4.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB)
4.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25), C26(H26)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Eu1 Eu 0.2500 0.2500 0.28006(7) 0.0158(3) Uani 1 d . . 2 S T P
Eu2 Eu 0.57199(3) 0.24458(3) 0.33805(5) 0.0170(3) Uani 1 d . . 1 . . .
Cl1 Cl 0.6914(3) 0.3102(3) 0.2010(5) 0.0200(11) Uani 0.50 d A 1 1 . U .
C11 C 0.3102(6) 0.0651(5) -0.0008(11) 0.015(2) Uani 1 d . . 1 . . .
C12 C 0.3282(7) 0.0462(6) -0.1280(12) 0.024(3) Uani 1 d . . 1 . . .
H12 H 0.3278 0.0789 -0.1942 0.029 Uiso 1 calc . . 1 R . .
C13 C 0.3466(8) -0.0217(6) -0.1546(11) 0.028(3) Uani 1 d . . 1 . . .
H13 H 0.3593 -0.0346 -0.2389 0.033 Uiso 1 calc . . 1 R . .
C14 C 0.3459(6) -0.0704(5) -0.0560(11) 0.016(2) Uani 1 d . . 1 . . .
C15 C 0.3256(7) -0.0517(6) 0.0701(12) 0.021(2) Uani 1 d . . 1 . . .
H15 H 0.3247 -0.0845 0.1360 0.026 Uiso 1 calc . . 1 R . .
C16 C 0.3068(7) 0.0156(6) 0.0965(11) 0.021(2) Uani 1 d . . 1 . . .
H16 H 0.2917 0.0280 0.1798 0.026 Uiso 1 calc . . 1 R . .
C17 C 0.2952(6) 0.1404(6) 0.0299(10) 0.016(2) Uani 1 d . . 1 . U .
C18 C 0.3726(6) -0.1435(6) -0.0843(11) 0.017(2) Uani 1 d . . 1 . U .
O11 O 0.2767(5) 0.1545(4) 0.1429(8) 0.0253(19) Uani 1 d . . 1 . . .
O12 O 0.3038(5) 0.1824(4) -0.0610(8) 0.0241(19) Uani 1 d . . 1 . . .
O13 O 0.3886(6) -0.1579(4) -0.1981(9) 0.036(2) Uani 1 d . . 1 . . .
O14 O 0.3763(5) -0.1833(4) 0.0100(8) 0.029(2) Uani 1 d . . 1 . . .
C21 C 0.4228(6) 0.0805(6) 0.3414(11) 0.018(2) Uani 1 d A . 1 . . .
C22 C 0.4685(7) 0.0446(6) 0.2565(12) 0.025(3) Uani 1 d . . 1 . . .
H22 H 0.4928 0.0679 0.1898 0.030 Uiso 1 calc . . 1 R . .
C23 C 0.4781(6) -0.0265(6) 0.2715(11) 0.020(2) Uani 1 d . . 1 . . .
H23 H 0.5066 -0.0510 0.2120 0.024 Uiso 1 calc . . 1 R . .
C24 C 0.4452(6) -0.0605(6) 0.3744(11) 0.018(2) Uani 1 d . . 1 . . .
C25 C 0.4005(7) -0.0246(6) 0.4596(11) 0.024(3) Uani 1 d . . 1 . . .
H25 H 0.3779 -0.0474 0.5286 0.029 Uiso 1 calc . . 1 R . .
C26 C 0.3892(7) 0.0457(6) 0.4424(11) 0.022(2) Uani 1 d . . 1 . . .
H26 H 0.3587 0.0695 0.4997 0.026 Uiso 1 calc . . 1 R . .
C27 C 0.4120(6) 0.1573(6) 0.3245(11) 0.018(2) Uani 1 d . . 1 . . .
C28 C 0.4591(6) -0.1367(6) 0.3949(11) 0.017(2) Uani 1 d . . 1 . . .
O21 O 0.3556(4) 0.1841(4) 0.3782(8) 0.0218(17) Uani 1 d A . 1 . . .
O22 O 0.4591(4) 0.1904(4) 0.2583(8) 0.0224(18) Uani 1 d A . 1 . . .
O23 O 0.4485(5) -0.1600(4) 0.5069(8) 0.028(2) Uani 1 d . . 1 . . .
O24 O 0.4790(5) -0.1724(4) 0.2985(8) 0.0216(18) Uani 1 d . . 1 . . .
O1W O 0.3606(5) 0.2931(5) 0.1644(8) 0.0271(19) Uani 1 d . . 1 . . .
H1WA H 0.3517 0.2956 0.0832 0.041 Uiso 1 d . . 1 GR . .
H1WB H 0.3965 0.2657 0.1774 0.041 Uiso 1 d . . 1 GR . .
O2W O 0.6944(5) 0.1965(5) 0.4198(9) 0.036(2) Uani 1 d A . 1 . . .
H2WA H 0.7083 0.1626 0.3714 0.054 Uiso 1 d . . 1 GR . .
H2WB H 0.6896 0.1820 0.4987 0.054 Uiso 1 d . . 1 GR . .
O3W O 0.4690(5) 0.3002(4) 0.4651(8) 0.0252(19) Uani 1 d A . 1 . U .
H3WA H 0.4831 0.3073 0.5432 0.038 Uiso 1 d . . 1 GR . .
H3WB H 0.4315 0.2736 0.4656 0.038 Uiso 1 d . . 1 GR . .


_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 O11 2.375(8) 2 ?
Eu1 O11 2.375(8) . ?
Eu1 O12 2.310(8) 7_566 ?
Eu1 O12 2.310(8) 8_656 ?
Eu1 O21 2.511(8) 2 ?
Eu1 O21 2.511(8) . ?
Eu1 O1W 2.474(8) 2 ?
Eu1 O1W 2.474(8) . ?
Eu2 Cl1 2.876(6) . ?
Eu2 O13 2.323(8) 5_655 ?
Eu2 O14 2.295(8) 3_655 ?
Eu2 O22 2.438(8) . ?
Eu2 O23 2.316(8) 5_656 ?
Eu2 O24 2.326(7) 3_655 ?
Eu2 O2W 2.546(9) . ?
Eu2 O3W 2.519(8) . ?
C11 C12 1.395(16) . ?
C11 C16 1.387(16) . ?
C11 C17 1.518(14) . ?
C12 H12 0.9300 . ?
C12 C13 1.385(16) . ?
C13 H13 0.9300 . ?
C13 C14 1.385(16) . ?
C14 C15 1.395(16) . ?
C14 C18 1.525(14) . ?
C15 H15 0.9300 . ?
C15 C16 1.375(16) . ?
C16 H16 0.9300 . ?
C17 O11 1.240(14) . ?
C17 O12 1.248(14) . ?
C18 O13 1.237(14) . ?
C18 O14 1.239(14) . ?
O12 Eu1 2.310(8) 7_565 ?
O13 Eu2 2.323(8) 5_655 ?
O14 Eu2 2.295(8) 3_645 ?
C21 C22 1.390(17) . ?
C21 C26 1.379(16) . ?
C21 C27 1.511(15) . ?
C22 H22 0.9300 . ?
C22 C23 1.398(16) . ?
C23 H23 0.9300 . ?
C23 C24 1.380(16) . ?
C24 C25 1.381(16) . ?
C24 C28 1.513(15) . ?
C25 H25 0.9300 . ?
C25 C26 1.388(16) . ?
C26 H26 0.9300 . ?
C27 O21 1.271(13) . ?
C27 O22 1.266(14) . ?
C28 O23 1.251(14) . ?
C28 O24 1.261(14) . ?
O23 Eu2 2.316(8) 5_656 ?
O24 Eu2 2.326(7) 3_645 ?
O1W H1WA 0.8503 . ?
O1W H1WB 0.8503 . ?
O2W H2WA 0.8623 . ?
O2W H2WB 0.8620 . ?
O3W H3WA 0.8533 . ?
O3W H3WB 0.8531 . ?

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
O11 Eu1 O11 107.2(4) . 2 ?
O11 Eu1 O21 142.2(3) 2 . ?
O11 Eu1 O21 71.8(3) 2 2 ?
O11 Eu1 O21 71.8(3) . . ?
O11 Eu1 O21 142.2(3) . 2 ?
O11 Eu1 O1W 67.5(3) . 2 ?
O11 Eu1 O1W 79.2(3) . . ?
O11 Eu1 O1W 79.2(3) 2 2 ?
O11 Eu1 O1W 67.5(3) 2 . ?
O12 Eu1 O11 140.9(3) 7_566 . ?
O12 Eu1 O11 93.6(3) 8_656 . ?
O12 Eu1 O11 93.6(3) 7_566 2 ?
O12 Eu1 O11 140.9(3) 8_656 2 ?
O12 Eu1 O12 90.0(4) 8_656 7_566 ?
O12 Eu1 O21 71.5(3) 7_566 . ?
O12 Eu1 O21 71.5(3) 8_656 2 ?
O12 Eu1 O21 75.4(3) 7_566 2 ?
O12 Eu1 O21 75.4(3) 8_656 . ?
O12 Eu1 O1W 78.9(3) 7_566 . ?
O12 Eu1 O1W 150.8(3) 8_656 . ?
O12 Eu1 O1W 150.8(3) 7_566 2 ?
O12 Eu1 O1W 78.9(3) 8_656 2 ?
O21 Eu1 O21 132.6(4) . 2 ?
O1W Eu1 O21 129.6(3) 2 . ?
O1W Eu1 O21 75.4(3) 2 2 ?
O1W Eu1 O21 75.4(3) . . ?
O1W Eu1 O21 129.6(3) . 2 ?
O1W Eu1 O1W 122.6(4) 2 . ?
O13 Eu2 Cl1 77.6(3) 5_655 . ?
O13 Eu2 O22 74.8(3) 5_655 . ?
O13 Eu2 O24 104.4(3) 5_655 3_655 ?
O13 Eu2 O2W 70.9(4) 5_655 . ?
O13 Eu2 O3W 149.0(3) 5_655 . ?
O14 Eu2 Cl1 76.0(3) 3_655 . ?
O14 Eu2 O13 137.4(4) 3_655 5_655 ?
O14 Eu2 O22 146.3(3) 3_655 . ?
O14 Eu2 O23 91.6(3) 3_655 5_656 ?
O14 Eu2 O24 98.7(3) 3_655 3_655 ?
O14 Eu2 O2W 69.1(3) 3_655 . ?
O14 Eu2 O3W 71.8(3) 3_655 . ?
O22 Eu2 Cl1 131.0(2) . . ?
O22 Eu2 O2W 133.0(3) . . ?
O22 Eu2 O3W 74.8(3) . . ?
O23 Eu2 Cl1 140.4(3) 5_656 . ?
O23 Eu2 O13 87.9(3) 5_656 5_655 ?
O23 Eu2 O22 78.0(3) 5_656 . ?
O23 Eu2 O24 147.3(3) 5_656 3_655 ?
O23 Eu2 O2W 69.7(3) 5_656 . ?
O23 Eu2 O3W 80.1(3) 5_656 . ?
O24 Eu2 Cl1 72.4(2) 3_655 . ?
O24 Eu2 O22 76.3(3) 3_655 . ?
O24 Eu2 O2W 142.9(3) 3_655 . ?
O24 Eu2 O3W 73.9(3) 3_655 . ?
O2W Eu2 Cl1 70.7(2) . . ?
O3W Eu2 Cl1 128.4(2) . . ?
O3W Eu2 O2W 129.0(3) . . ?
C12 C11 C17 119.2(10) . . ?
C16 C11 C12 120.3(10) . . ?
C16 C11 C17 120.5(10) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(11) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.1(10) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 120.2(10) . . ?
C13 C14 C18 119.5(10) . . ?
C15 C14 C18 120.2(10) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.8(11) . . ?
C16 C15 H15 120.1 . . ?
C11 C16 H16 119.9 . . ?
C15 C16 C11 120.1(11) . . ?
C15 C16 H16 119.9 . . ?
O11 C17 C11 117.1(10) . . ?
O11 C17 O12 126.2(10) . . ?
O12 C17 C11 116.7(10) . . ?
O13 C18 C14 117.6(10) . . ?
O13 C18 O14 125.9(11) . . ?
O14 C18 C14 116.5(10) . . ?
C17 O11 Eu1 141.6(8) . . ?
C17 O12 Eu1 147.8(8) . 7_565 ?
C18 O13 Eu2 145.1(8) . 5_655 ?
C18 O14 Eu2 158.8(8) . 3_645 ?
C22 C21 C27 119.9(10) . . ?
C26 C21 C22 119.3(10) . . ?
C26 C21 C27 120.7(10) . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.9(11) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(11) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C25 119.9(10) . . ?
C23 C24 C28 120.0(10) . . ?
C25 C24 C28 120.1(10) . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0(11) . . ?
C26 C25 H25 120.0 . . ?
C21 C26 C25 120.8(11) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
O21 C27 C21 117.2(10) . . ?
O22 C27 C21 118.3(10) . . ?
O22 C27 O21 124.5(11) . . ?
O23 C28 C24 117.1(10) . . ?
O23 C28 O24 124.6(10) . . ?
O24 C28 C24 118.3(10) . . ?
C27 O21 Eu1 130.2(7) . . ?
C27 O22 Eu2 127.1(7) . . ?
C28 O23 Eu2 156.0(8) . 5_656 ?
C28 O24 Eu2 137.8(7) . 3_645 ?
Eu1 O1W H1WA 109.7 . . ?
Eu1 O1W H1WB 109.3 . . ?
H1WA O1W H1WB 109.5 . . ?
Eu2 O2W H2WA 110.0 . . ?
Eu2 O2W H2WB 110.0 . . ?
H2WA O2W H2WB 108.9 . . ?
Eu2 O3W H3WA 109.5 . . ?
Eu2 O3W H3WB 109.4 . . ?
H3WA O3W H3WB 109.3 . . ?

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
Cl1 Eu2 O22 C27 173.5(8) . . . . ?
C11 C12 C13 C14 1(2) . . . . ?
C11 C17 O11 Eu1 175.5(8) . . . . ?
C11 C17 O12 Eu1 101.4(14) . . . 7_565 ?
C12 C11 C16 C15 4.1(18) . . . . ?
C12 C11 C17 O11 177.4(11) . . . . ?
C12 C11 C17 O12 -3.8(16) . . . . ?
C12 C13 C14 C15 1.1(19) . . . . ?
C12 C13 C14 C18 -174.8(12) . . . . ?
C13 C14 C15 C16 -0.6(18) . . . . ?
C13 C14 C18 O13 -5.5(17) . . . . ?
C13 C14 C18 O14 174.4(11) . . . . ?
C14 C15 C16 C11 -2.0(18) . . . . ?
C14 C18 O13 Eu2 -177.9(11) . . . 5_655 ?
C14 C18 O14 Eu2 -118(2) . . . 3_645 ?
C15 C14 C18 O13 178.6(11) . . . . ?
C15 C14 C18 O14 -1.5(16) . . . . ?
C16 C11 C12 C13 -3.6(19) . . . . ?
C16 C11 C17 O11 -3.1(16) . . . . ?
C16 C11 C17 O12 175.7(10) . . . . ?
C17 C11 C12 C13 175.9(11) . . . . ?
C17 C11 C16 C15 -175.3(10) . . . . ?
C18 C14 C15 C16 175.3(11) . . . . ?
O11 Eu1 O11 C17 19.2(11) 2 . . . ?
O11 Eu1 O21 C27 -52.7(11) 2 . . . ?
O11 Eu1 O21 C27 42.2(9) . . . . ?
O11 C17 O12 Eu1 -79.9(18) . . . 7_565 ?
O12 Eu1 O11 C17 165.7(13) 8_656 . . . ?
O12 Eu1 O11 C17 -99.9(13) 7_566 . . . ?
O12 Eu1 O21 C27 141.1(10) 8_656 . . . ?
O12 Eu1 O21 C27 -124.0(10) 7_566 . . . ?
O12 C17 O11 Eu1 -3(2) . . . . ?
O13 Eu2 O22 C27 115.4(9) 5_655 . . . ?
O13 C18 O14 Eu2 62(3) . . . 3_645 ?
O14 Eu2 O22 C27 -50.2(11) 3_655 . . . ?
O14 C18 O13 Eu2 2(2) . . . 5_655 ?
C21 C22 C23 C24 -3.4(18) . . . . ?
C21 C27 O21 Eu1 -121.0(9) . . . . ?
C21 C27 O22 Eu2 -89.3(11) . . . . ?
C22 C21 C26 C25 -0.3(18) . . . . ?
C22 C21 C27 O21 160.7(11) . . . . ?
C22 C21 C27 O22 -19.2(16) . . . . ?
C22 C23 C24 C25 2.6(18) . . . . ?
C22 C23 C24 C28 -176.5(11) . . . . ?
C23 C24 C25 C26 -0.6(19) . . . . ?
C23 C24 C28 O23 158.1(11) . . . . ?
C23 C24 C28 O24 -23.3(16) . . . . ?
C24 C25 C26 C21 -0.5(19) . . . . ?
C24 C28 O23 Eu2 161.6(15) . . . 5_656 ?
C24 C28 O24 Eu2 -107.1(11) . . . 3_645 ?
C25 C24 C28 O23 -20.9(17) . . . . ?
C25 C24 C28 O24 157.6(11) . . . . ?
C26 C21 C22 C23 2.2(18) . . . . ?
C26 C21 C27 O21 -21.0(16) . . . . ?
C26 C21 C27 O22 159.1(11) . . . . ?
C27 C21 C22 C23 -179.5(11) . . . . ?
C27 C21 C26 C25 -178.5(11) . . . . ?
C28 C24 C25 C26 178.4(11) . . . . ?
O21 Eu1 O11 C17 -121.0(13) . . . . ?
O21 Eu1 O11 C17 101.5(13) 2 . . . ?
O21 Eu1 O21 C27 -172.1(10) 2 . . . ?
O21 C27 O22 Eu2 90.8(12) . . . . ?
O22 C27 O21 Eu1 58.8(14) . . . . ?
O23 Eu2 O22 C27 24.3(9) 5_656 . . . ?
O23 C28 O24 Eu2 71.3(16) . . . 3_645 ?
O24 Eu2 O22 C27 -135.2(9) 3_655 . . . ?
O24 C28 O23 Eu2 -17(3) . . . 5_656 ?
O1W Eu1 O11 C17 -42.9(13) . . . . ?
O1W Eu1 O11 C17 89.3(13) 2 . . . ?
O1W Eu1 O21 C27 79.4(10) 2 . . . ?
O1W Eu1 O21 C27 -41.1(9) . . . . ?
O2W Eu2 O22 C27 71.2(10) . . . . ?
O3W Eu2 O22 C27 -58.5(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_comp-1
_database_code_depnum_ccdc_archive 'CCDC 1455823'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_audit_creation_date             2016-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C24 H13 Cl Eu2 O12, C6 N2'
_chemical_formula_sum            'C30 H13 Cl Eu2 N2 O12'
_chemical_formula_weight         932.79
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   8.0451(5)
_cell_length_b                   21.3785(12)
_cell_length_c                   18.3326(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.035(5)
_cell_angle_gamma                90.00
_cell_volume                     3153.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7416
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1100
_cell_measurement_theta_min      3.4640
_exptl_absorpt_coefficient_mu    4.093
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.13778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_unetI/netI     0.1251
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16396
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.47
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       ?
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_collimation    ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating-anode generator'
_diffrn_source_target            ?
_diffrn_source_type              ?
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4209
_reflns_number_total             5496
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Siemens SHELXTLTM 5'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_refine_diff_density_max         3.975
_refine_diff_density_min         -3.283
_refine_diff_density_rms         0.283
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5496
_refine_ls_number_restraints     74
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0792
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1237P)²+5.1973P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2109
_refine_ls_wR_factor_ref         0.2252
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O31) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C5) \\sim Ueq,
Uanis(C6) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(N2) \\sim Ueq: with sigma of
0.02 and sigma for terminal atoms of 0.01
Uanis(O32) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25),
 C26(H26), C32(H32), C33(H33), C42(H42), C43(H43)
3.b Tetrahedral OH refined with riding coordinates:
 O32(H32a)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Eu1 Eu 0.14450(8) 0.58122(3) 0.25030(4) 0.0173(3) Uani 1 d . . . .
Eu2 Eu -0.34813(8) 0.63167(3) 0.27537(4) 0.0189(3) Uani 1 d . . . .
Cl1 Cl -0.0667(5) 0.5987(2) 0.3672(2) 0.0422(11) Uani 1 d . . . .
C11 C 0.2860(18) 0.7929(7) 0.2589(9) 0.031(4) Uani 1 d . . . .
C12 C 0.1325(17) 0.8132(7) 0.2658(9) 0.029(3) Uani 1 d . . . .
H12 H 0.0456 0.7847 0.2694 0.035 Uiso 1 calc . . R .
C13 C 0.098(2) 0.8782(7) 0.2676(11) 0.042(5) Uani 1 d . . . .
H13 H -0.0098 0.8928 0.2733 0.050 Uiso 1 calc . . R .
C14 C 0.2276(18) 0.9189(7) 0.2609(10) 0.032(4) Uani 1 d . . . .
C15 C 0.392(2) 0.8970(8) 0.2535(12) 0.050(5) Uani 1 d . . . .
H15 H 0.4790 0.9253 0.2495 0.059 Uiso 1 calc . . R .
C16 C 0.4221(18) 0.8352(7) 0.2521(10) 0.040(4) Uani 1 d . . . .
H16 H 0.5300 0.8202 0.2469 0.048 Uiso 1 calc . . R .
C17 C 0.326(2) 0.7235(7) 0.2519(9) 0.036(4) Uani 1 d . . . .
C18 C 0.1952(19) 0.9873(7) 0.2583(10) 0.034(4) Uani 1 d . . . .
O11 O 0.2054(16) 0.6863(5) 0.2616(8) 0.052(3) Uani 1 d . . . .
O12 O 0.4646(15) 0.7057(6) 0.2363(7) 0.045(3) Uani 1 d . . . .
O13 O 0.0490(12) 1.0066(5) 0.2745(7) 0.037(3) Uani 1 d . . . .
O14 O 0.3095(15) 1.0225(5) 0.2351(9) 0.059(4) Uani 1 d . . . .
C21 C -0.1208(19) 0.6752(8) 0.0704(8) 0.032(4) Uani 1 d . . . .
C22 C -0.222(2) 0.7302(7) 0.0777(8) 0.033(4) Uani 1 d . . . .
H22 H -0.2515 0.7451 0.1235 0.039 Uiso 1 calc . . R .
C23 C -0.273(2) 0.7595(9) 0.0173(9) 0.044(5) Uani 1 d . . . .
H23 H -0.3361 0.7957 0.0221 0.053 Uiso 1 calc . . R .
C24 C -0.2355(18) 0.7376(8) -0.0538(8) 0.030(4) Uani 1 d . . . .
C25 C -0.1372(19) 0.6864(7) -0.0602(7) 0.028(3) Uani 1 d . . . U
H25 H -0.1057 0.6727 -0.1063 0.034 Uiso 1 calc . . R .
C26 C -0.0831(19) 0.6541(7) 0.0005(8) 0.030(3) Uani 1 d . . . .
H26 H -0.0207 0.6178 -0.0053 0.036 Uiso 1 calc . . R .
C27 C -0.0490(19) 0.6430(7) 0.1344(8) 0.025(3) Uani 1 d . . . .
C28 C -0.2893(19) 0.7737(8) -0.1204(8) 0.031(4) Uani 1 d . . . .
O21 O -0.1196(13) 0.6476(5) 0.1961(6) 0.034(3) Uani 1 d . . . .
O22 O 0.0799(14) 0.6143(6) 0.1284(6) 0.043(3) Uani 1 d . . . .
O23 O -0.4063(13) 0.8143(5) -0.1112(5) 0.032(2) Uani 1 d . . . .
O24 O -0.2227(14) 0.7655(5) -0.1801(6) 0.040(3) Uani 1 d . . . .
C31 C 0.474(2) 0.5251(8) 0.0688(8) 0.034(4) Uani 1 d . . . .
C32 C 0.356(2) 0.4900(10) 0.0353(10) 0.061(6) Uani 1 d . . . .
H32 H 0.2577 0.4820 0.0602 0.073 Uiso 1 calc . . R .
C33 C 0.625(3) 0.5339(10) 0.0332(10) 0.060(6) Uani 1 d . . . .
H33 H 0.7115 0.5556 0.0557 0.072 Uiso 1 calc . . R .
C34 C 0.444(3) 0.5505(9) 0.1423(9) 0.044(5) Uani 1 d . . . .
O31 O 0.3341(15) 0.5309(7) 0.1795(7) 0.055(4) Uani 1 d . . . U
O32 O 0.544(2) 0.5970(7) 0.1590(7) 0.066(4) Uani 1 d . . . U
H32A H 0.6064 0.5863 0.1922 0.099 Uiso 1 calc . . R .
C41 C 0.4385(17) 0.5175(8) 0.4310(7) 0.030(4) Uani 1 d . . . .
C42 C 0.540(2) 0.5573(10) 0.4684(10) 0.050(5) Uani 1 d . . . .
H42 H 0.5679 0.5960 0.4484 0.060 Uiso 1 calc . . R .
C43 C 0.396(2) 0.4599(8) 0.4626(9) 0.046(5) Uani 1 d . . . .
H43 H 0.3247 0.4328 0.4379 0.055 Uiso 1 calc . . R .
C44 C 0.3582(15) 0.5327(7) 0.3613(8) 0.023(3) Uani 1 d . . . .
O41 O 0.4028(12) 0.5852(4) 0.3287(5) 0.024(2) Uani 1 d . . . .
O42 O 0.2473(13) 0.5008(5) 0.3348(5) 0.034(3) Uani 1 d . . . .
N1 N -0.708(4) 0.733(2) -0.023(3) 0.162(13) Uani 1 d . . . U
N2 N -0.802(4) 0.823(2) 0.023(2) 0.149(11) Uani 1 d . . . U
C1 C -0.766(6) 0.785(3) -0.030(3) 0.153(16) Uani 1 d . . . U
C2 C -0.687(6) 0.713(3) 0.049(3) 0.179(19) Uani 1 d . . . U
C3 C -0.704(5) 0.782(2) 0.074(2) 0.138(12) Uani 1 d . . . U
C4 C -0.663(8) 0.662(3) -0.044(4) 0.22(2) Uani 1 d . . . U
C5 C -0.836(7) 0.895(3) 0.037(3) 0.176(19) Uani 1 d . . . U
C6 C -0.967(7) 0.898(3) 0.066(3) 0.19(2) Uani 1 d . . . U


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Eu2 4.1333(9) . ?
Eu1 Cl1 2.761(4) . ?
Eu1 O11 2.308(12) . ?
Eu1 O13 2.276(10) 2_545 ?
Eu1 C27 2.946(14) . ?
Eu1 O21 2.741(11) . ?
Eu1 O22 2.401(11) . ?
Eu1 C34 3.19(2) . ?
Eu1 O31 2.274(11) . ?
Eu1 C44 2.858(14) . ?
Eu1 O41 2.527(9) . ?
Eu1 O42 2.457(10) . ?
Eu2 Eu1 4.2466(9) 1_455 ?
Eu2 Cl1 2.907(4) . ?
Eu2 O12 2.298(11) 1_455 ?
Eu2 O14 2.362(12) 2_545 ?
Eu2 C28 2.823(16) 4_576 ?
Eu2 O21 2.369(11) . ?
Eu2 O23 2.424(10) 4_576 ?
Eu2 O24 2.552(10) 4_576 ?
Eu2 O32 2.418(14) 1_455 ?
Eu2 O41 2.441(10) 1_455 ?
C11 C12 1.31(2) . ?
C11 C16 1.42(2) . ?
C11 C17 1.52(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.42(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.36(2) . ?
C14 C15 1.41(2) . ?
C14 C18 1.49(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.35(2) . ?
C16 H16 0.9300 . ?
C17 O11 1.27(2) . ?
C17 O12 1.21(2) . ?
C18 O13 1.281(18) . ?
C18 O14 1.26(2) . ?
O12 Eu2 2.298(11) 1_655 ?
O13 Eu1 2.276(10) 2 ?
O14 Eu2 2.362(12) 2 ?
C21 C22 1.44(2) . ?
C21 C26 1.39(2) . ?
C21 C27 1.48(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.34(2) . ?
C23 H23 0.9300 . ?
C23 C24 1.42(2) . ?
C24 C25 1.36(2) . ?
C24 C28 1.51(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.38(2) . ?
C26 H26 0.9300 . ?
C27 O21 1.270(17) . ?
C27 O22 1.209(18) . ?
C28 Eu2 2.823(16) 4_575 ?
C28 O23 1.292(18) . ?
C28 O24 1.232(18) . ?
O23 Eu2 2.424(10) 4_575 ?
O24 Eu2 2.552(10) 4_575 ?
C31 C32 1.36(2) . ?
C31 C33 1.39(2) . ?
C31 C34 1.47(2) . ?
C32 H32 0.9300 . ?
C32 C33 1.37(2) 3_665 ?
C33 C32 1.37(2) 3_665 ?
C33 H33 0.9300 . ?
C34 O31 1.19(2) . ?
C34 O32 1.32(2) . ?
O32 Eu2 2.418(14) 1_655 ?
O32 H32A 0.8200 . ?
C41 C42 1.37(2) . ?
C41 C43 1.40(2) . ?
C41 C44 1.468(19) . ?
C42 H42 0.9300 . ?
C42 C43 1.41(2) 3_666 ?
C43 C42 1.41(2) 3_666 ?
C43 H43 0.9300 . ?
C44 O41 1.321(17) . ?
C44 O42 1.225(17) . ?
O41 Eu2 2.441(10) 1_655 ?
N1 C1 1.20(6) . ?
N1 C2 1.40(6) . ?
N1 C4 1.61(7) . ?
N2 C1 1.30(5) . ?
N2 C3 1.51(5) . ?
N2 C5 1.57(6) . ?
C1 C3 1.96(7) . ?
C2 C3 1.54(6) . ?
C2 C4 2.05(8) . ?
C5 C6 1.18(6) . ?

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
Cl1 Eu1 Eu2 44.58(8) . . ?
Cl1 Eu1 C27 100.0(3) . . ?
Cl1 Eu1 C34 167.3(3) . . ?
Cl1 Eu1 C44 82.4(3) . . ?
O11 Eu1 Eu2 86.5(3) . . ?
O11 Eu1 Cl1 85.9(4) . . ?
O11 Eu1 C27 75.0(5) . . ?
O11 Eu1 O21 72.2(4) . . ?
O11 Eu1 O22 81.0(5) . . ?
O11 Eu1 C34 95.5(5) . . ?
O11 Eu1 C44 99.3(4) . . ?
O11 Eu1 O41 75.0(4) . . ?
O11 Eu1 O42 123.6(4) . . ?
O13 Eu1 Eu2 63.2(3) 2_545 . ?
O13 Eu1 Cl1 80.1(3) 2_545 . ?
O13 Eu1 O11 147.8(4) 2_545 . ?
O13 Eu1 C27 79.0(4) 2_545 . ?
O13 Eu1 O21 76.1(4) 2_545 . ?
O13 Eu1 O22 82.7(4) 2_545 . ?
O13 Eu1 C34 104.4(5) 2_545 . ?
O13 Eu1 C44 107.4(4) 2_545 . ?
O13 Eu1 O41 134.4(3) 2_545 . ?
O13 Eu1 O42 82.2(4) 2_545 . ?
C27 Eu1 Eu2 57.1(3) . . ?
C27 Eu1 C34 92.5(4) . . ?
O21 Eu1 Eu2 33.1(2) . . ?
O21 Eu1 Cl1 74.6(2) . . ?
O21 Eu1 C27 25.5(3) . . ?
O21 Eu1 C34 117.9(4) . . ?
O21 Eu1 C44 155.8(3) . . ?
O22 Eu1 Eu2 79.6(3) . . ?
O22 Eu1 Cl1 123.3(3) . . ?
O22 Eu1 C27 23.4(4) . . ?
O22 Eu1 O21 48.9(4) . . ?
O22 Eu1 C34 69.3(4) . . ?
O22 Eu1 C44 154.1(4) . . ?
O22 Eu1 O41 134.2(3) . . ?
O22 Eu1 O42 149.9(4) . . ?
C34 Eu1 Eu2 148.0(3) . . ?
O31 Eu1 Eu2 146.2(3) . . ?
O31 Eu1 Cl1 157.0(4) . . ?
O31 Eu1 O11 111.7(5) . . ?
O31 Eu1 O13 90.8(5) . 2_545 ?
O31 Eu1 C27 98.9(4) . . ?
O31 Eu1 O21 123.9(4) . . ?
O31 Eu1 O22 75.7(4) . . ?
O31 Eu1 C34 16.3(5) . . ?
O31 Eu1 C44 80.3(4) . . ?
O31 Eu1 O41 77.8(4) . . ?
O31 Eu1 O42 78.7(4) . . ?
C44 Eu1 Eu2 126.3(2) . . ?
C44 Eu1 C27 173.5(4) . . ?
C44 Eu1 C34 85.0(4) . . ?
O41 Eu1 Eu2 135.7(2) . . ?
O41 Eu1 Cl1 93.5(2) . . ?
O41 Eu1 C27 146.0(4) . . ?
O41 Eu1 O21 145.7(3) . . ?
O41 Eu1 C34 74.8(4) . . ?
O41 Eu1 C44 27.5(3) . . ?
O42 Eu1 Eu2 115.8(3) . . ?
O42 Eu1 Cl1 79.2(3) . . ?
O42 Eu1 C27 161.0(4) . . ?
O42 Eu1 O21 148.3(3) . . ?
O42 Eu1 C34 89.6(4) . . ?
O42 Eu1 C44 25.2(4) . . ?
O42 Eu1 O41 52.3(3) . . ?
Eu1 Eu2 Eu1 147.50(2) . 1_455 ?
Cl1 Eu2 Eu1 138.54(9) . 1_455 ?
Cl1 Eu2 Eu1 41.81(7) . . ?
O12 Eu2 Eu1 140.6(3) 1_455 . ?
O12 Eu2 Eu1 60.7(3) 1_455 1_455 ?
O12 Eu2 Cl1 149.0(3) 1_455 . ?
O12 Eu2 O14 137.8(4) 1_455 2_545 ?
O12 Eu2 C28 80.1(4) 1_455 4_576 ?
O12 Eu2 O21 102.6(4) 1_455 . ?
O12 Eu2 O23 79.2(4) 1_455 4_576 ?
O12 Eu2 O24 76.5(4) 1_455 4_576 ?
O12 Eu2 O32 72.7(5) 1_455 1_455 ?
O12 Eu2 O41 82.3(4) 1_455 1_455 ?
O14 Eu2 Eu1 66.9(3) 2_545 . ?
O14 Eu2 Eu1 82.3(3) 2_545 1_455 ?
O14 Eu2 Cl1 72.9(3) 2_545 . ?
O14 Eu2 C28 137.8(5) 2_545 4_576 ?
O14 Eu2 O21 89.4(4) 2_545 . ?
O14 Eu2 O23 124.4(5) 2_545 4_576 ?
O14 Eu2 O24 145.6(4) 2_545 4_576 ?
O14 Eu2 O32 70.9(5) 2_545 1_455 ?
O14 Eu2 O41 74.8(4) 2_545 1_455 ?
C28 Eu2 Eu1 95.9(3) 4_576 . ?
C28 Eu2 Eu1 114.6(3) 4_576 1_455 ?
C28 Eu2 Cl1 69.6(3) 4_576 . ?
O21 Eu2 Eu1 39.2(3) . . ?
O21 Eu2 Eu1 135.7(3) . 1_455 ?
O21 Eu2 Cl1 77.6(3) . . ?
O21 Eu2 C28 100.5(4) . 4_576 ?
O21 Eu2 O23 127.5(4) . 4_576 ?
O21 Eu2 O24 76.5(4) . 4_576 ?
O21 Eu2 O32 77.3(5) . 1_455 ?
O21 Eu2 O41 160.3(4) . 1_455 ?
O23 Eu2 Eu1 91.6(2) 4_576 1_455 ?
O23 Eu2 Eu1 113.9(2) 4_576 . ?
O23 Eu2 Cl1 76.7(3) 4_576 . ?
O23 Eu2 C28 27.2(4) 4_576 4_576 ?
O23 Eu2 O24 52.6(3) 4_576 4_576 ?
O23 Eu2 O41 72.0(3) 4_576 1_455 ?
O24 Eu2 Eu1 129.3(3) 4_576 1_455 ?
O24 Eu2 Eu1 83.2(3) 4_576 . ?
O24 Eu2 Cl1 73.5(3) 4_576 . ?
O24 Eu2 C28 25.9(4) 4_576 4_576 ?
O32 Eu2 Eu1 58.9(4) 1_455 1_455 ?
O32 Eu2 Eu1 99.4(4) 1_455 . ?
O32 Eu2 Cl1 135.6(4) 1_455 . ?
O32 Eu2 C28 151.3(5) 1_455 4_576 ?
O32 Eu2 O23 146.5(5) 1_455 4_576 ?
O32 Eu2 O24 133.4(5) 1_455 4_576 ?
O32 Eu2 O41 86.3(5) 1_455 1_455 ?
O41 Eu2 Eu1 136.5(2) 1_455 . ?
O41 Eu2 Eu1 31.9(2) 1_455 1_455 ?
O41 Eu2 Cl1 108.0(2) 1_455 . ?
O41 Eu2 C28 99.1(4) 1_455 4_576 ?
O41 Eu2 O24 123.2(3) 1_455 4_576 ?
Eu1 Cl1 Eu2 93.62(11) . . ?
C12 C11 C16 121.4(15) . . ?
C12 C11 C17 121.9(15) . . ?
C16 C11 C17 116.5(14) . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.5(14) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.8 . . ?
C14 C13 C12 118.5(14) . . ?
C14 C13 H13 120.8 . . ?
C13 C14 C15 120.9(15) . . ?
C13 C14 C18 119.9(14) . . ?
C15 C14 C18 119.2(14) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.9(16) . . ?
C16 C15 H15 120.1 . . ?
C11 C16 H16 120.6 . . ?
C15 C16 C11 118.8(15) . . ?
C15 C16 H16 120.6 . . ?
O11 C17 C11 115.9(16) . . ?
O12 C17 C11 121.5(15) . . ?
O12 C17 O11 122.6(16) . . ?
O13 C18 C14 118.0(14) . . ?
O14 C18 C14 118.1(14) . . ?
O14 C18 O13 123.7(14) . . ?
C17 O11 Eu1 139.5(12) . . ?
C17 O12 Eu2 138.2(12) . 1_655 ?
C18 O13 Eu1 143.8(11) . 2 ?
C18 O14 Eu2 135.4(11) . 2 ?
C22 C21 C27 121.9(13) . . ?
C26 C21 C22 118.4(13) . . ?
C26 C21 C27 119.6(14) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 C21 118.7(14) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 H23 118.6 . . ?
C22 C23 C24 122.7(16) . . ?
C24 C23 H23 118.6 . . ?
C23 C24 C28 120.9(14) . . ?
C25 C24 C23 118.1(14) . . ?
C25 C24 C28 120.7(13) . . ?
C24 C25 H25 119.4 . . ?
C24 C25 C26 121.2(13) . . ?
C26 C25 H25 119.4 . . ?
C21 C26 H26 119.6 . . ?
C25 C26 C21 120.7(13) . . ?
C25 C26 H26 119.6 . . ?
C21 C27 Eu1 171.0(10) . . ?
O21 C27 Eu1 68.2(8) . . ?
O21 C27 C21 119.7(13) . . ?
O22 C27 Eu1 52.1(8) . . ?
O22 C27 C21 119.9(13) . . ?
O22 C27 O21 120.3(14) . . ?
C24 C28 Eu2 164.4(11) . 4_575 ?
O23 C28 Eu2 59.0(7) . 4_575 ?
O23 C28 C24 116.6(12) . . ?
O24 C28 Eu2 64.7(8) . 4_575 ?
O24 C28 C24 121.4(14) . . ?
O24 C28 O23 121.9(14) . . ?
Eu2 O21 Eu1 107.8(4) . . ?
C27 O21 Eu1 86.3(9) . . ?
C27 O21 Eu2 152.0(11) . . ?
C27 O22 Eu1 104.5(9) . . ?
C28 O23 Eu2 93.9(8) . 4_575 ?
C28 O24 Eu2 89.4(10) . 4_575 ?
C32 C31 C33 118.4(14) . . ?
C32 C31 C34 120.1(16) . . ?
C33 C31 C34 121.4(16) . . ?
C31 C32 H32 118.5 . . ?
C31 C32 C33 123.1(16) . 3_665 ?
C33 C32 H32 118.5 3_665 . ?
C31 C33 H33 120.8 . . ?
C32 C33 C31 118.4(16) 3_665 . ?
C32 C33 H33 120.8 3_665 . ?
C31 C34 Eu1 140.2(13) . . ?
O31 C34 Eu1 32.5(9) . . ?
O31 C34 C31 121.1(18) . . ?
O31 C34 O32 126.0(17) . . ?
O32 C34 Eu1 99.4(11) . . ?
O32 C34 C31 112.9(19) . . ?
C34 O31 Eu1 131.2(14) . . ?
Eu2 O32 H32A 38.0 1_655 . ?
C34 O32 Eu2 130.9(12) . 1_655 ?
C34 O32 H32A 109.5 . . ?
C42 C41 C43 119.1(15) . . ?
C42 C41 C44 124.3(16) . . ?
C43 C41 C44 116.4(14) . . ?
C41 C42 H42 119.8 . . ?
C41 C42 C43 120.3(17) . 3_666 ?
C43 C42 H42 119.8 3_666 . ?
C41 C43 C42 120.5(17) . 3_666 ?
C41 C43 H43 119.7 . . ?
C42 C43 H43 119.7 3_666 . ?
C41 C44 Eu1 164.7(10) . . ?
O41 C44 Eu1 62.2(7) . . ?
O41 C44 C41 117.5(13) . . ?
O42 C44 Eu1 58.8(8) . . ?
O42 C44 C41 122.8(14) . . ?
O42 C44 O41 119.5(13) . . ?
Eu2 O41 Eu1 117.4(4) 1_655 . ?
C44 O41 Eu1 90.3(8) . . ?
C44 O41 Eu2 138.6(8) . 1_655 ?
C44 O42 Eu1 96.0(9) . . ?
C1 N1 C2 115(6) . . ?
C1 N1 C4 158(6) . . ?
C2 N1 C4 85(4) . . ?
C1 N2 C3 88(4) . . ?
C1 N2 C5 142(4) . . ?
C3 N2 C5 123(4) . . ?
N1 C1 N2 126(6) . . ?
N1 C1 C3 77(4) . . ?
N2 C1 C3 50(3) . . ?
N1 C2 C3 89(4) . . ?
N1 C2 C4 52(3) . . ?
C3 C2 C4 140(4) . . ?
N2 C3 C1 41(2) . . ?
N2 C3 C2 115(4) . . ?
C2 C3 C1 77(3) . . ?
N1 C4 C2 43(2) . . ?
C6 C5 N2 107(6) . . ?

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 Eu2 Cl1 Eu1 130.17(8) 1_455 . . . ?
Eu1 Eu2 O21 Eu1 -130.8(2) 1_455 . . . ?
Eu1 Eu2 O21 C27 117(2) . . . . ?
Eu1 Eu2 O21 C27 -13(2) 1_455 . . . ?
Eu1 C27 O21 Eu2 -122(2) . . . . ?
Eu1 C34 O32 Eu2 53.0(15) . . . 1_655 ?
Eu1 C44 O41 Eu2 -134.7(12) . . . 1_655 ?
Eu2 Eu1 O11 C17 -167.2(18) . . . . ?
Eu2 Eu1 C27 C21 169(8) . . . . ?
Eu2 Eu1 C27 O21 15.7(8) . . . . ?
Eu2 Eu1 C27 O22 -162.2(12) . . . . ?
Eu2 Eu1 O21 C27 -155.3(12) . . . . ?
Eu2 Eu1 O22 C27 15.1(10) . . . . ?
Eu2 Eu1 C34 C31 -29(2) . . . . ?
Eu2 Eu1 C34 O31 -96.4(15) . . . . ?
Eu2 Eu1 C34 O32 115.6(9) . . . . ?
Eu2 Eu1 O31 C34 109.0(14) . . . . ?
Eu2 Eu1 C44 C41 -28(4) . . . . ?
Eu2 Eu1 C44 O41 -120.9(7) . . . . ?
Eu2 Eu1 C44 O42 73.0(9) . . . . ?
Eu2 Eu1 O41 Eu2 -129.7(3) . . . 1_655 ?
Eu2 Eu1 O41 C44 82.3(8) . . . . ?
Eu2 Eu1 O42 C44 -121.2(8) . . . . ?
Cl1 Eu1 Eu2 Eu1 -109.71(16) . . . 1_455 ?
Cl1 Eu1 Eu2 O12 131.6(5) . . . 1_455 ?
Cl1 Eu1 Eu2 O14 -89.8(5) . . . 2_545 ?
Cl1 Eu1 Eu2 C28 50.2(4) . . . 4_576 ?
Cl1 Eu1 Eu2 O21 149.7(4) . . . . ?
Cl1 Eu1 Eu2 O23 29.1(3) . . . 4_576 ?
Cl1 Eu1 Eu2 O24 72.8(3) . . . 4_576 ?
Cl1 Eu1 Eu2 O32 -154.2(4) . . . 1_455 ?
Cl1 Eu1 Eu2 O41 -59.6(4) . . . 1_455 ?
Cl1 Eu1 O11 C17 148.1(18) . . . . ?
Cl1 Eu1 C27 C21 156(7) . . . . ?
Cl1 Eu1 C27 O21 3.1(9) . . . . ?
Cl1 Eu1 C27 O22 -174.9(11) . . . . ?
Cl1 Eu1 O21 Eu2 -21.6(3) . . . . ?
Cl1 Eu1 O21 C27 -176.9(10) . . . . ?
Cl1 Eu1 O22 C27 6.0(12) . . . . ?
Cl1 Eu1 C34 C31 142.6(14) . . . . ?
Cl1 Eu1 C34 O31 75(2) . . . . ?
Cl1 Eu1 C34 O32 -73(2) . . . . ?
Cl1 Eu1 O31 C34 -147.1(12) . . . . ?
Cl1 Eu1 C44 C41 -20(4) . . . . ?
Cl1 Eu1 C44 O41 -112.9(7) . . . . ?
Cl1 Eu1 C44 O42 80.9(8) . . . . ?
Cl1 Eu1 O41 Eu2 -145.9(4) . . . 1_655 ?
Cl1 Eu1 O41 C44 66.1(7) . . . . ?
Cl1 Eu1 O42 C44 -95.0(8) . . . . ?
Cl1 Eu2 O21 Eu1 20.1(3) . . . . ?
Cl1 Eu2 O21 C27 137(2) . . . . ?
C11 C12 C13 C14 1(3) . . . . ?
C11 C17 O11 Eu1 171.5(12) . . . . ?
C11 C17 O12 Eu2 133.8(14) . . . 1_655 ?
C12 C11 C16 C15 1(3) . . . . ?
C12 C11 C17 O11 -8(2) . . . . ?
C12 C11 C17 O12 170.4(17) . . . . ?
C12 C13 C14 C15 -1(3) . . . . ?
C12 C13 C14 C18 176.4(16) . . . . ?
C13 C14 C15 C16 1(3) . . . . ?
C13 C14 C18 O13 11(3) . . . . ?
C13 C14 C18 O14 -163.5(18) . . . . ?
C14 C15 C16 C11 0(3) . . . . ?
C14 C18 O13 Eu1 -147.1(14) . . . 2 ?
C14 C18 O14 Eu2 -174.8(12) . . . 2 ?
C15 C14 C18 O13 -171.2(17) . . . . ?
C15 C14 C18 O14 14(3) . . . . ?
C16 C11 C12 C13 -1(3) . . . . ?
C16 C11 C17 O11 176.7(16) . . . . ?
C16 C11 C17 O12 -5(2) . . . . ?
C17 C11 C12 C13 -176.1(16) . . . . ?
C17 C11 C16 C15 176.0(17) . . . . ?
C18 C14 C15 C16 -176.7(17) . . . . ?
O11 Eu1 Eu2 Eu1 162.6(4) . . . 1_455 ?
O11 Eu1 Eu2 Cl1 -87.7(4) . . . . ?
O11 Eu1 Eu2 O12 43.9(6) . . . 1_455 ?
O11 Eu1 Eu2 O14 -177.5(6) . . . 2_545 ?
O11 Eu1 Eu2 C28 -37.5(5) . . . 4_576 ?
O11 Eu1 Eu2 O21 62.0(6) . . . . ?
O11 Eu1 Eu2 O23 -58.6(5) . . . 4_576 ?
O11 Eu1 Eu2 O24 -14.9(5) . . . 4_576 ?
O11 Eu1 Eu2 O32 118.1(5) . . . 1_455 ?
O11 Eu1 Eu2 O41 -147.3(5) . . . 1_455 ?
O11 Eu1 Cl1 Eu2 89.2(3) . . . . ?
O11 Eu1 C27 C21 73(7) . . . . ?
O11 Eu1 C27 O21 -79.9(10) . . . . ?
O11 Eu1 C27 O22 102.1(12) . . . . ?
O11 Eu1 O21 Eu2 -112.2(5) . . . . ?
O11 Eu1 O21 C27 92.5(10) . . . . ?
O11 Eu1 O22 C27 -73.0(11) . . . . ?
O11 Eu1 C34 C31 -121.4(19) . . . . ?
O11 Eu1 C34 O31 171.3(15) . . . . ?
O11 Eu1 C34 O32 23.3(11) . . . . ?
O11 Eu1 O31 C34 -9.3(16) . . . . ?
O11 Eu1 C44 C41 65(4) . . . . ?
O11 Eu1 C44 O41 -28.4(8) . . . . ?
O11 Eu1 C44 O42 165.5(9) . . . . ?
O11 Eu1 O41 Eu2 -61.1(5) . . . 1_655 ?
O11 Eu1 O41 C44 151.0(9) . . . . ?
O11 Eu1 O42 C44 -17.3(10) . . . . ?
O11 C17 O12 Eu2 -48(3) . . . 1_655 ?
O12 Eu2 Cl1 Eu1 -113.0(6) 1_455 . . . ?
O12 Eu2 O21 Eu1 168.4(4) 1_455 . . . ?
O12 Eu2 O21 C27 -74(2) 1_455 . . . ?
O12 C17 O11 Eu1 -7(3) . . . . ?
O13 Eu1 Eu2 Eu1 -5.9(3) 2_545 . . 1_455 ?
O13 Eu1 Eu2 Cl1 103.8(4) 2_545 . . . ?
O13 Eu1 Eu2 O12 -124.5(6) 2_545 . . 1_455 ?
O13 Eu1 Eu2 O14 14.0(6) 2_545 . . 2_545 ?
O13 Eu1 Eu2 C28 154.0(5) 2_545 . . 4_576 ?
O13 Eu1 Eu2 O21 -106.5(5) 2_545 . . . ?
O13 Eu1 Eu2 O23 132.9(4) 2_545 . . 4_576 ?
O13 Eu1 Eu2 O24 176.7(4) 2_545 . . 4_576 ?
O13 Eu1 Eu2 O32 -50.4(5) 2_545 . . 1_455 ?
O13 Eu1 Eu2 O41 44.2(5) 2_545 . . 1_455 ?
O13 Eu1 Cl1 Eu2 -61.6(3) 2_545 . . . ?
O13 Eu1 O11 C17 -147.7(15) 2_545 . . . ?
O13 Eu1 C27 C21 -126(7) 2_545 . . . ?
O13 Eu1 C27 O21 80.8(9) 2_545 . . . ?
O13 Eu1 C27 O22 -97.1(11) 2_545 . . . ?
O13 Eu1 O21 Eu2 61.9(4) 2_545 . . . ?
O13 Eu1 O21 C27 -93.5(10) 2_545 . . . ?
O13 Eu1 O22 C27 79.1(11) 2_545 . . . ?
O13 Eu1 C34 C31 33.0(19) 2_545 . . . ?
O13 Eu1 C34 O31 -34.3(15) 2_545 . . . ?
O13 Eu1 C34 O32 177.7(10) 2_545 . . . ?
O13 Eu1 O31 C34 146.9(15) 2_545 . . . ?
O13 Eu1 C44 C41 -97(4) 2_545 . . . ?
O13 Eu1 C44 O41 170.0(7) 2_545 . . . ?
O13 Eu1 C44 O42 3.8(9) 2_545 . . . ?
O13 Eu1 O41 Eu2 134.5(5) 2_545 . . 1_655 ?
O13 Eu1 O41 C44 -13.5(10) 2_545 . . . ?
O13 Eu1 O42 C44 -176.3(9) 2_545 . . . ?
O13 C18 O14 Eu2 11(3) . . . 2 ?
O14 Eu2 Cl1 Eu1 74.2(4) 2_545 . . . ?
O14 Eu2 O21 Eu1 -52.4(5) 2_545 . . . ?
O14 Eu2 O21 C27 65(2) 2_545 . . . ?
O14 C18 O13 Eu1 28(3) . . . 2 ?
C21 C22 C23 C24 2(3) . . . . ?
C21 C27 O21 Eu1 -175.3(15) . . . . ?
C21 C27 O21 Eu2 63(3) . . . . ?
C21 C27 O22 Eu1 175.0(13) . . . . ?
C22 C21 C26 C25 2(2) . . . . ?
C22 C21 C27 Eu1 -125(7) . . . . ?
C22 C21 C27 O21 26(2) . . . . ?
C22 C21 C27 O22 -151.4(16) . . . . ?
C22 C23 C24 C25 -3(3) . . . . ?
C22 C23 C24 C28 -177.3(16) . . . . ?
C23 C24 C25 C26 4(2) . . . . ?
C23 C24 C28 Eu2 51(4) . . . 4_575 ?
C23 C24 C28 O23 -18(2) . . . . ?
C23 C24 C28 O24 160.4(17) . . . . ?
C24 C25 C26 C21 -3(3) . . . . ?
C24 C28 O23 Eu2 162.9(12) . . . 4_575 ?
C24 C28 O24 Eu2 -163.7(14) . . . 4_575 ?
C25 C24 C28 Eu2 -123(4) . . . 4_575 ?
C25 C24 C28 O23 167.5(15) . . . . ?
C25 C24 C28 O24 -14(2) . . . . ?
C26 C21 C22 C23 -1(3) . . . . ?
C26 C21 C27 Eu1 51(8) . . . . ?
C26 C21 C27 O21 -157.6(16) . . . . ?
C26 C21 C27 O22 25(3) . . . . ?
C27 Eu1 Eu2 Eu1 88.2(4) . . . 1_455 ?
C27 Eu1 Eu2 Cl1 -162.1(4) . . . . ?
C27 Eu1 Eu2 O12 -30.4(6) . . . 1_455 ?
C27 Eu1 Eu2 O14 108.1(6) . . . 2_545 ?
C27 Eu1 Eu2 C28 -111.9(5) . . . 4_576 ?
C27 Eu1 Eu2 O21 -12.4(6) . . . . ?
C27 Eu1 Eu2 O23 -133.0(5) . . . 4_576 ?
C27 Eu1 Eu2 O24 -89.3(5) . . . 4_576 ?
C27 Eu1 Eu2 O32 43.7(5) . . . 1_455 ?
C27 Eu1 Eu2 O41 138.3(5) . . . 1_455 ?
C27 Eu1 Cl1 Eu2 15.2(3) . . . . ?
C27 Eu1 O11 C17 -110.4(18) . . . . ?
C27 Eu1 O21 Eu2 155.3(12) . . . . ?
C27 Eu1 C34 C31 -46.3(19) . . . . ?
C27 Eu1 C34 O31 -113.6(15) . . . . ?
C27 Eu1 C34 O32 98.5(11) . . . . ?
C27 Eu1 O31 C34 68.0(15) . . . . ?
C27 Eu1 C44 C41 92(5) . . . . ?
C27 Eu1 C44 O41 -1(4) . . . . ?
C27 Eu1 C44 O42 -167(3) . . . . ?
C27 Eu1 O41 Eu2 -32.2(9) . . . 1_655 ?
C27 Eu1 O41 C44 179.8(8) . . . . ?
C27 Eu1 O42 C44 175.6(10) . . . . ?
C27 C21 C22 C23 175.3(17) . . . . ?
C27 C21 C26 C25 -174.6(15) . . . . ?
C28 Eu2 Cl1 Eu1 -125.4(4) 4_576 . . . ?
C28 Eu2 O21 Eu1 86.3(5) 4_576 . . . ?
C28 Eu2 O21 C27 -156(2) 4_576 . . . ?
C28 C24 C25 C26 178.0(15) . . . . ?
O21 Eu1 Eu2 Eu1 100.6(4) . . . 1_455 ?
O21 Eu1 Eu2 Cl1 -149.7(4) . . . . ?
O21 Eu1 Eu2 O12 -18.1(6) . . . 1_455 ?
O21 Eu1 Eu2 O14 120.5(6) . . . 2_545 ?
O21 Eu1 Eu2 C28 -99.5(5) . . . 4_576 ?
O21 Eu1 Eu2 O23 -120.6(5) . . . 4_576 ?
O21 Eu1 Eu2 O24 -76.9(5) . . . 4_576 ?
O21 Eu1 Eu2 O32 56.1(6) . . . 1_455 ?
O21 Eu1 Eu2 O41 150.7(5) . . . 1_455 ?
O21 Eu1 Cl1 Eu2 16.6(3) . . . . ?
O21 Eu1 O11 C17 -136.8(19) . . . . ?
O21 Eu1 C27 C21 153(8) . . . . ?
O21 Eu1 C27 O22 -177.9(18) . . . . ?
O21 Eu1 O22 C27 1.2(10) . . . . ?
O21 Eu1 C34 C31 -49(2) . . . . ?
O21 Eu1 C34 O31 -116.0(14) . . . . ?
O21 Eu1 C34 O32 96.0(10) . . . . ?
O21 Eu1 O31 C34 73.2(15) . . . . ?
O21 Eu1 C44 C41 -2(5) . . . . ?
O21 Eu1 C44 O41 -95.2(11) . . . . ?
O21 Eu1 C44 O42 98.7(12) . . . . ?
O21 Eu1 O41 Eu2 -78.5(7) . . . 1_655 ?
O21 Eu1 O41 C44 133.5(8) . . . . ?
O21 Eu1 O42 C44 -129.4(8) . . . . ?
O21 Eu2 Cl1 Eu1 -19.0(3) . . . . ?
O21 C27 O22 Eu1 -2.2(19) . . . . ?
O22 Eu1 Eu2 Eu1 81.1(3) . . . 1_455 ?
O22 Eu1 Eu2 Cl1 -169.2(4) . . . . ?
O22 Eu1 Eu2 O12 -37.5(6) . . . 1_455 ?
O22 Eu1 Eu2 O14 101.0(5) . . . 2_545 ?
O22 Eu1 Eu2 C28 -119.0(5) . . . 4_576 ?
O22 Eu1 Eu2 O21 -19.5(5) . . . . ?
O22 Eu1 Eu2 O23 -140.1(4) . . . 4_576 ?
O22 Eu1 Eu2 O24 -96.3(4) . . . 4_576 ?
O22 Eu1 Eu2 O32 36.6(5) . . . 1_455 ?
O22 Eu1 Eu2 O41 131.2(5) . . . 1_455 ?
O22 Eu1 Cl1 Eu2 12.8(4) . . . . ?
O22 Eu1 O11 C17 -87.2(18) . . . . ?
O22 Eu1 C27 C21 -29(7) . . . . ?
O22 Eu1 C27 O21 177.9(18) . . . . ?
O22 Eu1 O21 Eu2 154.2(7) . . . . ?
O22 Eu1 O21 C27 -1.1(9) . . . . ?
O22 Eu1 C34 C31 -43.2(18) . . . . ?
O22 Eu1 C34 O31 -110.5(15) . . . . ?
O22 Eu1 C34 O32 101.5(11) . . . . ?
O22 Eu1 O31 C34 64.7(14) . . . . ?
O22 Eu1 C44 C41 153(4) . . . . ?
O22 Eu1 C44 O41 60.1(13) . . . . ?
O22 Eu1 C44 O42 -106.1(12) . . . . ?
O22 Eu1 O41 Eu2 -0.2(7) . . . 1_655 ?
O22 Eu1 O41 C44 -148.1(8) . . . . ?
O22 Eu1 O42 C44 123.1(9) . . . . ?
O22 C27 O21 Eu1 1.9(16) . . . . ?
O22 C27 O21 Eu2 -120(2) . . . . ?
O23 Eu2 Cl1 Eu1 -152.8(3) 4_576 . . . ?
O23 Eu2 O21 Eu1 82.4(5) 4_576 . . . ?
O23 Eu2 O21 C27 -160(2) 4_576 . . . ?
O23 C28 O24 Eu2 15.0(16) . . . 4_575 ?
O24 Eu2 Cl1 Eu1 -98.4(3) 4_576 . . . ?
O24 Eu2 O21 Eu1 95.9(4) 4_576 . . . ?
O24 Eu2 O21 C27 -147(2) 4_576 . . . ?
O24 C28 O23 Eu2 -15.9(17) . . . 4_575 ?
C31 C34 O31 Eu1 -136.4(14) . . . . ?
C31 C34 O32 Eu2 -150.6(12) . . . 1_655 ?
C32 C31 C33 C32 4(4) . . . 3_665 ?
C32 C31 C34 Eu1 -20(3) . . . . ?
C32 C31 C34 O31 16(3) . . . . ?
C32 C31 C34 O32 -161.6(19) . . . . ?
C33 C31 C32 C33 -4(4) . . . 3_665 ?
C33 C31 C34 Eu1 163.0(16) . . . . ?
C33 C31 C34 O31 -161.7(18) . . . . ?
C33 C31 C34 O32 21(2) . . . . ?
C34 Eu1 Eu2 Eu1 67.7(7) . . . 1_455 ?
C34 Eu1 Eu2 Cl1 177.4(7) . . . . ?
C34 Eu1 Eu2 O12 -51.0(8) . . . 1_455 ?
C34 Eu1 Eu2 O14 87.6(8) . . . 2_545 ?
C34 Eu1 Eu2 C28 -132.4(8) . . . 4_576 ?
C34 Eu1 Eu2 O21 -32.9(8) . . . . ?
C34 Eu1 Eu2 O23 -153.5(7) . . . 4_576 ?
C34 Eu1 Eu2 O24 -109.8(7) . . . 4_576 ?
C34 Eu1 Eu2 O32 23.2(8) . . . 1_455 ?
C34 Eu1 Eu2 O41 117.8(8) . . . 1_455 ?
C34 Eu1 Cl1 Eu2 -173.8(17) . . . . ?
C34 Eu1 O11 C17 -19.3(18) . . . . ?
C34 Eu1 C27 C21 -22(7) . . . . ?
C34 Eu1 C27 O21 -175.0(10) . . . . ?
C34 Eu1 C27 O22 7.1(12) . . . . ?
C34 Eu1 O21 Eu2 161.0(5) . . . . ?
C34 Eu1 O21 C27 5.7(11) . . . . ?
C34 Eu1 O22 C27 -172.4(12) . . . . ?
C34 Eu1 C44 C41 159(4) . . . . ?
C34 Eu1 C44 O41 66.4(8) . . . . ?
C34 Eu1 C44 O42 -99.7(9) . . . . ?
C34 Eu1 O41 Eu2 39.1(5) . . . 1_655 ?
C34 Eu1 O41 C44 -108.9(8) . . . . ?
C34 Eu1 O42 C44 79.1(9) . . . . ?
C34 C31 C32 C33 179(2) . . . 3_665 ?
C34 C31 C33 C32 -179.0(19) . . . 3_665 ?
O31 Eu1 Eu2 Eu1 37.6(7) . . . 1_455 ?
O31 Eu1 Eu2 Cl1 147.3(7) . . . . ?
O31 Eu1 Eu2 O12 -81.1(9) . . . 1_455 ?
O31 Eu1 Eu2 O14 57.5(8) . . . 2_545 ?
O31 Eu1 Eu2 C28 -162.5(8) . . . 4_576 ?
O31 Eu1 Eu2 O21 -63.0(8) . . . . ?
O31 Eu1 Eu2 O23 176.4(8) . . . 4_576 ?
O31 Eu1 Eu2 O24 -139.9(8) . . . 4_576 ?
O31 Eu1 Eu2 O32 -6.9(8) . . . 1_455 ?
O31 Eu1 Eu2 O41 87.7(8) . . . 1_455 ?
O31 Eu1 Cl1 Eu2 -129.6(9) . . . . ?
O31 Eu1 O11 C17 -16.7(19) . . . . ?
O31 Eu1 C27 C21 -37(7) . . . . ?
O31 Eu1 C27 O21 169.9(9) . . . . ?
O31 Eu1 C27 O22 -8.0(12) . . . . ?
O31 Eu1 O21 Eu2 143.3(5) . . . . ?
O31 Eu1 O21 C27 -12.0(11) . . . . ?
O31 Eu1 O22 C27 171.8(12) . . . . ?
O31 Eu1 C34 C31 67(2) . . . . ?
O31 Eu1 C34 O32 -148(2) . . . . ?
O31 Eu1 C44 C41 175(4) . . . . ?
O31 Eu1 C44 O41 82.2(8) . . . . ?
O31 Eu1 C44 O42 -83.9(9) . . . . ?
O31 Eu1 O41 Eu2 55.6(5) . . . 1_655 ?
O31 Eu1 O41 C44 -92.4(8) . . . . ?
O31 Eu1 O42 C44 91.3(9) . . . . ?
O31 C34 O32 Eu2 32(3) . . . 1_655 ?
O32 Eu2 Cl1 Eu1 37.8(6) 1_455 . . . ?
O32 Eu2 O21 Eu1 -123.0(5) 1_455 . . . ?
O32 Eu2 O21 C27 -6(2) 1_455 . . . ?
O32 C34 O31 Eu1 40(2) . . . . ?
C41 C44 O41 Eu1 -162.7(11) . . . . ?
C41 C44 O41 Eu2 62.7(18) . . . 1_655 ?
C41 C44 O42 Eu1 162.0(12) . . . . ?
C42 C41 C43 C42 -1(3) . . . 3_666 ?
C42 C41 C44 Eu1 -77(4) . . . . ?
C42 C41 C44 O41 8(2) . . . . ?
C42 C41 C44 O42 -167.8(16) . . . . ?
C43 C41 C42 C43 1(3) . . . 3_666 ?
C43 C41 C44 Eu1 98(4) . . . . ?
C43 C41 C44 O41 -176.6(14) . . . . ?
C43 C41 C44 O42 7(2) . . . . ?
C44 Eu1 Eu2 Eu1 -98.4(4) . . . 1_455 ?
C44 Eu1 Eu2 Cl1 11.3(4) . . . . ?
C44 Eu1 Eu2 O12 142.9(6) . . . 1_455 ?
C44 Eu1 Eu2 O14 -78.6(6) . . . 2_545 ?
C44 Eu1 Eu2 C28 61.5(5) . . . 4_576 ?
C44 Eu1 Eu2 O21 161.0(6) . . . . ?
C44 Eu1 Eu2 O23 40.3(5) . . . 4_576 ?
C44 Eu1 Eu2 O24 84.1(5) . . . 4_576 ?
C44 Eu1 Eu2 O32 -143.0(5) . . . 1_455 ?
C44 Eu1 Eu2 O41 -48.3(5) . . . 1_455 ?
C44 Eu1 Cl1 Eu2 -170.9(3) . . . . ?
C44 Eu1 O11 C17 66.5(18) . . . . ?
C44 Eu1 C27 C21 45(9) . . . . ?
C44 Eu1 C27 O21 -108(3) . . . . ?
C44 Eu1 C27 O22 74(4) . . . . ?
C44 Eu1 O21 Eu2 -39.8(11) . . . . ?
C44 Eu1 O21 C27 164.9(10) . . . . ?
C44 Eu1 O22 C27 -165.6(11) . . . . ?
C44 Eu1 C34 C31 139.7(19) . . . . ?
C44 Eu1 C34 O31 72.4(15) . . . . ?
C44 Eu1 C34 O32 -75.6(10) . . . . ?
C44 Eu1 O31 C34 -105.5(15) . . . . ?
C44 Eu1 O41 Eu2 148.0(10) . . . 1_655 ?
C44 C41 C42 C43 176.1(16) . . . 3_666 ?
C44 C41 C43 C42 -176.5(16) . . . 3_666 ?
O41 Eu1 Eu2 Eu1 -133.1(3) . . . 1_455 ?
O41 Eu1 Eu2 Cl1 -23.4(3) . . . . ?
O41 Eu1 Eu2 O12 108.3(6) . . . 1_455 ?
O41 Eu1 Eu2 O14 -113.2(5) . . . 2_545 ?
O41 Eu1 Eu2 C28 26.8(4) . . . 4_576 ?
O41 Eu1 Eu2 O21 126.3(5) . . . . ?
O41 Eu1 Eu2 O23 5.7(4) . . . 4_576 ?
O41 Eu1 Eu2 O24 49.4(4) . . . 4_576 ?
O41 Eu1 Eu2 O32 -177.6(5) . . . 1_455 ?
O41 Eu1 Eu2 O41 -83.0(4) . . . 1_455 ?
O41 Eu1 Cl1 Eu2 163.9(2) . . . . ?
O41 Eu1 O11 C17 53.4(17) . . . . ?
O41 Eu1 C27 C21 44(8) . . . . ?
O41 Eu1 C27 O21 -108.8(10) . . . . ?
O41 Eu1 C27 O22 73.3(13) . . . . ?
O41 Eu1 O21 Eu2 -94.5(6) . . . . ?
O41 Eu1 O21 C27 110.2(10) . . . . ?
O41 Eu1 O22 C27 -131.7(10) . . . . ?
O41 Eu1 C34 C31 166(2) . . . . ?
O41 Eu1 C34 O31 98.5(15) . . . . ?
O41 Eu1 C34 O32 -49.5(10) . . . . ?
O41 Eu1 O31 C34 -77.6(14) . . . . ?
O41 Eu1 C44 C41 93(4) . . . . ?
O41 Eu1 C44 O42 -166.2(13) . . . . ?
O41 Eu1 O42 C44 8.0(8) . . . . ?
O41 Eu2 Cl1 Eu1 141.4(3) 1_455 . . . ?
O41 Eu2 O21 Eu1 -88.8(10) 1_455 . . . ?
O41 Eu2 O21 C27 29(3) 1_455 . . . ?
O41 C44 O42 Eu1 -14.1(13) . . . . ?
O42 Eu1 Eu2 Eu1 -71.5(3) . . . 1_455 ?
O42 Eu1 Eu2 Cl1 38.2(3) . . . . ?
O42 Eu1 Eu2 O12 169.8(6) . . . 1_455 ?
O42 Eu1 Eu2 O14 -51.6(5) . . . 2_545 ?
O42 Eu1 Eu2 C28 88.4(4) . . . 4_576 ?
O42 Eu1 Eu2 O21 -172.1(5) . . . . ?
O42 Eu1 Eu2 O23 67.3(4) . . . 4_576 ?
O42 Eu1 Eu2 O24 111.0(4) . . . 4_576 ?
O42 Eu1 Eu2 O32 -116.1(5) . . . 1_455 ?
O42 Eu1 Eu2 O41 -21.4(4) . . . 1_455 ?
O42 Eu1 Cl1 Eu2 -145.5(3) . . . . ?
O42 Eu1 O11 C17 73.9(19) . . . . ?
O42 Eu1 C27 C21 -118(7) . . . . ?
O42 Eu1 C27 O21 89.0(15) . . . . ?
O42 Eu1 C27 O22 -88.9(15) . . . . ?
O42 Eu1 O21 Eu2 13.6(8) . . . . ?
O42 Eu1 O21 C27 -141.7(9) . . . . ?
O42 Eu1 O22 C27 139.6(11) . . . . ?
O42 Eu1 C34 C31 114.9(19) . . . . ?
O42 Eu1 C34 O31 47.6(15) . . . . ?
O42 Eu1 C34 O32 -100.4(10) . . . . ?
O42 Eu1 O31 C34 -131.2(15) . . . . ?
O42 Eu1 C44 C41 -101(4) . . . . ?
O42 Eu1 C44 O41 166.2(13) . . . . ?
O42 Eu1 O41 Eu2 140.6(6) . . . 1_655 ?
O42 Eu1 O41 C44 -7.4(7) . . . . ?
O42 C44 O41 Eu1 13.6(13) . . . . ?
O42 C44 O41 Eu2 -121.1(13) . . . 1_655 ?
N1 C1 C3 N2 -169(5) . . . . ?
N1 C1 C3 C2 -11(4) . . . . ?
N1 C2 C3 N2 26(5) . . . . ?
N1 C2 C3 C1 9(3) . . . . ?
N2 C1 C3 C2 158(4) . . . . ?
C1 N1 C2 C3 -17(5) . . . . ?
C1 N1 C2 C4 171(5) . . . . ?
C1 N1 C4 C2 -157(13) . . . . ?
C1 N2 C3 C2 -24(5) . . . . ?
C1 N2 C5 C6 125(7) . . . . ?
C2 N1 C1 N2 3(8) . . . . ?
C2 N1 C1 C3 13(4) . . . . ?
C3 N2 C1 N1 13(6) . . . . ?
C3 N2 C5 C6 -94(6) . . . . ?
C3 C2 C4 N1 -12(6) . . . . ?
C4 N1 C1 N2 158(10) . . . . ?
C4 N1 C1 C3 168(12) . . . . ?
C4 N1 C2 C3 173(4) . . . . ?
C4 C2 C3 N2 35(8) . . . . ?
C4 C2 C3 C1 19(6) . . . . ?
C5 N2 C1 N1 161(5) . . . . ?
C5 N2 C1 C3 148(7) . . . . ?
C5 N2 C3 C1 -157(5) . . . . ?
C5 N2 C3 C2 179(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Comp-3
_database_code_depnum_ccdc_archive 'CCDC 1455824'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_audit_creation_date             2016-09-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C24 H12 Cl Eu2 O12, C8 H15 N2'
_chemical_formula_sum            'C32 H27 Cl Eu2 N2 O12'
_chemical_formula_weight         970.93
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.1758(6)
_cell_length_b                   10.9867(3)
_cell_length_c                   33.4105(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.273(3)
_cell_angle_gamma                90.00
_cell_volume                     6850.9(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    13846
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1200
_cell_measurement_theta_min      3.4880
_exptl_absorpt_coefficient_mu    3.771
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3776
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            32067
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.49
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5645
_reflns_number_total             6013
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL-1997 (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.935
_refine_diff_density_min         -1.455
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         6013
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0384
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0095P)²+188.9718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0818
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B)
2.b Me refined with riding coordinates:
 C4(H4A,H4B,H4C), C8(H8A,H8B,H8C)
2.c Aromatic/amide H refined with riding coordinates:
 C12(H12A), C13(H13A), C15(H15A), C16(H16A), C22(H22A), C23(H23A), C25(H25A),
 C26(H26A), C32(H32A), C33(H33A), C42(H42A), C43(H43A), C1(H1A), C2(H2A),
 C3(H3A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Eu1 Eu 0.013013(17) 0.18479(3) 0.186682(9) 0.01460(9) Uani 1 d . . 1 . . .
Eu2 Eu 0.003489(16) 0.05911(3) 0.055764(9) 0.01267(9) Uani 1 d . . 1 . . .
Cl1 Cl -0.07806(8) 0.08659(17) 0.11528(5) 0.0240(4) Uani 1 d . . 1 . . .
O11 O 0.0318(3) 0.3367(4) 0.13901(15) 0.0292(12) Uani 1 d . . 1 . . .
O12 O 0.0563(3) 0.2376(4) 0.08591(15) 0.0277(11) Uani 1 d . . 1 . . .
O13 O 0.0188(2) 0.8708(4) 0.01979(14) 0.0206(10) Uani 1 d . . 1 . . .
O14 O 0.0722(3) 0.7683(4) -0.02134(14) 0.0279(11) Uani 1 d . . 1 . . .
C11 C 0.0541(4) 0.4528(6) 0.08284(19) 0.0192(14) Uani 1 d . . 1 . . .
C12 C 0.0333(5) 0.5609(7) 0.0970(2) 0.0353(18) Uani 1 d . . 1 . . .
H12A H 0.0196 0.5635 0.1219 0.042 Uiso 1 calc . . 1 R . .
C13 C 0.0329(4) 0.6672(7) 0.0740(2) 0.0339(18) Uani 1 d . . 1 . . .
H13A H 0.0159 0.7393 0.0829 0.041 Uiso 1 calc . . 1 R . .
C14 C 0.0570(3) 0.6661(6) 0.0387(2) 0.0206(14) Uani 1 d . . 1 . . .
C15 C 0.0808(4) 0.5570(7) 0.0254(2) 0.0268(16) Uani 1 d . . 1 . . .
H15A H 0.0984 0.5556 0.0017 0.032 Uiso 1 calc . . 1 R . .
C16 C 0.0783(4) 0.4511(6) 0.0471(2) 0.0265(16) Uani 1 d . . 1 . . .
H16A H 0.0931 0.3781 0.0376 0.032 Uiso 1 calc . . 1 R . .
C17 C 0.0473(4) 0.3337(6) 0.1044(2) 0.0203(14) Uani 1 d . . 1 . . .
C18 C 0.0511(3) 0.7751(6) 0.0111(2) 0.0174(14) Uani 1 d . . 1 . . .
O21 O 0.0960(3) 0.0737(5) 0.16113(15) 0.0290(11) Uani 1 d . . 1 . . .
O22 O 0.0791(3) -0.0522(5) 0.10800(14) 0.0278(11) Uani 1 d . . 1 . . .
O23 O 0.3811(3) -0.2800(5) 0.26413(15) 0.0351(13) Uani 1 d . . 1 . . .
O24 O 0.4014(3) -0.3230(5) 0.20280(16) 0.0340(12) Uani 1 d . . 1 . . .
C21 C 0.1715(3) -0.0973(6) 0.16647(19) 0.0197(14) Uani 1 d . . 1 . . .
C22 C 0.1983(4) -0.1912(7) 0.1463(2) 0.0270(16) Uani 1 d . . 1 . . .
H22A H 0.1743 -0.2140 0.1200 0.032 Uiso 1 calc . . 1 R . .
C23 C 0.2603(4) -0.2503(6) 0.1654(2) 0.0247(15) Uani 1 d . . 1 . . .
H23A H 0.2794 -0.3101 0.1514 0.030 Uiso 1 calc . . 1 R . .
C24 C 0.2940(4) -0.2215(6) 0.2051(2) 0.0212(14) Uani 1 d . . 1 . . .
C25 C 0.2651(4) -0.1320(7) 0.2260(2) 0.0305(18) Uani 1 d . . 1 . . .
H25A H 0.2868 -0.1141 0.2532 0.037 Uiso 1 calc . . 1 R . .
C26 C 0.2045(4) -0.0701(7) 0.2065(2) 0.0295(17) Uani 1 d . . 1 . . .
H26A H 0.1857 -0.0096 0.2204 0.035 Uiso 1 calc . . 1 R . .
C27 C 0.1099(3) -0.0200(6) 0.14394(19) 0.0181(14) Uani 1 d . . 1 . . .
C28 C 0.3639(3) -0.2797(6) 0.2257(2) 0.0217(15) Uani 1 d . . 1 . . .
O31 O -0.0037(4) 0.3734(5) 0.21641(17) 0.0440(15) Uani 1 d . . 1 . . .
O32 O 0.0180(3) 1.0002(4) 0.22042(18) 0.0366(13) Uani 1 d . . 1 . . .
C31 C 0.0000 0.5611(9) 0.2500 0.025(2) Uani 1 d . . 2 S T P
C32 C 0.0283(4) 0.6235(6) 0.2217(2) 0.0303(18) Uani 1 d . . 1 . . .
H32A H 0.0470 0.5810 0.2024 0.036 Uiso 1 calc . . 1 R . .
C33 C 0.0290(4) 0.7501(7) 0.2218(3) 0.0350(19) Uani 1 d . . 1 . . .
H33A H 0.0489 0.7923 0.2031 0.042 Uiso 1 calc . . 1 R . .
C34 C 0.0000 0.8127(9) 0.2500 0.023(2) Uani 1 d . . 2 S T P
C35 C 0.0000 0.4246(9) 0.2500 0.028(2) Uani 1 d . . 2 S T P
C36 C 0.0000 0.9491(9) 0.2500 0.026(2) Uani 1 d . . 2 S T P
O41 O -0.1068(2) -0.0303(5) 0.02806(14) 0.0269(11) Uani 1 d . . 1 . . .
O42 O -0.1161(2) -0.0789(5) -0.03776(14) 0.0261(11) Uani 1 d . . 1 . . .
C41 C -0.1951(3) -0.1712(7) -0.0023(2) 0.0234(15) Uani 1 d . . 1 . . .
C42 C -0.2247(4) -0.1689(7) 0.0320(2) 0.0242(15) Uani 1 d . . 1 . . .
H42A H -0.2077 -0.1147 0.0534 0.029 Uiso 1 calc . . 1 R . .
C43 C -0.2204(3) -0.2514(7) -0.0338(2) 0.0226(15) Uani 1 d . . 1 . . .
H43A H -0.2004 -0.2520 -0.0566 0.027 Uiso 1 calc . . 1 R . .
C44 C -0.1344(3) -0.0870(6) -0.0040(2) 0.0213(15) Uani 1 d . . 1 . . .
N1 N -0.2949(4) 0.0828(7) -0.0801(2) 0.0491(19) Uani 1 d . . 1 . . .
N2 N -0.3093(4) -0.0444(7) -0.1298(2) 0.0496(19) Uani 1 d . . 1 . . .
C1 C -0.2644(5) -0.0051(8) -0.0969(3) 0.043(2) Uani 1 d . . 1 . . .
H1A H -0.2182 -0.0346 -0.0868 0.052 Uiso 1 calc . . 1 R . .
C2 C -0.3624(5) 0.1012(10) -0.1038(4) 0.063(3) Uani 1 d . . 1 . . .
H2A H -0.3954 0.1584 -0.0991 0.076 Uiso 1 calc . . 1 R . .
C3 C -0.3717(5) 0.0229(11) -0.1342(4) 0.064(3) Uani 1 d . . 1 . . .
H3A H -0.4129 0.0142 -0.1551 0.077 Uiso 1 calc . . 1 R . .
C4 C -0.2615(7) 0.1535(12) -0.0437(4) 0.082(4) Uani 1 d . . 1 . . .
H4A H -0.2143 0.1226 -0.0324 0.122 Uiso 1 calc . . 1 R . .
H4B H -0.2899 0.1471 -0.0236 0.122 Uiso 1 calc . . 1 R . .
H4C H -0.2584 0.2373 -0.0513 0.122 Uiso 1 calc . . 1 R . .
C5 C -0.2952(7) -0.1435(10) -0.1564(3) 0.066(3) Uani 1 d . . 1 . . .
H5A H -0.2442 -0.1599 -0.1501 0.079 Uiso 1 calc . . 1 R . .
H5B H -0.3092 -0.1174 -0.1848 0.079 Uiso 1 calc . . 1 R . .
C6 C -0.3345(6) -0.2595(10) -0.1515(3) 0.064(3) Uani 1 d . . 1 . . .
H6A H -0.3856 -0.2454 -0.1606 0.077 Uiso 1 calc . . 1 R . .
H6B H -0.3246 -0.2808 -0.1225 0.077 Uiso 1 calc . . 1 R . .
C7 C -0.3136(7) -0.3655(12) -0.1754(4) 0.078(4) Uani 1 d . . 1 . . .
H7A H -0.3461 -0.4328 -0.1747 0.093 Uiso 1 calc . . 1 R . .
H7B H -0.3193 -0.3414 -0.2039 0.093 Uiso 1 calc . . 1 R . .
C8 C -0.2379(8) -0.4085(14) -0.1591(5) 0.108(5) Uani 1 d . . 1 . . .
H8A H -0.2277 -0.4745 -0.1757 0.162 Uiso 1 calc . . 1 R . .
H8B H -0.2323 -0.4359 -0.1312 0.162 Uiso 1 calc . . 1 R . .
H8C H -0.2053 -0.3427 -0.1598 0.162 Uiso 1 calc . . 1 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 4.3726(6) 2 ?
Eu1 Cl1 2.8269(15) . ?
Eu1 O11 2.391(5) . ?
Eu1 O21 2.319(5) . ?
Eu1 O23 2.333(5) 4 ?
Eu1 O24 2.326(5) 3_455 ?
Eu1 O31 2.351(5) . ?
Eu1 O32 2.312(5) 1_545 ?
Eu2 Eu2 3.9192(6) 5 ?
Eu2 Cl1 2.8141(15) . ?
Eu2 O12 2.327(5) . ?
Eu2 O13 2.579(4) 5_565 ?
Eu2 O13 2.444(4) 1_545 ?
Eu2 O14 2.502(5) 5_565 ?
Eu2 C18 2.886(6) 5_565 ?
Eu2 O22 2.342(4) . ?
Eu2 O41 2.323(4) . ?
Eu2 O42 2.381(4) 5 ?
O11 C17 1.259(8) . ?
O12 C17 1.256(8) . ?
O13 Eu2 2.579(4) 5_565 ?
O13 Eu2 2.444(4) 1_565 ?
O13 C18 1.286(8) . ?
O14 Eu2 2.502(5) 5_565 ?
O14 C18 1.243(8) . ?
C11 C12 1.371(10) . ?
C11 C16 1.378(9) . ?
C11 C17 1.513(9) . ?
C12 H12A 0.9300 . ?
C12 C13 1.396(10) . ?
C13 H13A 0.9300 . ?
C13 C14 1.363(10) . ?
C14 C15 1.391(10) . ?
C14 C18 1.500(9) . ?
C15 H15A 0.9300 . ?
C15 C16 1.378(10) . ?
C16 H16A 0.9300 . ?
C18 Eu2 2.886(6) 5_565 ?
O21 C27 1.237(8) . ?
O22 C27 1.261(8) . ?
O23 Eu1 2.333(5) 4_545 ?
O23 C28 1.251(8) . ?
O24 Eu1 2.326(5) 3_545 ?
O24 C28 1.257(8) . ?
C21 C22 1.393(10) . ?
C21 C26 1.375(9) . ?
C21 C27 1.508(9) . ?
C22 H22A 0.9300 . ?
C22 C23 1.376(9) . ?
C23 H23A 0.9300 . ?
C23 C24 1.372(9) . ?
C24 C25 1.392(10) . ?
C24 C28 1.501(9) . ?
C25 H25A 0.9300 . ?
C25 C26 1.375(10) . ?
C26 H26A 0.9300 . ?
O31 C35 1.243(7) . ?
O32 Eu1 2.312(5) 1_565 ?
O32 C36 1.252(7) . ?
C31 C32 1.377(8) . ?
C31 C32 1.377(8) 2 ?
C31 C35 1.499(13) . ?
C32 H32A 0.9300 . ?
C32 C33 1.390(10) . ?
C33 H33A 0.9300 . ?
C33 C34 1.382(9) . ?
C34 C33 1.382(9) 2 ?
C34 C36 1.499(14) . ?
C35 O31 1.243(7) 2 ?
C36 O32 1.252(7) 2 ?
O41 C44 1.247(8) . ?
O42 Eu2 2.381(4) 5 ?
O42 C44 1.259(8) . ?
C41 C42 1.389(9) . ?
C41 C43 1.373(9) . ?
C41 C44 1.499(9) . ?
C42 H42A 0.9300 . ?
C42 C43 1.381(9) 7_445 ?
C43 C42 1.381(9) 7_445 ?
C43 H43A 0.9300 . ?
N1 C1 1.319(12) . ?
N1 C2 1.368(12) . ?
N1 C4 1.460(13) . ?
N2 C1 1.306(11) . ?
N2 C3 1.386(13) . ?
N2 C5 1.469(13) . ?
C1 H1A 0.9300 . ?
C2 H2A 0.9300 . ?
C2 C3 1.313(15) . ?
C3 H3A 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.508(14) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.518(16) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.506(18) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?

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
Cl1 Eu1 Eu1 129.11(3) . 2 ?
O11 Eu1 Eu1 135.46(12) . 2 ?
O11 Eu1 Cl1 82.11(13) . . ?
O21 Eu1 Eu1 126.64(12) . 2 ?
O21 Eu1 Cl1 80.32(12) . . ?
O21 Eu1 O11 84.32(18) . . ?
O21 Eu1 O23 77.66(18) . 4 ?
O21 Eu1 O24 144.31(19) . 3_455 ?
O21 Eu1 O31 142.3(2) . . ?
O23 Eu1 Eu1 65.97(13) 4 2 ?
O23 Eu1 Cl1 157.96(14) 4 . ?
O23 Eu1 O11 96.51(18) 4 . ?
O23 Eu1 O31 74.8(2) 4 . ?
O24 Eu1 Eu1 57.34(13) 3_455 2 ?
O24 Eu1 Cl1 76.01(14) 3_455 . ?
O24 Eu1 O11 117.87(18) 3_455 . ?
O24 Eu1 O23 122.81(18) 3_455 4 ?
O24 Eu1 O31 73.3(2) 3_455 . ?
O31 Eu1 Eu1 62.25(14) . 2 ?
O31 Eu1 Cl1 125.12(16) . . ?
O31 Eu1 O11 73.87(19) . . ?
O32 Eu1 Eu1 61.93(15) 1_545 2 ?
O32 Eu1 Cl1 91.44(15) 1_545 . ?
O32 Eu1 O11 160.32(19) 1_545 . ?
O32 Eu1 O21 76.25(19) 1_545 . ?
O32 Eu1 O23 82.53(19) 1_545 4 ?
O32 Eu1 O24 78.02(19) 1_545 3_455 ?
O32 Eu1 O31 124.2(2) 1_545 . ?
Cl1 Eu2 Eu2 143.53(3) . 5 ?
Cl1 Eu2 C18 108.52(14) . 5_565 ?
O12 Eu2 Eu2 127.38(12) . 5 ?
O12 Eu2 Cl1 82.01(13) . . ?
O12 Eu2 O13 97.46(15) . 5_565 ?
O12 Eu2 O13 146.78(17) . 1_545 ?
O12 Eu2 O14 73.11(17) . 5_565 ?
O12 Eu2 C18 81.25(17) . 5_565 ?
O12 Eu2 O22 89.08(18) . . ?
O12 Eu2 O42 72.69(17) . 5 ?
O13 Eu2 Eu2 37.51(10) 5_565 5 ?
O13 Eu2 Eu2 39.98(10) 1_545 5 ?
O13 Eu2 Cl1 125.97(11) 1_545 . ?
O13 Eu2 Cl1 131.71(11) 5_565 . ?
O13 Eu2 O13 77.49(16) 1_545 5_565 ?
O13 Eu2 O14 122.55(15) 1_545 5_565 ?
O13 Eu2 C18 102.52(17) 1_545 5_565 ?
O13 Eu2 C18 26.47(16) 5_565 5_565 ?
O14 Eu2 Eu2 85.67(11) 5_565 5 ?
O14 Eu2 Cl1 83.42(11) 5_565 . ?
O14 Eu2 O13 51.35(14) 5_565 5_565 ?
O14 Eu2 C18 25.42(17) 5_565 5_565 ?
C18 Eu2 Eu2 63.00(13) 5_565 5 ?
O22 Eu2 Eu2 114.55(12) . 5 ?
O22 Eu2 Cl1 83.06(12) . . ?
O22 Eu2 O13 78.49(16) . 1_545 ?
O22 Eu2 O13 145.14(16) . 5_565 ?
O22 Eu2 O14 158.96(17) . 5_565 ?
O22 Eu2 C18 163.54(18) . 5_565 ?
O22 Eu2 O42 78.07(17) . 5 ?
O41 Eu2 Eu2 69.62(11) . 5 ?
O41 Eu2 Cl1 73.99(12) . . ?
O41 Eu2 O12 142.62(18) . . ?
O41 Eu2 O13 69.35(16) . 1_545 ?
O41 Eu2 O13 78.76(16) . 5_565 ?
O41 Eu2 O14 75.99(18) . 5_565 ?
O41 Eu2 C18 79.81(18) . 5_565 ?
O41 Eu2 O22 115.32(18) . . ?
O41 Eu2 O42 137.19(16) . 5 ?
O42 Eu2 Eu2 67.99(11) 5 5 ?
O42 Eu2 Cl1 148.44(12) 5 . ?
O42 Eu2 O13 74.62(16) 5 1_545 ?
O42 Eu2 O13 71.44(15) 5 5_565 ?
O42 Eu2 O14 106.20(17) 5 5_565 ?
O42 Eu2 C18 86.31(18) 5 5_565 ?
Eu2 Cl1 Eu1 107.54(5) . . ?
C17 O11 Eu1 134.2(4) . . ?
C17 O12 Eu2 145.8(5) . . ?
Eu2 O13 Eu2 102.51(16) 1_565 5_565 ?
C18 O13 Eu2 90.2(4) . 5_565 ?
C18 O13 Eu2 157.1(4) . 1_565 ?
C18 O14 Eu2 94.8(4) . 5_565 ?
C12 C11 C16 119.5(6) . . ?
C12 C11 C17 121.4(6) . . ?
C16 C11 C17 118.9(6) . . ?
C11 C12 H12A 120.0 . . ?
C11 C12 C13 120.1(7) . . ?
C13 C12 H12A 120.0 . . ?
C12 C13 H13A 119.7 . . ?
C14 C13 C12 120.6(7) . . ?
C14 C13 H13A 119.7 . . ?
C13 C14 C15 119.0(6) . . ?
C13 C14 C18 122.2(6) . . ?
C15 C14 C18 118.4(6) . . ?
C14 C15 H15A 119.8 . . ?
C16 C15 C14 120.4(6) . . ?
C16 C15 H15A 119.8 . . ?
C11 C16 H16A 119.9 . . ?
C15 C16 C11 120.2(6) . . ?
C15 C16 H16A 119.9 . . ?
O11 C17 C11 118.6(6) . . ?
O12 C17 O11 124.2(6) . . ?
O12 C17 C11 117.2(6) . . ?
O13 C18 Eu2 63.4(3) . 5_565 ?
O13 C18 C14 119.1(6) . . ?
O14 C18 Eu2 59.8(3) . 5_565 ?
O14 C18 O13 121.1(6) . . ?
O14 C18 C14 119.6(6) . . ?
C14 C18 Eu2 160.5(4) . 5_565 ?
C27 O21 Eu1 148.0(5) . . ?
C27 O22 Eu2 129.6(4) . . ?
C28 O23 Eu1 134.9(5) . 4_545 ?
C28 O24 Eu1 144.3(5) . 3_545 ?
C22 C21 C27 120.6(6) . . ?
C26 C21 C22 119.6(6) . . ?
C26 C21 C27 119.7(6) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 C21 120.0(7) . . ?
C23 C22 H22A 120.0 . . ?
C22 C23 H23A 119.8 . . ?
C24 C23 C22 120.3(6) . . ?
C24 C23 H23A 119.8 . . ?
C23 C24 C25 119.6(6) . . ?
C23 C24 C28 121.1(6) . . ?
C25 C24 C28 119.2(6) . . ?
C24 C25 H25A 119.9 . . ?
C26 C25 C24 120.1(6) . . ?
C26 C25 H25A 119.9 . . ?
C21 C26 C25 120.2(7) . . ?
C21 C26 H26A 119.9 . . ?
C25 C26 H26A 119.9 . . ?
O21 C27 O22 124.9(6) . . ?
O21 C27 C21 117.7(6) . . ?
O22 C27 C21 117.3(6) . . ?
O23 C28 O24 124.8(6) . . ?
O23 C28 C24 117.9(6) . . ?
O24 C28 C24 117.3(6) . . ?
C35 O31 Eu1 142.7(6) . . ?
C36 O32 Eu1 142.2(5) . 1_565 ?
C32 C31 C32 120.3(9) . 2 ?
C32 C31 C35 119.9(5) . . ?
C32 C31 C35 119.9(5) 2 . ?
C31 C32 H32A 120.0 . . ?
C31 C32 C33 120.0(7) . . ?
C33 C32 H32A 120.0 . . ?
C32 C33 H33A 120.1 . . ?
C34 C33 C32 119.7(7) . . ?
C34 C33 H33A 120.1 . . ?
C33 C34 C33 120.2(9) . 2 ?
C33 C34 C36 119.9(5) 2 . ?
C33 C34 C36 119.9(5) . . ?
O31 C35 O31 126.1(10) . 2 ?
O31 C35 C31 116.9(5) 2 . ?
O31 C35 C31 116.9(5) . . ?
O32 C36 O32 126.8(10) . 2 ?
O32 C36 C34 116.6(5) 2 . ?
O32 C36 C34 116.6(5) . . ?
C44 O41 Eu2 136.2(4) . . ?
C44 O42 Eu2 133.5(4) . 5 ?
C42 C41 C44 119.2(6) . . ?
C43 C41 C42 120.3(6) . . ?
C43 C41 C44 120.5(6) . . ?
C41 C42 H42A 120.5 . . ?
C43 C42 C41 118.9(6) 7_445 . ?
C43 C42 H42A 120.5 7_445 . ?
C41 C43 C42 120.8(6) . 7_445 ?
C41 C43 H43A 119.6 . . ?
C42 C43 H43A 119.6 7_445 . ?
O41 C44 O42 125.7(6) . . ?
O41 C44 C41 117.1(6) . . ?
O42 C44 C41 117.2(6) . . ?
C1 N1 C2 108.4(9) . . ?
C1 N1 C4 126.2(8) . . ?
C2 N1 C4 125.3(10) . . ?
C1 N2 C3 107.4(9) . . ?
C1 N2 C5 125.3(9) . . ?
C3 N2 C5 127.3(9) . . ?
N1 C1 H1A 125.4 . . ?
N2 C1 N1 109.2(8) . . ?
N2 C1 H1A 125.4 . . ?
N1 C2 H2A 126.4 . . ?
C3 C2 N1 107.1(10) . . ?
C3 C2 H2A 126.4 . . ?
N2 C3 H3A 126.1 . . ?
C2 C3 N2 107.8(9) . . ?
C2 C3 H3A 126.1 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 H5A 108.9 . . ?
N2 C5 H5B 108.9 . . ?
N2 C5 C6 113.2(9) . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 H5A 108.9 . . ?
C6 C5 H5B 108.9 . . ?
C5 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
C5 C6 C7 113.1(9) . . ?
H6A C6 H6B 107.8 . . ?
C7 C6 H6A 109.0 . . ?
C7 C6 H6B 109.0 . . ?
C6 C7 H7A 108.9 . . ?
C6 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C8 C7 C6 113.5(10) . . ?
C8 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?

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 Eu1 Cl1 Eu2 -160.89(3) 2 . . . ?
Eu1 Eu1 O11 C17 170.2(5) 2 . . . ?
Eu1 Eu1 O21 C27 93.8(8) 2 . . . ?
Eu1 Eu1 O31 C35 18.7(7) 2 . . . ?
Eu1 O11 C17 O12 0.8(11) . . . . ?
Eu1 O11 C17 C11 179.3(4) . . . . ?
Eu1 O21 C27 O22 62.9(11) . . . . ?
Eu1 O21 C27 C21 -121.3(7) . . . . ?
Eu1 O23 C28 O24 14.2(12) 4_545 . . . ?
Eu1 O23 C28 C24 -164.6(5) 4_545 . . . ?
Eu1 O24 C28 O23 -56.4(12) 3_545 . . . ?
Eu1 O24 C28 C24 122.5(7) 3_545 . . . ?
Eu1 O31 C35 O31 -15.3(5) . . . 2 ?
Eu1 O31 C35 C31 164.7(5) . . . . ?
Eu1 O32 C36 O32 -17.3(5) 1_565 . . 2 ?
Eu1 O32 C36 C34 162.7(5) 1_565 . . . ?
Eu2 Eu2 Cl1 Eu1 177.12(2) 5 . . . ?
Eu2 Eu2 O12 C17 126.5(7) 5 . . . ?
Eu2 Eu2 O22 C27 155.9(5) 5 . . . ?
Eu2 Eu2 O41 C44 5.5(6) 5 . . . ?
Eu2 O12 C17 O11 62.3(11) . . . . ?
Eu2 O12 C17 C11 -116.2(7) . . . . ?
Eu2 O13 C18 Eu2 -124.3(10) 1_565 . . 5_565 ?
Eu2 O13 C18 O14 -108.1(11) 1_565 . . . ?
Eu2 O13 C18 O14 16.2(6) 5_565 . . . ?
Eu2 O13 C18 C14 -158.1(5) 5_565 . . . ?
Eu2 O13 C18 C14 77.6(12) 1_565 . . . ?
Eu2 O14 C18 O13 -16.7(6) 5_565 . . . ?
Eu2 O14 C18 C14 157.5(5) 5_565 . . . ?
Eu2 O22 C27 O21 13.0(10) . . . . ?
Eu2 O22 C27 C21 -162.7(4) . . . . ?
Eu2 O41 C44 O42 -25.0(11) . . . . ?
Eu2 O41 C44 C41 155.6(5) . . . . ?
Eu2 O42 C44 O41 38.5(11) 5 . . . ?
Eu2 O42 C44 C41 -142.2(5) 5 . . . ?
Cl1 Eu1 O11 C17 -49.7(6) . . . . ?
Cl1 Eu1 O21 C27 -38.4(8) . . . . ?
Cl1 Eu1 O31 C35 138.8(7) . . . . ?
Cl1 Eu2 O12 C17 -29.6(8) . . . . ?
Cl1 Eu2 O22 C27 -57.5(5) . . . . ?
Cl1 Eu2 O41 C44 -176.8(7) . . . . ?
O11 Eu1 Cl1 Eu2 54.56(13) . . . . ?
O11 Eu1 O21 C27 -121.3(8) . . . . ?
O11 Eu1 O31 C35 -153.4(8) . . . . ?
O12 Eu2 Cl1 Eu1 -35.57(13) . . . . ?
O12 Eu2 O22 C27 24.6(6) . . . . ?
O12 Eu2 O41 C44 131.0(6) . . . . ?
O13 Eu2 Cl1 Eu1 124.79(14) 1_545 . . . ?
O13 Eu2 Cl1 Eu1 -128.47(14) 5_565 . . . ?
O13 Eu2 O12 C17 -179.9(7) 1_545 . . . ?
O13 Eu2 O12 C17 101.6(8) 5_565 . . . ?
O13 Eu2 O22 C27 126.3(5) 5_565 . . . ?
O13 Eu2 O22 C27 173.6(6) 1_545 . . . ?
O13 Eu2 O41 C44 -37.3(7) 1_545 . . . ?
O13 Eu2 O41 C44 43.4(7) 5_565 . . . ?
O14 Eu2 Cl1 Eu1 -109.37(13) 5_565 . . . ?
O14 Eu2 O12 C17 55.9(8) 5_565 . . . ?
O14 Eu2 O22 C27 -7.1(9) 5_565 . . . ?
O14 Eu2 O41 C44 96.1(7) 5_565 . . . ?
C11 C12 C13 C14 -4.0(13) . . . . ?
C12 C11 C16 C15 -0.9(11) . . . . ?
C12 C11 C17 O11 -10.0(10) . . . . ?
C12 C11 C17 O12 168.6(7) . . . . ?
C12 C13 C14 C15 1.4(12) . . . . ?
C12 C13 C14 C18 174.2(7) . . . . ?
C13 C14 C15 C16 1.5(11) . . . . ?
C13 C14 C18 Eu2 -95.6(15) . . . 5_565 ?
C13 C14 C18 O13 -3.8(10) . . . . ?
C13 C14 C18 O14 -178.1(7) . . . . ?
C14 C15 C16 C11 -1.7(11) . . . . ?
C15 C14 C18 Eu2 77.2(15) . . . 5_565 ?
C15 C14 C18 O13 169.1(6) . . . . ?
C15 C14 C18 O14 -5.2(9) . . . . ?
C16 C11 C12 C13 3.7(12) . . . . ?
C16 C11 C17 O11 173.3(6) . . . . ?
C16 C11 C17 O12 -8.1(9) . . . . ?
C17 C11 C12 C13 -173.0(7) . . . . ?
C17 C11 C16 C15 175.9(6) . . . . ?
C18 Eu2 Cl1 Eu1 -113.51(14) 5_565 . . . ?
C18 Eu2 O12 C17 80.6(8) 5_565 . . . ?
C18 Eu2 O22 C27 78.3(9) 5_565 . . . ?
C18 Eu2 O41 C44 70.4(7) 5_565 . . . ?
C18 C14 C15 C16 -171.6(6) . . . . ?
O21 Eu1 Cl1 Eu2 -30.98(14) . . . . ?
O21 Eu1 O11 C17 31.2(6) . . . . ?
O21 Eu1 O31 C35 -96.2(8) . . . . ?
O22 Eu2 Cl1 Eu1 54.47(14) . . . . ?
O22 Eu2 O12 C17 -112.8(8) . . . . ?
O22 Eu2 O41 C44 -102.8(7) . . . . ?
O23 Eu1 Cl1 Eu2 -33.3(4) 4 . . . ?
O23 Eu1 O11 C17 108.1(6) 4 . . . ?
O23 Eu1 O21 C27 140.7(8) 4 . . . ?
O23 Eu1 O31 C35 -51.8(7) 4 . . . ?
O24 Eu1 Cl1 Eu2 175.94(15) 3_455 . . . ?
O24 Eu1 O11 C17 -119.3(6) 3_455 . . . ?
O24 Eu1 O21 C27 10.5(10) 3_455 . . . ?
O24 Eu1 O31 C35 80.1(7) 3_455 . . . ?
C21 C22 C23 C24 3.4(11) . . . . ?
C22 C21 C26 C25 2.5(12) . . . . ?
C22 C21 C27 O21 -168.5(7) . . . . ?
C22 C21 C27 O22 7.6(10) . . . . ?
C22 C23 C24 C25 0.1(11) . . . . ?
C22 C23 C24 C28 -176.4(7) . . . . ?
C23 C24 C25 C26 -2.2(12) . . . . ?
C23 C24 C28 O23 -158.6(7) . . . . ?
C23 C24 C28 O24 22.4(10) . . . . ?
C24 C25 C26 C21 0.9(12) . . . . ?
C25 C24 C28 O23 24.9(10) . . . . ?
C25 C24 C28 O24 -154.1(7) . . . . ?
C26 C21 C22 C23 -4.7(11) . . . . ?
C26 C21 C27 O21 7.4(10) . . . . ?
C26 C21 C27 O22 -176.5(7) . . . . ?
C27 C21 C22 C23 171.3(7) . . . . ?
C27 C21 C26 C25 -173.4(7) . . . . ?
C28 C24 C25 C26 174.3(7) . . . . ?
O31 Eu1 Cl1 Eu2 118.43(19) . . . . ?
O31 Eu1 O11 C17 -179.9(7) . . . . ?
O31 Eu1 O21 C27 -175.5(7) . . . . ?
O32 Eu1 Cl1 Eu2 -106.78(15) 1_545 . . . ?
O32 Eu1 O11 C17 22.1(10) 1_545 . . . ?
O32 Eu1 O21 C27 55.5(8) 1_545 . . . ?
O32 Eu1 O31 C35 17.9(9) 1_545 . . . ?
C31 C32 C33 C34 -1.2(12) . . . . ?
C32 C31 C32 C33 0.6(6) 2 . . . ?
C32 C31 C35 O31 -29.8(5) 2 . . 2 ?
C32 C31 C35 O31 -29.8(5) . . . . ?
C32 C31 C35 O31 150.2(5) . . . 2 ?
C32 C31 C35 O31 150.2(5) 2 . . . ?
C32 C33 C34 C33 0.6(6) . . . 2 ?
C32 C33 C34 C36 -179.4(6) . . . . ?
C33 C34 C36 O32 -170.7(5) . . . 2 ?
C33 C34 C36 O32 9.3(5) 2 . . 2 ?
C33 C34 C36 O32 9.3(5) . . . . ?
C33 C34 C36 O32 -170.7(5) 2 . . . ?
C35 C31 C32 C33 -179.4(6) . . . . ?
O41 Eu2 Cl1 Eu1 173.37(15) . . . . ?
O41 Eu2 O12 C17 20.4(9) . . . . ?
O41 Eu2 O22 C27 -126.1(5) . . . . ?
O42 Eu2 Cl1 Eu1 1.0(3) 5 . . . ?
O42 Eu2 O12 C17 169.4(8) 5 . . . ?
O42 Eu2 O22 C27 97.1(6) 5 . . . ?
O42 Eu2 O41 C44 -2.8(8) 5 . . . ?
C42 C41 C43 C42 -0.1(12) . . . 7_445 ?
C42 C41 C44 O41 9.5(10) . . . . ?
C42 C41 C44 O42 -169.9(7) . . . . ?
C43 C41 C42 C43 0.1(12) . . . 7_445 ?
C43 C41 C44 O41 -169.2(7) . . . . ?
C43 C41 C44 O42 11.4(10) . . . . ?
C44 C41 C42 C43 -178.6(6) . . . 7_445 ?
C44 C41 C43 C42 178.6(6) . . . 7_445 ?
N1 C2 C3 N2 -0.5(12) . . . . ?
N2 C5 C6 C7 -173.7(9) . . . . ?
C1 N1 C2 C3 0.6(12) . . . . ?
C1 N2 C3 C2 0.2(12) . . . . ?
C1 N2 C5 C6 106.2(11) . . . . ?
C2 N1 C1 N2 -0.5(11) . . . . ?
C3 N2 C1 N1 0.2(10) . . . . ?
C3 N2 C5 C6 -72.7(14) . . . . ?
C4 N1 C1 N2 -177.6(10) . . . . ?
C4 N1 C2 C3 177.8(10) . . . . ?
C5 N2 C1 N1 -178.9(8) . . . . ?
C5 N2 C3 C2 179.3(9) . . . . ?
C5 C6 C7 C8 68.0(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
