# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
# 
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data_Eu1I2
_database_code_depnum_ccdc_archive 'CCDC 1826977'
_audit_update_record             
;
2018-03-01 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H48 Eu I2 N8'
_chemical_formula_weight         782.40

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'
I I -0.4742 1.8119 '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           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

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

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

_cell_length_a                   15.770(2)
_cell_length_b                   12.1249(19)
_cell_length_c                   13.749(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2628.9(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    12756
_cell_measurement_theta_min      1.68
_cell_measurement_theta_max      36.32

_exptl_crystal_description       columnar
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.977
_exptl_crystal_F_000             1524
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.755
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            128327
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.680
_diffrn_reflns_theta_max         36.317
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12756
_reflns_number_gt                12570
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.935
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0257P)²+1.3737P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.284(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         12756
_refine_ls_number_parameters     287
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0162
_refine_ls_R_factor_gt           0.0159
_refine_ls_wR_factor_ref         0.0416
_refine_ls_wR_factor_gt          0.0414
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_restrained_S_all      0.928
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.00309(2) 0.24345(2) 0.61736(2) 0.00845(2) Uani 1 1 d . . . . .
I1 I -0.07329(2) -0.03837(2) 0.63356(2) 0.01469(3) Uani 1 1 d . . . . .
I11E I 0.13695(2) 0.47318(2) 0.87646(2) 0.01402(3) Uani 1 1 d . . . . .
N1 N -0.01608(12) 0.46963(15) 0.60231(14) 0.0122(3) Uani 1 1 d . . . . .
N2 N 0.14617(10) 0.36598(15) 0.61461(15) 0.0124(3) Uani 1 1 d . . . . .
N3 N 0.14243(11) 0.15471(17) 0.50402(15) 0.0132(3) Uani 1 1 d . . . . .
N4 N -0.01511(16) 0.25251(17) 0.41648(19) 0.0138(4) Uani 1 1 d . . . . .
N5 N -0.15979(12) 0.20865(17) 0.54095(15) 0.0132(3) Uani 1 1 d . . . . .
N6 N -0.14267(10) 0.34540(16) 0.71616(14) 0.0123(3) Uani 1 1 d . . . . .
N7 N 0.00145(11) 0.2352(2) 0.8166(2) 0.0125(4) Uani 1 1 d . . . . .
N8 N 0.11298(11) 0.09784(16) 0.70693(15) 0.0136(3) Uani 1 1 d . . . . .
C1 C 0.06312(15) 0.53222(19) 0.58868(19) 0.0160(4) Uani 1 1 d . . . . .
H47 H 0.0821 0.5625 0.6519 0.019 Uiso 1 1 calc R U . . .
H46 H 0.0529 0.5947 0.5438 0.019 Uiso 1 1 calc R U . . .
C2 C 0.13133(14) 0.45794(19) 0.54726(17) 0.0142(4) Uani 1 1 d . . . . .
H44 H 0.1132 0.4291 0.4832 0.017 Uiso 1 1 calc R U . . .
H45 H 0.1844 0.5003 0.5381 0.017 Uiso 1 1 calc R U . . .
C3 C 0.22398(13) 0.30363(19) 0.59437(16) 0.0148(4) Uani 1 1 d . . . . .
H42 H 0.2378 0.2573 0.6515 0.018 Uiso 1 1 calc R U . . .
H41 H 0.2714 0.3561 0.5847 0.018 Uiso 1 1 calc R U . . .
C4 C 0.21643(13) 0.2301(2) 0.50487(17) 0.0151(4) Uani 1 1 d . . . . .
H39 H 0.2134 0.2778 0.4465 0.018 Uiso 1 1 calc R U . . .
H40 H 0.2687 0.1853 0.4995 0.018 Uiso 1 1 calc R U . . .
C5 C 0.11430(14) 0.1375(2) 0.40246(17) 0.0167(4) Uani 1 1 d . . . . .
H38 H 0.0788 0.0702 0.3995 0.020 Uiso 1 1 calc R U . . .
H37 H 0.1647 0.1251 0.3609 0.020 Uiso 1 1 calc R U . . .
C6 C 0.06397(15) 0.2343(2) 0.36194(18) 0.0170(4) Uani 1 1 d . . . . .
H36 H 0.0992 0.3018 0.3649 0.020 Uiso 1 1 calc R U . . .
H35 H 0.0502 0.2199 0.2928 0.020 Uiso 1 1 calc R U . . .
C7 C -0.08166(14) 0.1718(2) 0.39007(17) 0.0163(4) Uani 1 1 d . . . . .
H33 H -0.0653 0.0977 0.4137 0.020 Uiso 1 1 calc R U . . .
H32 H -0.0872 0.1684 0.3184 0.020 Uiso 1 1 calc R U . . .
C8 C -0.16572(14) 0.2048(2) 0.43455(17) 0.0159(4) Uani 1 1 d . . . . .
H30 H -0.1826 0.2783 0.4097 0.019 Uiso 1 1 calc R U . . .
H31 H -0.2099 0.1511 0.4152 0.019 Uiso 1 1 calc R U . . .
C9 C -0.23363(14) 0.2611(2) 0.58610(19) 0.0160(4) Uani 1 1 d . . . . .
H27 H -0.2841 0.2137 0.5768 0.019 Uiso 1 1 calc R U . . .
H26 H -0.2447 0.3327 0.5539 0.019 Uiso 1 1 calc R U . . .
C10 C -0.21945(13) 0.2798(2) 0.69407(18) 0.0163(4) Uani 1 1 d . . . . .
H25 H -0.2695 0.3182 0.7213 0.020 Uiso 1 1 calc R U . . .
H24 H -0.2148 0.2074 0.7268 0.020 Uiso 1 1 calc R U . . .
H2N H 0.149(2) 0.388(3) 0.667(3) 0.010(7) Uiso 1 1 d . . . . .
H8M H 0.078(2) 0.053(3) 0.699(3) 0.020(9) Uiso 1 1 d . . . . .
C11 C -0.12833(14) 0.3455(2) 0.82261(16) 0.0150(4) Uani 1 1 d . . . . .
H18 H -0.1836 0.3525 0.8561 0.018 Uiso 1 1 calc R U . . .
H19 H -0.0936 0.4105 0.8401 0.018 Uiso 1 1 calc R U . . .
C12 C -0.08407(14) 0.24192(19) 0.85824(18) 0.0152(4) Uani 1 1 d . . . . .
H17 H -0.0804 0.2432 0.9301 0.018 Uiso 1 1 calc R U . . .
H16 H -0.1173 0.1762 0.8389 0.018 Uiso 1 1 calc R U . . .
H4N H -0.029(2) 0.319(3) 0.404(3) 0.013(8) Uiso 1 1 d . . . . .
C13 C 0.04984(14) 0.1455(2) 0.86232(18) 0.0179(4) Uani 1 1 d . . . . .
H15 H 0.0151 0.0775 0.8628 0.022 Uiso 1 1 calc R U . . .
H14 H 0.0627 0.1654 0.9306 0.022 Uiso 1 1 calc R U . . .
H5N H -0.159(2) 0.150(3) 0.561(3) 0.017(8) Uiso 1 1 d . . . . .
H1N H -0.034(3) 0.469(3) 0.553(3) 0.018(9) Uiso 1 1 d . . . . .
C14 C 0.13200(14) 0.1238(2) 0.80839(17) 0.0161(4) Uani 1 1 d . . . . .
H12 H 0.1689 0.1897 0.8118 0.019 Uiso 1 1 calc R U . . .
H13 H 0.1624 0.0613 0.8389 0.019 Uiso 1 1 calc R U . . .
C15 C 0.18432(14) 0.0497(2) 0.65367(19) 0.0176(4) Uani 1 1 d . . . . .
H10 H 0.1951 -0.0260 0.6776 0.021 Uiso 1 1 calc R U . . .
H9 H 0.2360 0.0942 0.6652 0.021 Uiso 1 1 calc R U . . .
C16 C 0.16500(15) 0.0465(2) 0.5453(2) 0.0172(4) Uani 1 1 d . . . . .
H8 H 0.2152 0.0176 0.5105 0.021 Uiso 1 1 calc R U . . .
H7 H 0.1175 -0.0054 0.5339 0.021 Uiso 1 1 calc R U . . .
C17 C -0.15419(14) 0.46027(19) 0.68281(19) 0.0150(4) Uani 1 1 d . . . . .
H22 H -0.1918 0.4994 0.7291 0.018 Uiso 1 1 calc R U . . .
H23 H -0.1826 0.4597 0.6186 0.018 Uiso 1 1 calc R U . . .
C18 C -0.07153(14) 0.52266(19) 0.67445(18) 0.0148(4) Uani 1 1 d . . . . .
H20 H -0.0830 0.5997 0.6546 0.018 Uiso 1 1 calc R U . . .
H21 H -0.0428 0.5241 0.7385 0.018 Uiso 1 1 calc R U . . .
H7N H 0.031(2) 0.300(3) 0.833(2) 0.012(8) Uiso 1 1 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 N2 2.7019(17) . ?
Eu1 N7 2.741(3) . ?
Eu1 N8 2.7635(19) . ?
Eu1 N1 2.7667(18) . ?
Eu1 N4 2.779(3) . ?
Eu1 N5 2.8070(19) . ?
Eu1 N3 2.9009(19) . ?
Eu1 N6 2.9422(18) . ?
Eu1 I1 3.6299(5) . ?
N1 C18 1.470(3) . ?
N1 C1 1.473(3) . ?
N1 H1N 0.73(4) . ?
N2 C3 1.468(3) . ?
N2 C2 1.468(3) . ?
N2 H2N 0.77(3) . ?
N3 C16 1.473(3) . ?
N3 C5 1.480(3) . ?
N3 C4 1.483(3) . ?
N4 C6 1.472(3) . ?
N4 C7 1.480(3) . ?
N4 H4N 0.86(4) . ?
N5 C9 1.465(3) . ?
N5 C8 1.467(3) . ?
N5 H5N 0.76(4) . ?
N6 C17 1.478(3) . ?
N6 C10 1.480(3) . ?
N6 C11 1.481(3) . ?
N7 C12 1.468(3) . ?
N7 C13 1.470(3) . ?
N7 H7N 0.94(4) . ?
N8 C14 1.461(3) . ?
N8 C15 1.464(3) . ?
N8 H8M 0.77(4) . ?
C1 C2 1.514(3) . ?
C1 H47 0.9900 . ?
C1 H46 0.9900 . ?
C2 H44 0.9900 . ?
C2 H45 0.9900 . ?
C3 C4 1.524(3) . ?
C3 H42 0.9900 . ?
C3 H41 0.9900 . ?
C4 H39 0.9900 . ?
C4 H40 0.9900 . ?
C5 C6 1.523(4) . ?
C5 H38 0.9900 . ?
C5 H37 0.9900 . ?
C6 H36 0.9900 . ?
C6 H35 0.9900 . ?
C7 C8 1.514(3) . ?
C7 H33 0.9900 . ?
C7 H32 0.9900 . ?
C8 H30 0.9900 . ?
C8 H31 0.9900 . ?
C9 C10 1.518(4) . ?
C9 H27 0.9900 . ?
C9 H26 0.9900 . ?
C10 H25 0.9900 . ?
C10 H24 0.9900 . ?
C11 C12 1.518(3) . ?
C11 H18 0.9900 . ?
C11 H19 0.9900 . ?
C12 H17 0.9900 . ?
C12 H16 0.9900 . ?
C13 C14 1.516(3) . ?
C13 H15 0.9900 . ?
C13 H14 0.9900 . ?
C14 H12 0.9900 . ?
C14 H13 0.9900 . ?
C15 C16 1.521(4) . ?
C15 H10 0.9900 . ?
C15 H9 0.9900 . ?
C16 H8 0.9900 . ?
C16 H7 0.9900 . ?
C17 C18 1.512(3) . ?
C17 H22 0.9900 . ?
C17 H23 0.9900 . ?
C18 H20 0.9900 . ?
C18 H21 0.9900 . ?

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
N2 Eu1 N7 92.40(6) . . ?
N2 Eu1 N8 80.43(6) . . ?
N7 Eu1 N8 62.44(6) . . ?
N2 Eu1 N1 62.94(5) . . ?
N7 Eu1 N1 96.31(7) . . ?
N8 Eu1 N1 137.31(6) . . ?
N2 Eu1 N4 92.90(7) . . ?
N7 Eu1 N4 173.53(7) . . ?
N8 Eu1 N4 122.20(6) . . ?
N1 Eu1 N4 82.83(6) . . ?
N2 Eu1 N5 147.31(6) . . ?
N7 Eu1 N5 111.09(6) . . ?
N8 Eu1 N5 130.13(6) . . ?
N1 Eu1 N5 91.21(6) . . ?
N4 Eu1 N5 62.58(7) . . ?
N2 Eu1 N3 64.14(5) . . ?
N7 Eu1 N3 122.03(6) . . ?
N8 Eu1 N3 61.79(6) . . ?
N1 Eu1 N3 114.22(6) . . ?
N4 Eu1 N3 63.83(7) . . ?
N5 Eu1 N3 115.87(6) . . ?
N2 Eu1 N6 115.34(5) . . ?
N7 Eu1 N6 63.04(6) . . ?
N8 Eu1 N6 123.55(6) . . ?
N1 Eu1 N6 62.15(5) . . ?
N4 Eu1 N6 111.20(6) . . ?
N5 Eu1 N6 61.38(6) . . ?
N3 Eu1 N6 174.66(6) . . ?
N2 Eu1 I1 142.71(4) . . ?
N7 Eu1 I1 84.33(5) . . ?
N8 Eu1 I1 65.12(4) . . ?
N1 Eu1 I1 154.34(4) . . ?
N4 Eu1 I1 93.66(4) . . ?
N5 Eu1 I1 65.03(4) . . ?
N3 Eu1 I1 86.28(4) . . ?
N6 Eu1 I1 96.20(4) . . ?
C18 N1 C1 111.39(18) . . ?
C18 N1 Eu1 116.62(13) . . ?
C1 N1 Eu1 115.31(13) . . ?
C18 N1 H1N 113(3) . . ?
C1 N1 H1N 103(3) . . ?
Eu1 N1 H1N 96(3) . . ?
C3 N2 C2 113.88(18) . . ?
C3 N2 Eu1 114.68(13) . . ?
C2 N2 Eu1 107.06(12) . . ?
C3 N2 H2N 108(2) . . ?
C2 N2 H2N 109(3) . . ?
Eu1 N2 H2N 104(2) . . ?
C16 N3 C5 108.08(19) . . ?
C16 N3 C4 110.86(18) . . ?
C5 N3 C4 109.30(18) . . ?
C16 N3 Eu1 107.83(14) . . ?
C5 N3 Eu1 109.39(13) . . ?
C4 N3 Eu1 111.30(13) . . ?
C6 N4 C7 112.1(2) . . ?
C6 N4 Eu1 114.39(16) . . ?
C7 N4 Eu1 106.92(16) . . ?
C6 N4 H4N 105(2) . . ?
C7 N4 H4N 113(2) . . ?
Eu1 N4 H4N 105(2) . . ?
C9 N5 C8 112.68(18) . . ?
C9 N5 Eu1 120.23(14) . . ?
C8 N5 Eu1 115.87(13) . . ?
C9 N5 H5N 106(3) . . ?
C8 N5 H5N 109(3) . . ?
Eu1 N5 H5N 90(3) . . ?
C17 N6 C10 110.00(17) . . ?
C17 N6 C11 108.94(18) . . ?
C10 N6 C11 109.16(18) . . ?
C17 N6 Eu1 110.42(13) . . ?
C10 N6 Eu1 108.59(13) . . ?
C11 N6 Eu1 109.72(12) . . ?
C12 N7 C13 110.6(2) . . ?
C12 N7 Eu1 113.37(15) . . ?
C13 N7 Eu1 116.71(17) . . ?
C12 N7 H7N 108(2) . . ?
C13 N7 H7N 105(2) . . ?
Eu1 N7 H7N 101(2) . . ?
C14 N8 C15 113.93(18) . . ?
C14 N8 Eu1 114.61(14) . . ?
C15 N8 Eu1 120.92(15) . . ?
C14 N8 H8M 116(3) . . ?
C15 N8 H8M 101(3) . . ?
Eu1 N8 H8M 87(3) . . ?
N1 C1 C2 110.10(18) . . ?
N1 C1 H47 109.6 . . ?
C2 C1 H47 109.6 . . ?
N1 C1 H46 109.6 . . ?
C2 C1 H46 109.6 . . ?
H47 C1 H46 108.2 . . ?
N2 C2 C1 109.13(18) . . ?
N2 C2 H44 109.9 . . ?
C1 C2 H44 109.9 . . ?
N2 C2 H45 109.9 . . ?
C1 C2 H45 109.9 . . ?
H44 C2 H45 108.3 . . ?
N2 C3 C4 112.89(17) . . ?
N2 C3 H42 109.0 . . ?
C4 C3 H42 109.0 . . ?
N2 C3 H41 109.0 . . ?
C4 C3 H41 109.0 . . ?
H42 C3 H41 107.8 . . ?
N3 C4 C3 115.37(18) . . ?
N3 C4 H39 108.4 . . ?
C3 C4 H39 108.4 . . ?
N3 C4 H40 108.4 . . ?
C3 C4 H40 108.4 . . ?
H39 C4 H40 107.5 . . ?
N3 C5 C6 113.13(19) . . ?
N3 C5 H38 109.0 . . ?
C6 C5 H38 109.0 . . ?
N3 C5 H37 109.0 . . ?
C6 C5 H37 109.0 . . ?
H38 C5 H37 107.8 . . ?
N4 C6 C5 111.8(2) . . ?
N4 C6 H36 109.3 . . ?
C5 C6 H36 109.3 . . ?
N4 C6 H35 109.3 . . ?
C5 C6 H35 109.3 . . ?
H36 C6 H35 107.9 . . ?
N4 C7 C8 110.3(2) . . ?
N4 C7 H33 109.6 . . ?
C8 C7 H33 109.6 . . ?
N4 C7 H32 109.6 . . ?
C8 C7 H32 109.6 . . ?
H33 C7 H32 108.1 . . ?
N5 C8 C7 110.82(18) . . ?
N5 C8 H30 109.5 . . ?
C7 C8 H30 109.5 . . ?
N5 C8 H31 109.5 . . ?
C7 C8 H31 109.5 . . ?
H30 C8 H31 108.1 . . ?
N5 C9 C10 111.24(19) . . ?
N5 C9 H27 109.4 . . ?
C10 C9 H27 109.4 . . ?
N5 C9 H26 109.4 . . ?
C10 C9 H26 109.4 . . ?
H27 C9 H26 108.0 . . ?
N6 C10 C9 113.67(19) . . ?
N6 C10 H25 108.8 . . ?
C9 C10 H25 108.8 . . ?
N6 C10 H24 108.8 . . ?
C9 C10 H24 108.8 . . ?
H25 C10 H24 107.7 . . ?
N6 C11 C12 112.85(19) . . ?
N6 C11 H18 109.0 . . ?
C12 C11 H18 109.0 . . ?
N6 C11 H19 109.0 . . ?
C12 C11 H19 109.0 . . ?
H18 C11 H19 107.8 . . ?
N7 C12 C11 110.03(19) . . ?
N7 C12 H17 109.7 . . ?
C11 C12 H17 109.7 . . ?
N7 C12 H16 109.7 . . ?
C11 C12 H16 109.7 . . ?
H17 C12 H16 108.2 . . ?
N7 C13 C14 111.29(19) . . ?
N7 C13 H15 109.4 . . ?
C14 C13 H15 109.4 . . ?
N7 C13 H14 109.4 . . ?
C14 C13 H14 109.4 . . ?
H15 C13 H14 108.0 . . ?
N8 C14 C13 109.21(18) . . ?
N8 C14 H12 109.8 . . ?
C13 C14 H12 109.8 . . ?
N8 C14 H13 109.8 . . ?
C13 C14 H13 109.8 . . ?
H12 C14 H13 108.3 . . ?
N8 C15 C16 110.25(18) . . ?
N8 C15 H10 109.6 . . ?
C16 C15 H10 109.6 . . ?
N8 C15 H9 109.6 . . ?
C16 C15 H9 109.6 . . ?
H10 C15 H9 108.1 . . ?
N3 C16 C15 113.8(2) . . ?
N3 C16 H8 108.8 . . ?
C15 C16 H8 108.8 . . ?
N3 C16 H7 108.8 . . ?
C15 C16 H7 108.8 . . ?
H8 C16 H7 107.7 . . ?
N6 C17 C18 112.91(18) . . ?
N6 C17 H22 109.0 . . ?
C18 C17 H22 109.0 . . ?
N6 C17 H23 109.0 . . ?
C18 C17 H23 109.0 . . ?
H22 C17 H23 107.8 . . ?
N1 C18 C17 110.20(19) . . ?
N1 C18 H20 109.6 . . ?
C17 C18 H20 109.6 . . ?
N1 C18 H21 109.6 . . ?
C17 C18 H21 109.6 . . ?
H20 C18 H21 108.1 . . ?

_refine_diff_density_max         1.175
_refine_diff_density_min         -1.066
_refine_diff_density_rms         0.111


_chemical_properties_physical    Air-sensitive,Light-sensitive,Photo-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_Eu2I2
_database_code_depnum_ccdc_archive 'CCDC 1826978'
_audit_update_record             
;
2018-03-01 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;
_audit_creation_date             2018-03-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H54 Eu1 N8, 2(I), 0.33(C3 H9 O3)'
_chemical_formula_sum            'C25 H57 Eu I2 N8 O'
_chemical_formula_weight         891.54
_chemical_absolute_configuration unk
_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'
I I -0.4742 1.8119 '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'

_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           198
_space_group_name_H-M_alt        'P 21 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'

_cell_length_a                   14.9671(10)
_cell_length_b                   14.9671(10)
_cell_length_c                   14.9671(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3352.8(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9196
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.20
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.743
_exptl_absorpt_correction_T_max  0.7489
_exptl_absorpt_correction_T_min  0.5624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0928 before and 0.0531 after correction.
The Ratio of minimum to maximum transmission is 0.7510.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            324195
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         46.133
_diffrn_reflns_theta_min         1.924
_diffrn_ambient_temperature      100.1
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.861
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                8358
_reflns_number_total             9729
_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       'SAINT V8.18C (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.620
_refine_diff_density_min         -2.137
_refine_diff_density_rms         0.129
_refine_ls_abs_structure_details 
;
 Flack x determined using 3565 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.002(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     139
_refine_ls_number_reflns         9729
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0307
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0262P)²+4.8801P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0673
_refine_ls_wR_factor_ref         0.0738
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C00G(0.62) H00M(0.62) H00N(0.62) C0AA(0.33333) H0AA(0.33333)
 H0AB(0.33333) H0AC(0.33333) C00H(0.38) H00O(0.38) H00P(0.38) C1AA(0.62)
 H1AA(0.62) H1AB(0.62) C1AB(0.38) H1AC(0.38) H1AD(0.38)
3.a Secondary CH2 refined with riding coordinates:
 C008(H00A,H00B), C009(H00C,H00D), C00C(H00E,H00F), C00G(H00M,H00N), C3(H3A,
 H3B), C00H(H00O,H00P), C1AA(H1AA,H1AB), C1AB(H1AC,H1AD)
3.b Idealised Me refined as rotating group:
 C00D(H00G,H00H,H00I), C00E(H00J,H00K,H00L), C0AA(H0AA,H0AB,H0AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.49628(2) 0.49628(2) 0.49628(2) 0.01389(3) Uani 1 3 d S T P . .
I002 I 0.20126(2) 0.20126(2) 0.20126(2) 0.02480(6) Uani 1 3 d S T P . .
I003 I 0.62976(2) 0.12976(2) 0.37024(2) 0.02978(7) Uani 1 3 d S T P . .
N005 N 0.6835(2) 0.4702(2) 0.4877(2) 0.0302(5) Uani 1 1 d . . . . .
N006 N 0.61104(17) 0.61104(17) 0.61104(17) 0.0233(7) Uani 1 3 d S T P . .
C008 C 0.7352(2) 0.5439(3) 0.5239(2) 0.0317(7) Uani 1 1 d . . . . .
H00A H 0.7330 0.5945 0.4813 0.038 Uiso 1 1 calc R . . . .
H00B H 0.7983 0.5250 0.5295 0.038 Uiso 1 1 calc R . . . .
C009 C 0.7026(2) 0.5755(3) 0.6133(2) 0.0303(6) Uani 1 1 d . . . . .
H00C H 0.7050 0.5250 0.6560 0.036 Uiso 1 1 calc R . . . .
H00D H 0.7434 0.6226 0.6355 0.036 Uiso 1 1 calc R . . . .
C00C C 0.7179(3) 0.4527(3) 0.3963(3) 0.0375(9) Uani 1 1 d . . . . .
H00E H 0.7759 0.4211 0.4008 0.045 Uiso 1 1 calc R . . . .
H00F H 0.7286 0.5104 0.3658 0.045 Uiso 1 1 calc R . . . .
C00D C 0.5862(5) 0.5172(4) 0.2588(5) 0.067(2) Uani 1 1 d . . . . .
H00G H 0.5318 0.5531 0.2523 0.101 Uiso 1 1 calc GR . . . .
H00H H 0.6023 0.4913 0.2008 0.101 Uiso 1 1 calc GR . . . .
H00I H 0.6350 0.5553 0.2800 0.101 Uiso 1 1 calc GR . . . .
C00E C 0.6964(5) 0.3911(3) 0.5445(4) 0.0542(15) Uani 1 1 d . . . . .
H00J H 0.6676 0.4010 0.6025 0.081 Uiso 1 1 calc GR . . . .
H00K H 0.7604 0.3809 0.5534 0.081 Uiso 1 1 calc GR . . . .
H00L H 0.6697 0.3388 0.5156 0.081 Uiso 1 1 calc GR . . . .
C00G C 0.5217(4) 0.3669(4) 0.2920(4) 0.0295(9) Uani 0.62 1 d . . . A 1
H00M H 0.5368 0.3149 0.3300 0.035 Uiso 0.62 1 calc R . . A 1
H00N H 0.5399 0.3529 0.2299 0.035 Uiso 0.62 1 calc R . . A 1
C3 C 0.6551(4) 0.3980(3) 0.3415(3) 0.0450(11) Uani 1 1 d . . . . .
H3A H 0.6842 0.3826 0.2841 0.054 Uiso 1 1 calc R . . . .
H3B H 0.6420 0.3415 0.3734 0.054 Uiso 1 1 calc R . . . .
N1 N 0.38740(16) 0.38740(16) 0.38740(16) 0.0204(6) Uani 1 3 d S T P . .
O1 O 0.4794(4) 0.9794(4) 0.5206(4) 0.070(2) Uani 1 3 d S T P . .
N3 N 0.5704(2) 0.4454(3) 0.3233(3) 0.0487(11) Uani 1 1 d . . . . .
C0AA C 0.4922(9) 0.9517(6) 0.4415(5) 0.0291(18) Uani 0.3333 1 d . . . . .
H0AA H 0.5527 0.9271 0.4366 0.044 Uiso 0.3333 1 calc GR . . . .
H0AB H 0.4854 1.0016 0.3996 0.044 Uiso 0.3333 1 calc GR . . . .
H0AC H 0.4485 0.9051 0.4273 0.044 Uiso 0.3333 1 calc GR . . . .
C00H C 0.4995(6) 0.4002(5) 0.2614(5) 0.0238(11) Uani 0.38 1 d . . . A 2
H00O H 0.4613 0.4460 0.2326 0.029 Uiso 0.38 1 calc R . . A 2
H00P H 0.5293 0.3647 0.2141 0.029 Uiso 0.38 1 calc R . . A 2
C1AA C 0.4228(4) 0.3828(4) 0.2949(3) 0.0281(9) Uani 0.62 1 d . . . A 1
H1AA H 0.4091 0.4395 0.2637 0.034 Uiso 0.62 1 calc R . . A 1
H1AB H 0.3921 0.3340 0.2625 0.034 Uiso 0.62 1 calc R . . A 1
C1AB C 0.4432(6) 0.3394(5) 0.3218(5) 0.0228(12) Uani 0.38 1 d . . . A 2
H1AC H 0.4038 0.3023 0.2837 0.027 Uiso 0.38 1 calc R . . A 2
H1AD H 0.4837 0.2985 0.3544 0.027 Uiso 0.38 1 calc R . . A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 N005 2.832(3) 9 ?
Eu01 N005 2.832(3) 5 ?
Eu01 N005 2.832(3) . ?
Eu01 N006 2.975(5) . ?
Eu01 N1 2.822(4) . ?
Eu01 N3 2.917(4) 9 ?
Eu01 N3 2.917(4) . ?
Eu01 N3 2.917(4) 5 ?
N005 C008 1.453(6) . ?
N005 C00C 1.484(5) . ?
N005 C00E 1.470(5) . ?
N006 C009 1.471(4) 9 ?
N006 C009 1.471(4) . ?
N006 C009 1.471(4) 5 ?
C008 H00A 0.9900 . ?
C008 H00B 0.9900 . ?
C008 C009 1.501(5) . ?
C009 H00C 0.9900 . ?
C009 H00D 0.9900 . ?
C00C H00E 0.9900 . ?
C00C H00F 0.9900 . ?
C00C C3 1.492(7) . ?
C00D H00G 0.9800 . ?
C00D H00H 0.9800 . ?
C00D H00I 0.9800 . ?
C00D N3 1.464(9) . ?
C00E H00J 0.9800 . ?
C00E H00K 0.9800 . ?
C00E H00L 0.9800 . ?
C00G H00M 0.9900 . ?
C00G H00N 0.9900 . ?
C00G N3 1.461(7) . ?
C00G C1AA 1.500(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 N3 1.479(7) . ?
N1 C1AA 1.484(5) 9 ?
N1 C1AA 1.484(5) 5 ?
N1 C1AA 1.484(5) . ?
N1 C1AB 1.476(8) . ?
N1 C1AB 1.476(8) 5 ?
N1 C1AB 1.476(8) 9 ?
O1 C0AA 1.268(10) 11_466 ?
O1 C0AA 1.268(10) 8_656 ?
O1 C0AA 1.268(10) . ?
N3 C00H 1.564(9) . ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
C00H H00O 0.9900 . ?
C00H H00P 0.9900 . ?
C00H C1AB 1.535(11) . ?
C1AA H1AA 0.9900 . ?
C1AA H1AB 0.9900 . ?
C1AB H1AC 0.9900 . ?
C1AB H1AD 0.9900 . ?

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
N005 Eu01 N005 100.09(9) 9 5 ?
N005 Eu01 N005 100.09(9) 9 . ?
N005 Eu01 N005 100.09(9) 5 . ?
N005 Eu01 N006 62.27(7) 5 . ?
N005 Eu01 N006 62.27(7) . . ?
N005 Eu01 N006 62.27(7) 9 . ?
N005 Eu01 N3 98.79(12) 5 . ?
N005 Eu01 N3 156.72(12) . 5 ?
N005 Eu01 N3 63.10(10) 5 5 ?
N005 Eu01 N3 156.72(12) 5 9 ?
N005 Eu01 N3 98.79(12) 9 5 ?
N005 Eu01 N3 63.10(10) . . ?
N005 Eu01 N3 156.72(12) 9 . ?
N005 Eu01 N3 63.10(10) 9 9 ?
N005 Eu01 N3 98.79(12) . 9 ?
N1 Eu01 N005 117.73(7) . 5 ?
N1 Eu01 N005 117.73(7) . . ?
N1 Eu01 N005 117.73(7) . 9 ?
N1 Eu01 N006 180.00(6) . . ?
N1 Eu01 N3 63.67(7) . . ?
N1 Eu01 N3 63.67(7) . 9 ?
N1 Eu01 N3 63.67(7) . 5 ?
N3 Eu01 N006 116.33(7) . . ?
N3 Eu01 N006 116.33(7) 9 . ?
N3 Eu01 N006 116.33(7) 5 . ?
N3 Eu01 N3 101.83(9) . 5 ?
N3 Eu01 N3 101.83(9) . 9 ?
N3 Eu01 N3 101.83(9) 9 5 ?
C008 N005 Eu01 113.90(19) . . ?
C008 N005 C00C 107.0(3) . . ?
C008 N005 C00E 109.0(4) . . ?
C00C N005 Eu01 114.2(2) . . ?
C00E N005 Eu01 102.4(3) . . ?
C00E N005 C00C 110.2(3) . . ?
C009 N006 Eu01 110.0(2) 5 . ?
C009 N006 Eu01 110.0(2) . . ?
C009 N006 Eu01 110.0(2) 9 . ?
C009 N006 C009 108.9(2) . 5 ?
C009 N006 C009 108.9(2) . 9 ?
C009 N006 C009 108.9(2) 9 5 ?
N005 C008 H00A 108.9 . . ?
N005 C008 H00B 108.9 . . ?
N005 C008 C009 113.5(3) . . ?
H00A C008 H00B 107.7 . . ?
C009 C008 H00A 108.9 . . ?
C009 C008 H00B 108.9 . . ?
N006 C009 C008 113.3(3) . . ?
N006 C009 H00C 108.9 . . ?
N006 C009 H00D 108.9 . . ?
C008 C009 H00C 108.9 . . ?
C008 C009 H00D 108.9 . . ?
H00C C009 H00D 107.7 . . ?
N005 C00C H00E 109.1 . . ?
N005 C00C H00F 109.1 . . ?
N005 C00C C3 112.6(3) . . ?
H00E C00C H00F 107.8 . . ?
C3 C00C H00E 109.1 . . ?
C3 C00C H00F 109.1 . . ?
H00G C00D H00H 109.5 . . ?
H00G C00D H00I 109.5 . . ?
H00H C00D H00I 109.5 . . ?
N3 C00D H00G 109.5 . . ?
N3 C00D H00H 109.5 . . ?
N3 C00D H00I 109.5 . . ?
N005 C00E H00J 109.5 . . ?
N005 C00E H00K 109.5 . . ?
N005 C00E H00L 109.5 . . ?
H00J C00E H00K 109.5 . . ?
H00J C00E H00L 109.5 . . ?
H00K C00E H00L 109.5 . . ?
H00M C00G H00N 108.1 . . ?
N3 C00G H00M 109.5 . . ?
N3 C00G H00N 109.5 . . ?
N3 C00G C1AA 110.8(4) . . ?
C1AA C00G H00M 109.5 . . ?
C1AA C00G H00N 109.5 . . ?
C00C C3 H3A 109.2 . . ?
C00C C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
N3 C3 C00C 112.2(3) . . ?
N3 C3 H3A 109.2 . . ?
N3 C3 H3B 109.2 . . ?
C1AA N1 Eu01 111.1(3) 5 . ?
C1AA N1 Eu01 111.1(3) 9 . ?
C1AA N1 Eu01 111.1(3) . . ?
C1AA N1 C1AA 107.8(3) 9 . ?
C1AA N1 C1AA 107.8(3) 5 . ?
C1AA N1 C1AA 107.8(3) 5 9 ?
C1AB N1 Eu01 109.8(4) 9 . ?
C1AB N1 Eu01 109.8(4) . . ?
C1AB N1 Eu01 109.8(4) 5 . ?
C1AB N1 C1AB 109.1(4) . 5 ?
C1AB N1 C1AB 109.1(4) 9 5 ?
C1AB N1 C1AB 109.1(4) . 9 ?
C0AA O1 C0AA 102.3(7) 8_656 . ?
C0AA O1 C0AA 102.3(7) . 11_466 ?
C0AA O1 C0AA 102.3(7) 8_656 11_466 ?
C00D N3 Eu01 117.1(3) . . ?
C00D N3 C3 109.6(4) . . ?
C00D N3 C00H 92.0(5) . . ?
C00G N3 Eu01 107.8(3) . . ?
C00G N3 C00D 117.3(5) . . ?
C00G N3 C3 95.8(4) . . ?
C3 N3 Eu01 106.7(3) . . ?
C3 N3 C00H 118.9(4) . . ?
C00H N3 Eu01 112.4(3) . . ?
O1 C0AA H0AA 109.5 . . ?
O1 C0AA H0AB 109.5 . . ?
O1 C0AA H0AC 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
N3 C00H H00O 110.5 . . ?
N3 C00H H00P 110.5 . . ?
H00O C00H H00P 108.7 . . ?
C1AB C00H N3 106.2(6) . . ?
C1AB C00H H00O 110.5 . . ?
C1AB C00H H00P 110.5 . . ?
C00G C1AA H1AA 109.0 . . ?
C00G C1AA H1AB 109.0 . . ?
N1 C1AA C00G 112.8(4) . . ?
N1 C1AA H1AA 109.0 . . ?
N1 C1AA H1AB 109.0 . . ?
H1AA C1AA H1AB 107.8 . . ?
N1 C1AB C00H 114.4(6) . . ?
N1 C1AB H1AC 108.7 . . ?
N1 C1AB H1AD 108.7 . . ?
C00H C1AB H1AC 108.7 . . ?
C00H C1AB H1AD 108.7 . . ?
H1AC C1AB H1AD 107.6 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Light-sensitive,Photo-sensitive
