# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_20161210-eu-mof
_database_code_depnum_ccdc_archive 'CCDC 1553562'
_audit_update_record             
;
2017-06-01 deposited with the CCDC.
2017-07-24 downloaded from the CCDC.
;
_audit_creation_date             2017-03-28
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.02.06 svn.r3384 for OlexSys, GUI svn.r5312)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C264 H288 Eu8 N72 Na4 O72), 1(O)'
_chemical_formula_sum            'C66 H72 Eu2 N18 Na O19'
_chemical_formula_weight         1748.32
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_space_group_name_Hall           '-P 2ac 2ab 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
'-z, -x, -y'
'-z-1/2, x-1/2, y'
'z-1/2, x, -y-1/2'
'z, -x-1/2, y-1/2'
'-y, -z, -x'
'y, -z-1/2, x-1/2'
'-y-1/2, z-1/2, x'
'y-1/2, z, -x-1/2'

_cell_length_a                   19.4641(2)
_cell_length_b                   19.4641(2)
_cell_length_c                   19.4641(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7374.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20126
_cell_measurement_temperature    120.01(10)
_cell_measurement_theta_max      27.7240
_cell_measurement_theta_min      3.8980
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.773
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41r (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3532
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            55923
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.326
_diffrn_reflns_theta_min         3.472
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -45.00   3.00   1.00   14.19    --  -12.53 -57.00  30.00   48
  2  ω      1.00  69.00   1.00   14.19    --   13.47  38.00 -90.00   68
  3  ω     50.00  77.00   1.00   14.19    --   13.47  57.00 -90.00   27
  4  ω    -34.00  53.00   1.00   14.19    --  -12.53  77.00 120.00   87
  5  ω    -19.00  23.00   1.00   14.19    --  -12.53 -99.00-120.00   42
  6  ω    -80.00  -3.00   1.00   14.19    --  -12.53 -77.00   0.00   77
  7  ω    -74.00 -35.00   1.00   14.19    --  -12.53-178.00 150.00   39
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0275236000
_diffrn_orient_matrix_UB_12      0.0179427000
_diffrn_orient_matrix_UB_13      -0.0158200000
_diffrn_orient_matrix_UB_21      0.0212072000
_diffrn_orient_matrix_UB_22      -0.0072059000
_diffrn_orient_matrix_UB_23      0.0287350000
_diffrn_orient_matrix_UB_31      0.0110119000
_diffrn_orient_matrix_UB_32      -0.0308871000
_diffrn_orient_matrix_UB_33      -0.0158606000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2157
_reflns_number_total             2499
_reflns_odcompleteness_completeness 99.57
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.66
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.135
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2499
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0399
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+32.7011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.0997
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C9 \\sim C9A \\sim C11 \\sim C10 \\sim C10A \\sim C11A: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C9 \\sim C9A \\sim C11A \\sim C10 \\sim C10A \\sim C11: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C10 \\sim C9 \\sim C9A \\sim C10A: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(N3) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(C10) = Uanis(C10A)
Uanis(C11) = Uanis(C11A)
3. Others
 Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(H10d)=Sof(H10e)=Sof(H10f)=Sof(C11A)=Sof(H11d)=
 Sof(H11e)=Sof(H11f)=1-FVAR(1)
 Sof(C11)=Sof(H11a)=Sof(H11b)=Sof(H11c)=Sof(C9)=Sof(H9)=Sof(C10)=Sof(H10a)=
 Sof(H10b)=Sof(H10c)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C7(H7), N1(H1), C5(H5), C3(H3), C4(H4), C9(H9), C9A(H9A)
4.b Idealised Me refined as rotating group:
 C11(H11a,H11b,H11c), C10(H10a,H10b,H10c), C10A(H10d,H10e,H10f), C11A(H11d,
 H11e,H11f)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.60483(2) 0.60483(2) 0.60483(2) 0.02031(13) Uani 1 3 d S T P . .
O2 O 0.52195(14) 0.62132(14) 0.51145(14) 0.0230(6) Uani 1 1 d . . . . .
O1 O 0.62556(15) 0.66233(16) 0.49119(16) 0.0313(7) Uani 1 1 d . . . . .
O3 O 0.72329(18) 0.6295(2) 0.6001(2) 0.0561(11) Uani 1 1 d . . . . .
C1 C 0.5637(2) 0.65478(19) 0.4742(2) 0.0208(8) Uani 1 1 d . . . . .
N2 N 0.3760(2) 0.7217(2) 0.1937(2) 0.0379(10) Uani 1 1 d . . . . .
C7 C 0.4808(2) 0.6567(2) 0.3771(2) 0.0237(9) Uani 1 1 d . . . . .
H7 H 0.4588 0.6193 0.3971 0.028 Uiso 1 1 calc R . . . .
N1 N 0.3982(2) 0.6506(2) 0.2875(2) 0.0380(10) Uani 1 1 d . . . . .
H1 H 0.3857 0.6139 0.3086 0.046 Uiso 1 1 calc R . . . .
C2 C 0.5384(2) 0.6852(2) 0.4086(2) 0.0225(8) Uani 1 1 d . . . . .
C6 C 0.4559(2) 0.6841(2) 0.3160(2) 0.0276(9) Uani 1 1 d . . . . .
C5 C 0.4874(2) 0.7422(3) 0.2878(2) 0.0356(11) Uani 1 1 d . . . . .
H5 H 0.4700 0.7622 0.2480 0.043 Uiso 1 1 calc R . . . .
C3 C 0.5710(2) 0.7412(2) 0.3793(3) 0.0367(11) Uani 1 1 d . . . . .
H3 H 0.6101 0.7597 0.3995 0.044 Uiso 1 1 calc R . . . .
C8 C 0.3595(2) 0.6671(2) 0.2320(2) 0.0340(11) Uani 1 1 d . . . . .
C4 C 0.5447(3) 0.7694(3) 0.3196(3) 0.0459(14) Uani 1 1 d . . . . .
H4 H 0.5661 0.8077 0.3005 0.055 Uiso 1 1 calc R . . . .
Na1 Na 0.5000 0.5000 0.5000 0.0252(8) Uani 1 6 d S T P . .
N3 N 0.8292(3) 0.6481(4) 0.5671(4) 0.098(2) Uani 1 1 d . U . . .
C11 C 0.8221(11) 0.7104(10) 0.6389(10) 0.126(5) Uani 0.570(11) 1 d . U . A 1
H11A H 0.8206 0.7563 0.6208 0.189 Uiso 0.570(11) 1 calc GR . . A 1
H11B H 0.8612 0.7058 0.6687 0.189 Uiso 0.570(11) 1 calc GR . . A 1
H11C H 0.7809 0.7015 0.6645 0.189 Uiso 0.570(11) 1 calc GR . . A 1
C9 C 0.7737(6) 0.6276(6) 0.5614(6) 0.050(3) Uani 0.570(11) 1 d . U . A 1
H9 H 0.7654 0.6056 0.5198 0.060 Uiso 0.570(11) 1 calc R . . A 1
C10 C 0.8930(11) 0.6686(12) 0.5473(13) 0.115(6) Uani 0.570(11) 1 d . U . A 1
H10A H 0.8962 0.7178 0.5504 0.172 Uiso 0.570(11) 1 calc GR . . A 1
H10B H 0.9012 0.6544 0.5008 0.172 Uiso 0.570(11) 1 calc GR . . A 1
H10C H 0.9268 0.6482 0.5769 0.172 Uiso 0.570(11) 1 calc GR . . A 1
C9A C 0.7777(8) 0.6611(8) 0.6018(8) 0.052(4) Uani 0.430(11) 1 d . U . A 2
H9A H 0.7805 0.6982 0.6318 0.063 Uiso 0.430(11) 1 calc R . . A 2
C10A C 0.8845(16) 0.6919(16) 0.5772(18) 0.115(6) Uani 0.430(11) 1 d . U . A 2
H10D H 0.8719 0.7270 0.6095 0.172 Uiso 0.430(11) 1 calc GR . . A 2
H10E H 0.8970 0.7128 0.5343 0.172 Uiso 0.430(11) 1 calc GR . . A 2
H10F H 0.9228 0.6663 0.5948 0.172 Uiso 0.430(11) 1 calc GR . . A 2
C11A C 0.8241(15) 0.5815(13) 0.5218(14) 0.126(5) Uani 0.430(11) 1 d . U . A 2
H11D H 0.8446 0.5436 0.5459 0.189 Uiso 0.430(11) 1 calc GR . . A 2
H11E H 0.8478 0.5887 0.4792 0.189 Uiso 0.430(11) 1 calc GR . . A 2
H11F H 0.7767 0.5714 0.5127 0.189 Uiso 0.430(11) 1 calc GR . . A 2
O4 O 1.0000 0.5000 0.5000 0.210(12) Uani 1 6 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O2 2.451(3) 9 ?
Eu1 O2 2.451(3) 5 ?
Eu1 O2 2.451(3) . ?
Eu1 O1 2.512(3) 9 ?
Eu1 O1 2.512(3) 5 ?
Eu1 O1 2.512(3) . ?
Eu1 O3 2.357(3) 9 ?
Eu1 O3 2.357(3) 5 ?
Eu1 O3 2.357(3) . ?
Eu1 C1 2.838(4) 9 ?
Eu1 C1 2.838(4) 5 ?
Eu1 C1 2.838(4) . ?
O2 C1 1.269(5) . ?
O2 Na1 2.410(3) . ?
O1 C1 1.257(5) . ?
O3 C9 1.238(11) . ?
O3 C9A 1.226(17) . ?
C1 C2 1.490(5) . ?
N2 C8 1.336(6) . ?
N2 C8 1.348(6) 10_655 ?
C7 H7 0.9300 . ?
C7 C2 1.393(6) . ?
C7 C6 1.390(6) . ?
N1 H1 0.8600 . ?
N1 C6 1.412(5) . ?
N1 C8 1.356(6) . ?
C2 C3 1.386(6) . ?
C6 C5 1.398(6) . ?
C5 H5 0.9300 . ?
C5 C4 1.382(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(7) . ?
C8 N2 1.348(6) 7_564 ?
C4 H4 0.9300 . ?
Na1 Eu1 3.5340(3) 13_666 ?
Na1 O2 2.410(3) 9 ?
Na1 O2 2.410(3) 13_666 ?
Na1 O2 2.410(3) 21_666 ?
Na1 O2 2.410(3) 5 ?
Na1 O2 2.410(3) 17_666 ?
N3 C11 1.86(2) . ?
N3 C9 1.156(13) . ?
N3 C10 1.36(2) . ?
N3 C9A 1.235(16) . ?
N3 C10A 1.39(3) . ?
N3 C11A 1.57(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C9 H9 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C9A H9A 0.9300 . ?
C10A H10D 0.9600 . ?
C10A H10E 0.9600 . ?
C10A H10F 0.9600 . ?
C11A H11D 0.9600 . ?
C11A H11E 0.9600 . ?
C11A H11F 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
O2 Eu1 O2 72.26(10) 9 5 ?
O2 Eu1 O2 72.26(10) 9 . ?
O2 Eu1 O2 72.26(10) 5 . ?
O2 Eu1 O1 52.73(9) 9 9 ?
O2 Eu1 O1 74.32(10) . 5 ?
O2 Eu1 O1 121.85(10) . 9 ?
O2 Eu1 O1 74.32(10) 5 9 ?
O2 Eu1 O1 74.32(10) 9 . ?
O2 Eu1 O1 52.73(9) 5 5 ?
O2 Eu1 O1 121.85(10) 5 . ?
O2 Eu1 O1 52.73(9) . . ?
O2 Eu1 O1 121.85(10) 9 5 ?
O2 Eu1 C1 72.61(10) 9 . ?
O2 Eu1 C1 26.50(10) 5 5 ?
O2 Eu1 C1 97.68(10) 5 . ?
O2 Eu1 C1 26.50(10) 9 9 ?
O2 Eu1 C1 72.61(10) . 5 ?
O2 Eu1 C1 72.61(10) 5 9 ?
O2 Eu1 C1 97.68(10) . 9 ?
O2 Eu1 C1 97.68(10) 9 5 ?
O2 Eu1 C1 26.50(10) . . ?
O1 Eu1 O1 117.54(4) . 9 ?
O1 Eu1 O1 117.54(4) . 5 ?
O1 Eu1 O1 117.54(4) 9 5 ?
O1 Eu1 C1 26.29(10) 9 9 ?
O1 Eu1 C1 26.29(10) 5 5 ?
O1 Eu1 C1 124.84(10) . 5 ?
O1 Eu1 C1 124.84(10) 5 9 ?
O1 Eu1 C1 124.84(10) 9 . ?
O1 Eu1 C1 95.51(11) 9 5 ?
O1 Eu1 C1 95.50(11) 5 . ?
O1 Eu1 C1 95.51(11) . 9 ?
O1 Eu1 C1 26.29(10) . . ?
O3 Eu1 O2 89.83(14) 5 . ?
O3 Eu1 O2 126.01(11) 9 9 ?
O3 Eu1 O2 126.01(11) . . ?
O3 Eu1 O2 89.83(14) . 9 ?
O3 Eu1 O2 149.82(12) 5 9 ?
O3 Eu1 O2 89.82(14) 9 5 ?
O3 Eu1 O2 126.01(11) 5 5 ?
O3 Eu1 O2 149.82(12) . 5 ?
O3 Eu1 O2 149.82(12) 9 . ?
O3 Eu1 O1 147.82(14) 5 9 ?
O3 Eu1 O1 147.82(14) 9 . ?
O3 Eu1 O1 75.51(13) . 9 ?
O3 Eu1 O1 73.59(11) . . ?
O3 Eu1 O1 75.50(13) 9 5 ?
O3 Eu1 O1 73.59(11) 9 9 ?
O3 Eu1 O1 147.82(14) . 5 ?
O3 Eu1 O1 73.59(11) 5 5 ?
O3 Eu1 O1 75.50(13) 5 . ?
O3 Eu1 O3 81.22(18) 9 . ?
O3 Eu1 O3 81.22(18) 9 5 ?
O3 Eu1 O3 81.22(18) 5 . ?
O3 Eu1 C1 161.37(12) . 5 ?
O3 Eu1 C1 80.58(14) . 9 ?
O3 Eu1 C1 99.84(12) . . ?
O3 Eu1 C1 161.37(12) 9 . ?
O3 Eu1 C1 99.84(12) 5 5 ?
O3 Eu1 C1 80.57(14) 5 . ?
O3 Eu1 C1 99.84(12) 9 9 ?
O3 Eu1 C1 161.37(12) 5 9 ?
O3 Eu1 C1 80.58(14) 9 5 ?
C1 Eu1 C1 98.68(10) . 5 ?
C1 Eu1 C1 98.68(10) 9 5 ?
C1 Eu1 C1 98.68(10) . 9 ?
C1 O2 Eu1 94.0(2) . . ?
C1 O2 Na1 124.3(2) . . ?
Na1 O2 Eu1 93.26(9) . . ?
C1 O1 Eu1 91.5(2) . . ?
C9 O3 Eu1 142.5(7) . . ?
C9A O3 Eu1 161.2(8) . . ?
O2 C1 Eu1 59.5(2) . . ?
O2 C1 C2 118.8(3) . . ?
O1 C1 Eu1 62.2(2) . . ?
O1 C1 O2 121.5(4) . . ?
O1 C1 C2 119.7(3) . . ?
C2 C1 Eu1 175.2(3) . . ?
C8 N2 C8 113.3(4) . 10_655 ?
C2 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C6 C7 C2 120.3(4) . . ?
C6 N1 H1 114.9 . . ?
C8 N1 H1 114.9 . . ?
C8 N1 C6 130.3(4) . . ?
C7 C2 C1 119.0(4) . . ?
C3 C2 C1 121.0(4) . . ?
C3 C2 C7 120.0(4) . . ?
C7 C6 N1 115.9(4) . . ?
C7 C6 C5 119.6(4) . . ?
C5 C6 N1 124.5(4) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 C6 119.2(4) . . ?
C4 C5 H5 120.4 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.3(4) . . ?
C4 C3 H3 120.3 . . ?
N2 C8 N2 126.7(4) . 7_564 ?
N2 C8 N1 119.9(4) . . ?
N2 C8 N1 113.4(4) 7_564 . ?
C5 C4 C3 121.5(4) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
Eu1 Na1 Eu1 180.0 13_666 . ?
O2 Na1 Eu1 43.83(6) 21_666 13_666 ?
O2 Na1 Eu1 136.17(6) 9 13_666 ?
O2 Na1 Eu1 136.17(6) 21_666 . ?
O2 Na1 Eu1 43.83(6) 17_666 13_666 ?
O2 Na1 Eu1 43.83(6) 13_666 13_666 ?
O2 Na1 Eu1 136.17(6) 5 13_666 ?
O2 Na1 Eu1 43.83(6) . . ?
O2 Na1 Eu1 136.17(6) . 13_666 ?
O2 Na1 Eu1 136.17(6) 17_666 . ?
O2 Na1 Eu1 136.17(6) 13_666 . ?
O2 Na1 Eu1 43.83(6) 5 . ?
O2 Na1 Eu1 43.83(6) 9 . ?
O2 Na1 O2 180.0 17_666 5 ?
O2 Na1 O2 106.30(10) 21_666 5 ?
O2 Na1 O2 73.70(10) . 9 ?
O2 Na1 O2 73.70(10) 17_666 13_666 ?
O2 Na1 O2 73.70(10) 9 5 ?
O2 Na1 O2 106.30(10) 9 17_666 ?
O2 Na1 O2 180.0 . 13_666 ?
O2 Na1 O2 73.70(10) 21_666 13_666 ?
O2 Na1 O2 73.70(10) . 5 ?
O2 Na1 O2 106.30(10) . 21_666 ?
O2 Na1 O2 180.00(3) 21_666 9 ?
O2 Na1 O2 73.70(10) 21_666 17_666 ?
O2 Na1 O2 106.30(10) 9 13_666 ?
O2 Na1 O2 106.30(10) 13_666 5 ?
O2 Na1 O2 106.30(10) . 17_666 ?
C9 N3 C11 103.2(11) . . ?
C9 N3 C10 158.0(15) . . ?
C10 N3 C11 95.0(13) . . ?
C9A N3 C10A 115.1(18) . . ?
C9A N3 C11A 115.2(15) . . ?
C10A N3 C11A 129.6(18) . . ?
N3 C11 H11A 109.5 . . ?
N3 C11 H11B 109.5 . . ?
N3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C9 H9 113.9 . . ?
N3 C9 O3 132.2(13) . . ?
N3 C9 H9 113.9 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O3 C9A N3 125.6(15) . . ?
O3 C9A H9A 117.2 . . ?
N3 C9A H9A 117.2 . . ?
N3 C10A H10D 109.5 . . ?
N3 C10A H10E 109.5 . . ?
N3 C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
N3 C11A H11D 109.5 . . ?
N3 C11A H11E 109.5 . . ?
N3 C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 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 O2 C1 O1 5.5(4) . . . . ?
Eu1 O2 C1 C2 -174.9(3) . . . . ?
Eu1 O1 C1 O2 -5.4(4) . . . . ?
Eu1 O1 C1 C2 175.0(3) . . . . ?
Eu1 O3 C9 N3 172.5(7) . . . . ?
Eu1 O3 C9A N3 -147.8(15) . . . . ?
O2 C1 C2 C7 -23.7(6) . . . . ?
O2 C1 C2 C3 155.7(4) . . . . ?
O1 C1 C2 C7 155.9(4) . . . . ?
O1 C1 C2 C3 -24.7(6) . . . . ?
C1 C2 C3 C4 -177.9(5) . . . . ?
C7 C2 C3 C4 1.6(7) . . . . ?
C7 C6 C5 C4 2.8(7) . . . . ?
N1 C6 C5 C4 -178.4(5) . . . . ?
C2 C7 C6 N1 178.6(4) . . . . ?
C2 C7 C6 C5 -2.6(7) . . . . ?
C2 C3 C4 C5 -1.3(9) . . . . ?
C6 C7 C2 C1 179.8(4) . . . . ?
C6 C7 C2 C3 0.4(7) . . . . ?
C6 N1 C8 N2 -177.6(5) . . . 7_564 ?
C6 N1 C8 N2 2.7(9) . . . . ?
C6 C5 C4 C3 -0.9(9) . . . . ?
C8 N2 C8 N2 0.5(11) 10_655 . . 7_564 ?
C8 N2 C8 N1 -179.7(3) 10_655 . . . ?
C8 N1 C6 C7 174.9(5) . . . . ?
C8 N1 C6 C5 -3.9(8) . . . . ?
Na1 O2 C1 Eu1 -96.7(2) . . . . ?
Na1 O2 C1 O1 -91.2(4) . . . . ?
Na1 O2 C1 C2 88.4(4) . . . . ?
C11 N3 C9 O3 -17.0(15) . . . . ?
C10 N3 C9 O3 -162(3) . . . . ?
C10A N3 C9A O3 179.0(19) . . . . ?
C11A N3 C9A O3 -5(2) . . . . ?


_olex2_date_sample_data_collection 2016-12-10
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.276
_oxdiff_exptl_absorpt_empirical_full_min 0.778
