# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2224219'
loop_
_audit_author_name
_audit_author_address
'Hao Qi'
;Peking University
China
;
_audit_update_record             
;
2022-12-04 deposited with the CCDC.	2023-02-20 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            'C16 H36 Eu I2 N4'
_chemical_formula_weight         690.25

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.0897(3)
_cell_length_b                   8.7529(2)
_cell_length_c                   17.4038(4)
_cell_angle_alpha                90
_cell_angle_beta                 105.998(2)
_cell_angle_gamma                90
_cell_volume                     2356.08(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    180.00(10)
_cell_measurement_reflns_used    19747
_cell_measurement_theta_min      2.4140
_cell_measurement_theta_max      30.5710

_exptl_crystal_description       rod-like
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_F_000             1316
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    5.288
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.80028
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.29a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.812
_oxdiff_exptl_absorpt_empirical_full_max 1.283
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      180.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56968
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.428
_diffrn_reflns_theta_max         30.773
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.911
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.911
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6711
_reflns_number_gt                5323
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0357P)²+2.2123P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6711
_refine_ls_number_parameters     214
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0291
_refine_ls_wR_factor_ref         0.0709
_refine_ls_wR_factor_gt          0.0659
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.24849(2) 0.24967(2) 0.76609(2) 0.02615(5) Uani 1 1 d . . . . .
I1 I 0.16494(2) 0.31486(4) 0.90940(2) 0.05154(9) Uani 1 1 d . . . . .
I2 I 0.32822(2) -0.08848(3) 0.78268(2) 0.04251(7) Uani 1 1 d . . . . .
N1 N 0.10179(18) 0.1234(3) 0.68072(17) 0.0343(6) Uani 1 1 d . . . . .
N2 N 0.15768(17) 0.4369(3) 0.65065(16) 0.0306(6) Uani 1 1 d . . . . .
N3 N 0.34305(17) 0.3974(3) 0.68475(16) 0.0311(6) Uani 1 1 d . . . . .
N4 N 0.39856(18) 0.3509(3) 0.86233(16) 0.0331(6) Uani 1 1 d . . . . .
C1 C 0.0686(3) 0.0171(5) 0.7309(3) 0.0508(10) Uani 1 1 d . . . . .
H1A H 0.1099 -0.0632 0.7495 0.076 Uiso 1 1 calc R U . . .
H1B H 0.0149 -0.0259 0.7000 0.076 Uiso 1 1 calc R U . . .
H1C H 0.0595 0.0712 0.7758 0.076 Uiso 1 1 calc R U . . .
C2 C 0.1134(3) 0.0386(5) 0.6119(2) 0.0497(10) Uani 1 1 d . . . . .
H2A H 0.1385 0.1045 0.5803 0.075 Uiso 1 1 calc R U . . .
H2B H 0.0584 0.0025 0.5801 0.075 Uiso 1 1 calc R U . . .
H2C H 0.1511 -0.0469 0.6304 0.075 Uiso 1 1 calc R U . . .
C3 C 0.0414(2) 0.2519(4) 0.6565(3) 0.0416(9) Uani 1 1 d . . . . .
H3A H 0.0326 0.2996 0.7040 0.050 Uiso 1 1 calc R U . . .
H3B H -0.0140 0.2130 0.6251 0.050 Uiso 1 1 calc R U . . .
C4 C 0.0729(2) 0.3713(4) 0.6082(2) 0.0408(8) Uani 1 1 d . . . . .
H4A H 0.0772 0.3255 0.5587 0.049 Uiso 1 1 calc R U . . .
H4B H 0.0307 0.4530 0.5946 0.049 Uiso 1 1 calc R U . . .
C5 C 0.1459(2) 0.5565(4) 0.7064(2) 0.0397(8) Uani 1 1 d . . . . .
H5A H 0.1061 0.6319 0.6776 0.060 Uiso 1 1 calc R U . . .
H5B H 0.2006 0.6039 0.7311 0.060 Uiso 1 1 calc R U . . .
H5C H 0.1235 0.5114 0.7469 0.060 Uiso 1 1 calc R U . . .
C6 C 0.2037(2) 0.4920(4) 0.5921(2) 0.0341(7) Uani 1 1 d . . . . .
H6 H 0.2016 0.4090 0.5538 0.041 Uiso 1 1 calc R U . . .
C7 C 0.1615(3) 0.6324(5) 0.5438(2) 0.0451(9) Uani 1 1 d . . . . .
H7A H 0.1013 0.6099 0.5176 0.054 Uiso 1 1 calc R U . . .
H7B H 0.1632 0.7174 0.5801 0.054 Uiso 1 1 calc R U . . .
C8 C 0.2069(3) 0.6787(5) 0.4810(3) 0.0564(11) Uani 1 1 d . . . . .
H8A H 0.2004 0.5981 0.4415 0.068 Uiso 1 1 calc R U . . .
H8B H 0.1802 0.7705 0.4538 0.068 Uiso 1 1 calc R U . . .
C9 C 0.3012(3) 0.7076(5) 0.5190(3) 0.0552(11) Uani 1 1 d . . . . .
H9A H 0.3077 0.7955 0.5541 0.066 Uiso 1 1 calc R U . . .
H9B H 0.3296 0.7303 0.4779 0.066 Uiso 1 1 calc R U . . .
C10 C 0.3438(3) 0.5690(5) 0.5668(2) 0.0434(9) Uani 1 1 d . . . . .
H10A H 0.4042 0.5914 0.5921 0.052 Uiso 1 1 calc R U . . .
H10B H 0.3412 0.4833 0.5309 0.052 Uiso 1 1 calc R U . . .
C11 C 0.2985(2) 0.5251(4) 0.6318(2) 0.0333(7) Uani 1 1 d . . . . .
H11 H 0.3008 0.6151 0.6658 0.040 Uiso 1 1 calc R U . . .
C12 C 0.3572(3) 0.2622(4) 0.6398(2) 0.0447(9) Uani 1 1 d . . . . .
H12A H 0.3989 0.2859 0.6114 0.067 Uiso 1 1 calc R U . . .
H12B H 0.3037 0.2329 0.6025 0.067 Uiso 1 1 calc R U . . .
H12C H 0.3782 0.1796 0.6763 0.067 Uiso 1 1 calc R U . . .
C13 C 0.4259(2) 0.4528(4) 0.7383(2) 0.0397(8) Uani 1 1 d . . . . .
H13A H 0.4183 0.5570 0.7542 0.048 Uiso 1 1 calc R U . . .
H13B H 0.4692 0.4537 0.7091 0.048 Uiso 1 1 calc R U . . .
C14 C 0.4580(2) 0.3564(5) 0.8121(2) 0.0391(8) Uani 1 1 d . . . . .
H14A H 0.4677 0.2532 0.7962 0.047 Uiso 1 1 calc R U . . .
H14B H 0.5131 0.3965 0.8434 0.047 Uiso 1 1 calc R U . . .
C15 C 0.3863(3) 0.5025(5) 0.8937(3) 0.0519(10) Uani 1 1 d . . . . .
H15A H 0.3574 0.5681 0.8504 0.078 Uiso 1 1 calc R U . . .
H15B H 0.4416 0.5454 0.9206 0.078 Uiso 1 1 calc R U . . .
H15C H 0.3520 0.4932 0.9307 0.078 Uiso 1 1 calc R U . . .
C16 C 0.4331(3) 0.2469(4) 0.9304(2) 0.0452(9) Uani 1 1 d . . . . .
H16A H 0.3933 0.2417 0.9626 0.068 Uiso 1 1 calc R U . . .
H16B H 0.4878 0.2846 0.9622 0.068 Uiso 1 1 calc R U . . .
H16C H 0.4406 0.1468 0.9108 0.068 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 N1 2.658(3) . ?
Eu1 N3 2.679(3) . ?
Eu1 N4 2.682(3) . ?
Eu1 N2 2.690(3) . ?
Eu1 I1 3.1940(3) . ?
Eu1 I2 3.2071(3) . ?
N1 C2 1.464(5) . ?
N1 C1 1.473(5) . ?
N1 C3 1.470(5) . ?
N2 C5 1.475(4) . ?
N2 C4 1.476(4) . ?
N2 C6 1.495(4) . ?
N3 C12 1.470(5) . ?
N3 C13 1.481(4) . ?
N3 C11 1.500(4) . ?
N4 C15 1.469(5) . ?
N4 C14 1.464(5) . ?
N4 C16 1.476(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.514(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C11 1.518(5) . ?
C6 C7 1.537(5) . ?
C6 H6 0.9800 . ?
C7 C8 1.529(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.500(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.522(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.553(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.504(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 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
N1 Eu1 N3 116.83(8) . . ?
N1 Eu1 N4 173.91(9) . . ?
N3 Eu1 N4 68.03(9) . . ?
N1 Eu1 N2 67.66(9) . . ?
N3 Eu1 N2 65.30(8) . . ?
N4 Eu1 N2 118.39(8) . . ?
N1 Eu1 I1 90.61(6) . . ?
N3 Eu1 I1 138.49(6) . . ?
N4 Eu1 I1 87.33(6) . . ?
N2 Eu1 I1 102.45(6) . . ?
N1 Eu1 I2 86.46(6) . . ?
N3 Eu1 I2 102.82(6) . . ?
N4 Eu1 I2 88.83(6) . . ?
N2 Eu1 I2 138.66(6) . . ?
I1 Eu1 I2 109.787(8) . . ?
C2 N1 C1 108.2(3) . . ?
C2 N1 C3 112.2(3) . . ?
C1 N1 C3 109.5(3) . . ?
C2 N1 Eu1 111.9(2) . . ?
C1 N1 Eu1 110.0(2) . . ?
C3 N1 Eu1 104.9(2) . . ?
C5 N2 C4 109.7(3) . . ?
C5 N2 C6 113.4(3) . . ?
C4 N2 C6 110.3(3) . . ?
C5 N2 Eu1 94.74(19) . . ?
C4 N2 Eu1 111.9(2) . . ?
C6 N2 Eu1 115.87(19) . . ?
C12 N3 C13 110.7(3) . . ?
C12 N3 C11 113.0(3) . . ?
C13 N3 C11 109.7(3) . . ?
C12 N3 Eu1 94.9(2) . . ?
C13 N3 Eu1 111.64(19) . . ?
C11 N3 Eu1 116.10(19) . . ?
C15 N4 C14 111.6(3) . . ?
C15 N4 C16 108.5(3) . . ?
C14 N4 C16 109.7(3) . . ?
C15 N4 Eu1 109.9(2) . . ?
C14 N4 Eu1 105.19(19) . . ?
C16 N4 Eu1 111.9(2) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 C4 113.0(3) . . ?
N1 C3 H3A 109.0 . . ?
C4 C3 H3A 109.0 . . ?
N1 C3 H3B 109.0 . . ?
C4 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
N2 C4 C3 113.3(3) . . ?
N2 C4 H4A 108.9 . . ?
C3 C4 H4A 108.9 . . ?
N2 C4 H4B 108.9 . . ?
C3 C4 H4B 108.9 . . ?
H4A C4 H4B 107.7 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C6 C11 112.1(3) . . ?
N2 C6 C7 113.8(3) . . ?
C11 C6 C7 109.4(3) . . ?
N2 C6 H6 107.1 . . ?
C11 C6 H6 107.1 . . ?
C7 C6 H6 107.1 . . ?
C8 C7 C6 112.1(3) . . ?
C8 C7 H7A 109.2 . . ?
C6 C7 H7A 109.2 . . ?
C8 C7 H7B 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C9 C8 C7 110.7(3) . . ?
C9 C8 H8A 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C8 C9 C10 110.9(3) . . ?
C8 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
C9 C10 C11 111.3(3) . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
N3 C11 C6 112.8(3) . . ?
N3 C11 C10 113.0(3) . . ?
C6 C11 C10 109.3(3) . . ?
N3 C11 H11 107.1 . . ?
C6 C11 H11 107.1 . . ?
C10 C11 H11 107.1 . . ?
N3 C12 H12A 109.5 . . ?
N3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C14 113.1(3) . . ?
N3 C13 H13A 109.0 . . ?
C14 C13 H13A 109.0 . . ?
N3 C13 H13B 109.0 . . ?
C14 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
N4 C14 C13 113.6(3) . . ?
N4 C14 H14A 108.8 . . ?
C13 C14 H14A 108.8 . . ?
N4 C14 H14B 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C16 H16A 109.5 . . ?
N4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
C2 N1 C3 C4 -62.8(4) . . . . ?
C1 N1 C3 C4 177.0(3) . . . . ?
Eu1 N1 C3 C4 58.9(3) . . . . ?
C5 N2 C4 C3 -81.2(4) . . . . ?
C6 N2 C4 C3 153.2(3) . . . . ?
Eu1 N2 C4 C3 22.6(4) . . . . ?
N1 C3 C4 N2 -58.1(4) . . . . ?
C5 N2 C6 C11 70.1(4) . . . . ?
C4 N2 C6 C11 -166.4(3) . . . . ?
Eu1 N2 C6 C11 -37.9(3) . . . . ?
C5 N2 C6 C7 -54.7(4) . . . . ?
C4 N2 C6 C7 68.8(4) . . . . ?
Eu1 N2 C6 C7 -162.7(2) . . . . ?
N2 C6 C7 C8 -176.2(3) . . . . ?
C11 C6 C7 C8 57.5(4) . . . . ?
C6 C7 C8 C9 -56.3(5) . . . . ?
C7 C8 C9 C10 55.5(5) . . . . ?
C8 C9 C10 C11 -57.3(5) . . . . ?
C12 N3 C11 C6 71.9(4) . . . . ?
C13 N3 C11 C6 -164.0(3) . . . . ?
Eu1 N3 C11 C6 -36.2(3) . . . . ?
C12 N3 C11 C10 -52.7(4) . . . . ?
C13 N3 C11 C10 71.4(4) . . . . ?
Eu1 N3 C11 C10 -160.9(2) . . . . ?
N2 C6 C11 N3 48.8(4) . . . . ?
C7 C6 C11 N3 176.0(3) . . . . ?
N2 C6 C11 C10 175.5(3) . . . . ?
C7 C6 C11 C10 -57.3(4) . . . . ?
C9 C10 C11 N3 -175.2(3) . . . . ?
C9 C10 C11 C6 58.4(4) . . . . ?
C12 N3 C13 C14 -76.4(4) . . . . ?
C11 N3 C13 C14 158.2(3) . . . . ?
Eu1 N3 C13 C14 28.1(4) . . . . ?
C15 N4 C14 C13 -63.0(4) . . . . ?
C16 N4 C14 C13 176.7(3) . . . . ?
Eu1 N4 C14 C13 56.2(3) . . . . ?
N3 C13 C14 N4 -60.5(4) . . . . ?

_refine_diff_density_max         1.643
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.121



####################################################################### 
# 
# 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_3_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2224223'
loop_
_audit_author_name
_audit_author_address
'Hao Qi'
;Peking University
China
;
_audit_update_record             
;
2022-12-04 deposited with the CCDC.	2023-02-20 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            'C20 H44 Eu I2 N4'
_chemical_formula_weight         746.35

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      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   13.2806(3)
_cell_length_b                   11.8453(3)
_cell_length_c                   8.9150(2)
_cell_angle_alpha                90
_cell_angle_beta                 108.362(3)
_cell_angle_gamma                90
_cell_volume                     1331.04(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    180.00(10)
_cell_measurement_reflns_used    6042
_cell_measurement_theta_min      2.3620
_cell_measurement_theta_max      29.0000

_exptl_crystal_description       block
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_F_000             722
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    4.687
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.94847
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.29a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.935
_oxdiff_exptl_absorpt_empirical_full_max 1.103
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      180.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_detector                 'CCD plate'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8378
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.359
_diffrn_reflns_theta_max         29.446
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.928
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.812
_diffrn_reflns_point_group_measured_fraction_full 0.919
_reflns_number_total             3009
_reflns_number_gt                2924
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.674
_reflns_Friedel_fraction_max     0.685
_reflns_Friedel_fraction_full    0.830

_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          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0387P)²+0.3683P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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 
;
 Flack x determined using 1148 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.021(9)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         3009
_refine_ls_number_parameters     138
_refine_ls_number_restraints     46
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0264
_refine_ls_wR_factor_ref         0.0655
_refine_ls_wR_factor_gt          0.0649
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001

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 0.0000 0.84127(4) 0.0000 0.02715(10) Uani 1 2 d S T P A .
I1 I 0.14392(4) 0.98394(5) -0.16642(7) 0.0615(2) Uani 1 1 d . . . . .
N1 N 0.0214(4) 0.6463(5) 0.1686(7) 0.0403(12) Uani 1 1 d D . . . .
N2 N 0.1507(4) 0.8526(7) 0.2907(6) 0.0448(14) Uani 1 1 d . . . . .
C1A C 0.028(4) 0.5388(15) 0.077(4) 0.050(5) Uani 0.5 1 d D U P A -1
H1A H 0.1013 0.5352 0.0757 0.060 Uiso 0.5 1 calc R U P A -1
C1B C -0.042(4) 0.5416(15) -0.100(5) 0.050(5) Uani 0.5 1 d D U P A -1
H1B H -0.117(5) 0.544(17) -0.12(2) 0.060 Uiso 0.5 1 d D U P B -1
C2A C 0.006(2) 0.4221(15) 0.137(3) 0.058(4) Uani 0.5 1 d D U P A -1
H2A1 H 0.0508 0.4142 0.2457 0.070 Uiso 0.5 1 calc R U P A -1
H2A2 H -0.0672 0.4218 0.1382 0.070 Uiso 0.5 1 calc R U P A -1
C2B C -0.014(2) 0.4428(15) -0.194(3) 0.058(4) Uani 0.5 1 d D U P A -1
H2B1 H -0.0542 0.4496 -0.3049 0.070 Uiso 0.5 1 calc R U P A -1
H2B2 H 0.0609 0.4443 -0.1828 0.070 Uiso 0.5 1 calc R U P A -1
C3A C 0.021(2) 0.3191(13) 0.047(2) 0.075(6) Uani 0.5 1 d D U P A -1
H3A1 H -0.0025 0.2523 0.0891 0.090 Uiso 0.5 1 calc R U P A -1
H3A2 H 0.0960 0.3100 0.0591 0.090 Uiso 0.5 1 calc R U P A -1
C3B C -0.042(2) 0.3324(16) -0.128(2) 0.075(6) Uani 0.5 1 d D . P A -1
H3B1 H -0.0265 0.2695 -0.1869 0.090 Uiso 0.5 1 calc R U P A -1
H3B2 H -0.1172 0.3311 -0.1409 0.090 Uiso 0.5 1 calc R U P A -1
C4 C -0.0832(6) 0.6552(8) 0.1903(9) 0.0533(19) Uani 1 1 d . . . . .
H4A H -0.0953 0.5903 0.2467 0.080 Uiso 1 1 calc R U . . .
H4B H -0.1369 0.6590 0.0889 0.080 Uiso 1 1 calc R U . . .
H4C H -0.0860 0.7223 0.2494 0.080 Uiso 1 1 calc R U . . .
C5 C 0.1055(6) 0.6541(8) 0.3253(9) 0.055(2) Uani 1 1 d . . . . .
H5A H 0.0869 0.6046 0.3992 0.066 Uiso 1 1 calc R U . . .
H5B H 0.1720 0.6276 0.3146 0.066 Uiso 1 1 calc R U . . .
C6 C 0.1207(6) 0.7697(9) 0.3909(8) 0.057(2) Uani 1 1 d . . . . .
H6A H 0.0553 0.7942 0.4074 0.068 Uiso 1 1 calc R U . . .
H6B H 0.1752 0.7680 0.4931 0.068 Uiso 1 1 calc R U . . .
C7 C 0.2473(5) 0.8205(6) 0.2514(8) 0.0436(18) Uani 1 1 d . . . . .
H7A H 0.2619 0.8798 0.1861 0.052 Uiso 1 1 calc R U . . .
H7B H 0.2315 0.7526 0.1875 0.052 Uiso 1 1 calc R U . . .
C8 C 0.3489(6) 0.7993(11) 0.3894(11) 0.074(3) Uani 1 1 d . . . . .
H8A H 0.4028 0.7698 0.3496 0.110 Uiso 1 1 calc R U . . .
H8B H 0.3345 0.7459 0.4611 0.110 Uiso 1 1 calc R U . . .
H8C H 0.3729 0.8690 0.4439 0.110 Uiso 1 1 calc R U . . .
C9 C 0.1632(7) 0.9639(10) 0.3731(11) 0.069(3) Uani 1 1 d . . . . .
H9A H 0.1034 0.9750 0.4120 0.083 Uiso 1 1 calc R U . . .
H9B H 0.2269 0.9616 0.4640 0.083 Uiso 1 1 calc R U . . .
C10 C 0.1701(8) 1.0622(9) 0.2740(14) 0.079(3) Uani 1 1 d . . . . .
H10A H 0.1068 1.0665 0.1847 0.119 Uiso 1 1 calc R U . . .
H10B H 0.2305 1.0536 0.2377 0.119 Uiso 1 1 calc R U . . .
H10C H 0.1776 1.1301 0.3353 0.119 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 N1 2.721(5) 2 ?
Eu1 N1 2.721(5) . ?
Eu1 N2 2.734(5) . ?
Eu1 N2 2.734(5) 2 ?
Eu1 C4 3.184(8) 2 ?
Eu1 I1 3.2398(5) 2 ?
Eu1 I1 3.2399(5) . ?
N1 C4 1.466(9) . ?
N1 C5 1.491(9) . ?
N1 C1A 1.530(18) . ?
N2 C6 1.465(10) . ?
N2 C7 1.482(8) . ?
N2 C9 1.493(11) . ?
C1A C2A 1.54(2) . ?
C1A C1B 1.557(15) . ?
C1B C2B 1.55(2) . ?
C2A C3A 1.510(19) . ?
C2B C3B 1.525(19) . ?
C3A C3B 1.53(2) . ?
C5 C6 1.478(14) . ?
C7 C8 1.533(10) . ?
C9 C10 1.482(16) . ?

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
N1 Eu1 N1 63.9(3) 2 . ?
N1 Eu1 N2 118.89(19) 2 . ?
N1 Eu1 N2 66.4(2) . . ?
N1 Eu1 N2 66.4(2) 2 2 ?
N1 Eu1 N2 118.90(19) . 2 ?
N2 Eu1 N2 174.4(3) . 2 ?
N1 Eu1 C4 27.33(18) 2 2 ?
N1 Eu1 C4 73.4(2) . 2 ?
N2 Eu1 C4 105.40(19) . 2 ?
N2 Eu1 C4 78.6(2) 2 2 ?
N1 Eu1 I1 136.19(11) 2 2 ?
N1 Eu1 I1 99.42(11) . 2 ?
N2 Eu1 I1 84.36(12) . 2 ?
N2 Eu1 I1 92.70(14) 2 2 ?
C4 Eu1 I1 163.52(14) 2 2 ?
N1 Eu1 I1 99.42(11) 2 . ?
N1 Eu1 I1 136.19(11) . . ?
N2 Eu1 I1 92.70(14) . . ?
N2 Eu1 I1 84.36(12) 2 . ?
C4 Eu1 I1 76.30(16) 2 . ?
I1 Eu1 I1 117.12(3) 2 . ?
C4 N1 C5 109.5(6) . . ?
C4 N1 C1A 110.2(17) . . ?
C5 N1 C1A 113.6(19) . . ?
C4 N1 Eu1 94.2(4) . . ?
C5 N1 Eu1 112.5(5) . . ?
C1A N1 Eu1 115.1(13) . . ?
C6 N2 C7 113.3(7) . . ?
C6 N2 C9 107.5(7) . . ?
C7 N2 C9 111.9(6) . . ?
C6 N2 Eu1 106.6(4) . . ?
C7 N2 Eu1 101.1(3) . . ?
C9 N2 Eu1 116.4(5) . . ?
N1 C1A C2A 121(2) . . ?
N1 C1A C1B 114(2) . . ?
C2A C1A C1B 104.7(17) . . ?
C2B C1B C1A 111.4(17) . . ?
C3A C2A C1A 117.7(15) . . ?
C3B C2B C1B 108.3(16) . . ?
C2A C3A C3B 109.7(16) . . ?
C2B C3B C3A 111.0(16) . . ?
C6 C5 N1 113.4(6) . . ?
N2 C6 C5 114.2(6) . . ?
N2 C7 C8 117.4(6) . . ?
C10 C9 N2 114.7(7) . . ?

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
C4 N1 C1A C2A -56(4) . . . . ?
C5 N1 C1A C2A 67(4) . . . . ?
Eu1 N1 C1A C2A -161(3) . . . . ?
C4 N1 C1A C1B 69.9(14) . . . . ?
C5 N1 C1A C1B -166.8(9) . . . . ?
Eu1 N1 C1A C1B -35.1(17) . . . . ?
N1 C1A C1B C2B 168(3) . . . . ?
C2A C1A C1B C2B -58.0(13) . . . . ?
N1 C1A C2A C3A -176(3) . . . . ?
C1B C1A C2A C3A 54(2) . . . . ?
C1A C1B C2B C3B 64(2) . . . . ?
C1A C2A C3A C3B -53(3) . . . . ?
C1B C2B C3B C3A -60(3) . . . . ?
C2A C3A C3B C2B 54(2) . . . . ?
C4 N1 C5 C6 -74.3(8) . . . . ?
C1A N1 C5 C6 162.0(15) . . . . ?
Eu1 N1 C5 C6 29.0(7) . . . . ?
C7 N2 C6 C5 -55.7(8) . . . . ?
C9 N2 C6 C5 -179.8(6) . . . . ?
Eu1 N2 C6 C5 54.7(7) . . . . ?
N1 C5 C6 N2 -59.5(9) . . . . ?
C6 N2 C7 C8 -57.3(10) . . . . ?
C9 N2 C7 C8 64.5(10) . . . . ?
Eu1 N2 C7 C8 -171.0(7) . . . . ?
C6 N2 C9 C10 -167.1(7) . . . . ?
C7 N2 C9 C10 67.9(9) . . . . ?
Eu1 N2 C9 C10 -47.6(9) . . . . ?

_refine_diff_density_max         1.522
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.113



####################################################################### 
# 
# 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_3_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2224226'
loop_
_audit_author_name
_audit_author_address
'Hao Qi'
;Peking University
China
;
_audit_update_record             
;
2022-12-04 deposited with the CCDC.	2023-02-20 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            'C44 H92 Eu2 I4 N4 O5'
_chemical_formula_weight         1568.73

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'
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           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   13.4959(2)
_cell_length_b                   11.8913(2)
_cell_length_c                   18.6407(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.846(2)
_cell_angle_gamma                90
_cell_volume                     2955.95(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    179.99(10)
_cell_measurement_reflns_used    19466
_cell_measurement_theta_min      2.2030
_cell_measurement_theta_max      30.5620

_exptl_crystal_description       plate-like
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_F_000             1524
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    4.230
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.65683
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.29a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.712
_oxdiff_exptl_absorpt_empirical_full_max 1.626
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      179.99(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36315
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.211
_diffrn_reflns_theta_max         30.641
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.922
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.885
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8080
_reflns_number_gt                6847
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.839
_reflns_Friedel_fraction_max     0.844
_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          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0350P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2794 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.000(6)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         8080
_refine_ls_number_parameters     307
_refine_ls_number_restraints     86
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0696
_refine_ls_wR_factor_gt          0.0675
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.5000 0.59468(4) 1.0000 0.03499(9) Uani 1 2 d S T P . .
I1 I 0.66940(3) 0.74302(5) 0.94338(2) 0.05795(14) Uani 1 1 d . . . . .
N1 N 0.4051(3) 0.6052(6) 0.8565(2) 0.0424(11) Uani 1 1 d . . . . .
N2 N 0.5134(3) 0.4001(5) 0.9253(2) 0.0399(11) Uani 1 1 d . . . . .
C1 C 0.4092(5) 0.7152(7) 0.8176(4) 0.0495(16) Uani 1 1 d . . . . .
H1A H 0.4789 0.7370 0.8206 0.059 Uiso 1 1 calc R U . . .
H1B H 0.3831 0.7034 0.7667 0.059 Uiso 1 1 calc R U . . .
C2 C 0.3536(6) 0.8103(7) 0.8443(4) 0.0579(18) Uani 1 1 d . . . . .
H2A H 0.3759 0.8203 0.8959 0.069 Uiso 1 1 calc R U . . .
H2B H 0.2826 0.7928 0.8373 0.069 Uiso 1 1 calc R U . . .
C3 C 0.3700(7) 0.9178(8) 0.8049(5) 0.082(3) Uani 1 1 d . . . . .
H3A H 0.3567 0.9050 0.7535 0.123 Uiso 1 1 calc R U . . .
H3B H 0.4381 0.9421 0.8184 0.123 Uiso 1 1 calc R U . . .
H3C H 0.3254 0.9748 0.8178 0.123 Uiso 1 1 calc R U . . .
C4 C 0.3012(5) 0.5671(6) 0.8566(3) 0.0469(15) Uani 1 1 d . . . . .
H4A H 0.2665 0.6240 0.8806 0.056 Uiso 1 1 calc R U . . .
H4B H 0.3031 0.4991 0.8856 0.056 Uiso 1 1 calc R U . . .
C5 C 0.2390(5) 0.5430(7) 0.7823(4) 0.0557(17) Uani 1 1 d . . . . .
H5A H 0.2394 0.6088 0.7516 0.067 Uiso 1 1 calc R U . . .
H5B H 0.2694 0.4814 0.7593 0.067 Uiso 1 1 calc R U . . .
C6 C 0.1319(5) 0.5129(8) 0.7889(4) 0.067(2) Uani 1 1 d . . . . .
H6A H 0.0958 0.4955 0.7417 0.101 Uiso 1 1 calc R U . . .
H6B H 0.1005 0.5754 0.8091 0.101 Uiso 1 1 calc R U . . .
H6C H 0.1314 0.4487 0.8201 0.101 Uiso 1 1 calc R U . . .
C7 C 0.4623(5) 0.5254(7) 0.8183(3) 0.0520(17) Uani 1 1 d . . . . .
H7A H 0.5302 0.5533 0.8204 0.062 Uiso 1 1 calc R U . . .
H7B H 0.4321 0.5224 0.7676 0.062 Uiso 1 1 calc R U . . .
C8 C 0.4664(5) 0.4085(7) 0.8489(3) 0.0539(17) Uani 1 1 d . . . . .
H8A H 0.3986 0.3794 0.8445 0.065 Uiso 1 1 calc R U . . .
H8B H 0.5032 0.3611 0.8199 0.065 Uiso 1 1 calc R U . . .
C9 C 0.6231(5) 0.4118(7) 0.9302(4) 0.0540(17) Uani 1 1 d . . . . .
H9A H 0.6547 0.3955 0.9788 0.081 Uiso 1 1 calc R U . . .
H9B H 0.6391 0.4873 0.9178 0.081 Uiso 1 1 calc R U . . .
H9C H 0.6470 0.3602 0.8971 0.081 Uiso 1 1 calc R U . . .
C10 C 0.4835(5) 0.2954(6) 0.9588(4) 0.0467(15) Uani 1 1 d . . . . .
H10 H 0.4101 0.2930 0.9503 0.056 Uiso 1 1 calc R U . . .
C11 C 0.5205(7) 0.1872(7) 0.9261(5) 0.067(2) Uani 1 1 d . . . . .
H11A H 0.4971 0.1865 0.8743 0.080 Uiso 1 1 calc R U . . .
H11B H 0.5932 0.1874 0.9334 0.080 Uiso 1 1 calc R U . . .
C12 C 0.4846(8) 0.0814(8) 0.9594(5) 0.084(3) Uani 1 1 d . . . . .
H12A H 0.4122 0.0766 0.9479 0.101 Uiso 1 1 calc R U . . .
H12B H 0.5128 0.0161 0.9388 0.101 Uiso 1 1 calc R U . . .
Eu2 Eu 0.5000 0.60305(4) 0.5000 0.04055(10) Uani 1 2 d S T P A .
I2 I 0.69269(3) 0.58913(5) 0.41751(2) 0.06192(13) Uani 1 1 d . . . . .
O1 O 0.4398(3) 0.4272(4) 0.4242(3) 0.0652(14) Uani 1 1 d D . . . .
O2 O 0.6234(4) 0.6758(5) 0.6108(3) 0.0706(16) Uani 1 1 d D . . . .
O3 O 0.502(5) 0.8204(9) 0.5126(19) 0.080(8) Uani 0.5 1 d D U P A -1
C13A C 0.4977(18) 0.3266(17) 0.4192(14) 0.060(4) Uani 0.45(2) 1 d D U P B 1
H13A H 0.4870 0.2730 0.4565 0.072 Uiso 0.45(2) 1 calc R U P B 1
H13B H 0.5687 0.3437 0.4241 0.072 Uiso 0.45(2) 1 calc R U P B 1
C14A C 0.459(3) 0.281(5) 0.344(2) 0.074(7) Uani 0.45(2) 1 d D U P B 1
H14A H 0.5040 0.3004 0.3106 0.088 Uiso 0.45(2) 1 calc R U P B 1
H14B H 0.4518 0.2003 0.3457 0.088 Uiso 0.45(2) 1 calc R U P B 1
C15A C 0.359(3) 0.336(5) 0.322(3) 0.061(6) Uani 0.45(2) 1 d D U P B 1
H15A H 0.3069 0.2794 0.3100 0.074 Uiso 0.45(2) 1 calc R U P B 1
H15B H 0.3599 0.3840 0.2802 0.074 Uiso 0.45(2) 1 calc R U P B 1
C16A C 0.340(2) 0.404(5) 0.3878(19) 0.055(5) Uani 0.45(2) 1 d D U P B 1
H16A H 0.3046 0.4735 0.3731 0.065 Uiso 0.45(2) 1 calc R U P B 1
H16B H 0.3023 0.3617 0.4186 0.065 Uiso 0.45(2) 1 calc R U P B 1
C17A C 0.6009(12) 0.6763(14) 0.6829(6) 0.070(4) Uani 0.80(2) 1 d D U P B 1
H17A H 0.5665 0.6078 0.6929 0.084 Uiso 0.80(2) 1 calc R U P B 1
H17B H 0.5593 0.7403 0.6907 0.084 Uiso 0.80(2) 1 calc R U P B 1
C18A C 0.7016(10) 0.6841(16) 0.7300(6) 0.090(4) Uani 0.80(2) 1 d D U P B 1
H18A H 0.6992 0.7378 0.7689 0.108 Uiso 0.80(2) 1 calc R U P B 1
H18B H 0.7209 0.6114 0.7513 0.108 Uiso 0.80(2) 1 calc R U P B 1
C19A C 0.7752(10) 0.7214(15) 0.6831(8) 0.085(5) Uani 0.80(2) 1 d D U P B 1
H19A H 0.8233 0.6623 0.6780 0.102 Uiso 0.80(2) 1 calc R U P B 1
H19B H 0.8111 0.7879 0.7029 0.102 Uiso 0.80(2) 1 calc R U P B 1
C20A C 0.7116(11) 0.7468(14) 0.6115(8) 0.089(5) Uani 0.80(2) 1 d D U P B 1
H20A H 0.6930 0.8256 0.6082 0.107 Uiso 0.80(2) 1 calc R U P B 1
H20B H 0.7467 0.7281 0.5714 0.107 Uiso 0.80(2) 1 calc R U P B 1
C13B C 0.5049(13) 0.3538(15) 0.3866(12) 0.060(4) Uani 0.55(2) 1 d D . P B 2
H13C H 0.5558 0.3172 0.4211 0.072 Uiso 0.55(2) 1 calc R U P B 2
H13D H 0.5372 0.3965 0.3524 0.072 Uiso 0.55(2) 1 calc R U P B 2
C14B C 0.432(2) 0.269(3) 0.3480(19) 0.074(7) Uani 0.55(2) 1 d D . P B 2
H14C H 0.4529 0.2449 0.3029 0.088 Uiso 0.55(2) 1 calc R U P B 2
H14D H 0.4265 0.2040 0.3784 0.088 Uiso 0.55(2) 1 calc R U P B 2
C15B C 0.335(2) 0.332(4) 0.334(2) 0.061(6) Uani 0.55(2) 1 d D . P B 2
H15C H 0.2780 0.2814 0.3243 0.074 Uiso 0.55(2) 1 calc R U P B 2
H15D H 0.3333 0.3841 0.2935 0.074 Uiso 0.55(2) 1 calc R U P B 2
C16B C 0.3378(17) 0.393(4) 0.4056(15) 0.055(5) Uani 0.55(2) 1 d D . P B 2
H16C H 0.2935 0.4580 0.4003 0.065 Uiso 0.55(2) 1 calc R U P B 2
H16D H 0.3183 0.3437 0.4423 0.065 Uiso 0.55(2) 1 calc R U P B 2
C17B C 0.620(7) 0.645(5) 0.6861(17) 0.070(4) Uani 0.20(2) 1 d D . P B 2
H17C H 0.6625 0.5814 0.7019 0.084 Uiso 0.20(2) 1 calc R U P B 2
H17D H 0.5525 0.6319 0.6955 0.084 Uiso 0.20(2) 1 calc R U P B 2
C18B C 0.663(4) 0.754(5) 0.719(3) 0.090(4) Uani 0.20(2) 1 d D . P B 2
H18C H 0.6164 0.8163 0.7069 0.108 Uiso 0.20(2) 1 calc R U P B 2
H18D H 0.6806 0.7488 0.7711 0.108 Uiso 0.20(2) 1 calc R U P B 2
C19B C 0.754(4) 0.767(6) 0.682(4) 0.085(5) Uani 0.20(2) 1 d D . P B 2
H19C H 0.8126 0.7363 0.7127 0.102 Uiso 0.20(2) 1 calc R U P B 2
H19D H 0.7658 0.8450 0.6723 0.102 Uiso 0.20(2) 1 calc R U P B 2
C20B C 0.730(3) 0.700(6) 0.613(4) 0.089(5) Uani 0.20(2) 1 d D . P B 2
H20C H 0.7415 0.7448 0.5711 0.107 Uiso 0.20(2) 1 calc R U P B 2
H20D H 0.7695 0.6320 0.6145 0.107 Uiso 0.20(2) 1 calc R U P B 2
C21 C 0.544(4) 0.896(2) 0.464(2) 0.106(8) Uani 0.5 1 d D . P A -1
H21A H 0.5202 0.8772 0.4141 0.127 Uiso 0.5 1 calc R U P A -1
H21B H 0.6164 0.8924 0.4730 0.127 Uiso 0.5 1 calc R U P A -1
C22 C 0.509(3) 1.0126(15) 0.4809(12) 0.096(9) Uani 0.5 1 d D U P A -1
H22A H 0.5630 1.0670 0.4818 0.115 Uiso 0.5 1 calc R U P A -1
H22B H 0.4527 1.0361 0.4456 0.115 Uiso 0.5 1 calc R U P A -1
C23 C 0.480(3) 0.9990(18) 0.5536(13) 0.096(9) Uani 0.5 1 d D . P A -1
H23A H 0.4278 1.0522 0.5601 0.115 Uiso 0.5 1 calc R U P A -1
H23B H 0.5373 1.0124 0.5909 0.115 Uiso 0.5 1 calc R U P A -1
C24 C 0.443(3) 0.881(2) 0.559(2) 0.106(8) Uani 0.5 1 d D . P A -1
H24A H 0.4559 0.8534 0.6084 0.127 Uiso 0.5 1 calc R U P A -1
H24B H 0.3717 0.8754 0.5409 0.127 Uiso 0.5 1 calc R U P A -1


_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 2.720(5) 2_657 ?
Eu1 N2 2.720(5) . ?
Eu1 N1 2.785(4) . ?
Eu1 N1 2.785(4) 2_657 ?
Eu1 C9 3.138(7) 2_657 ?
Eu1 I1 3.1928(5) . ?
Eu1 I1 3.1928(5) 2_657 ?
N1 C7 1.474(9) . ?
N1 C4 1.474(8) . ?
N1 C1 1.501(10) . ?
N2 C8 1.471(8) . ?
N2 C9 1.476(8) . ?
N2 C10 1.476(9) . ?
C1 C2 1.484(11) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.508(12) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.532(9) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.513(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.500(11) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C10 1.533(13) 2_657 ?
C10 C11 1.539(10) . ?
C10 H10 0.9800 . ?
C11 C12 1.514(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C12 1.507(18) 2_657 ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
Eu2 O1 2.584(4) . ?
Eu2 O1 2.584(4) 2_656 ?
Eu2 O3 2.595(11) . ?
Eu2 O2 2.595(5) 2_656 ?
Eu2 O2 2.595(5) . ?
Eu2 I2 3.2224(4) . ?
Eu2 I2 3.2225(4) 2_656 ?
O1 C16B 1.425(19) . ?
O1 C16A 1.43(2) . ?
O1 C13A 1.439(18) . ?
O1 C13B 1.487(15) . ?
O2 C17A 1.422(11) . ?
O2 C17B 1.46(3) . ?
O2 C20A 1.457(11) . ?
O2 C20B 1.46(3) . ?
O3 C24 1.45(2) . ?
O3 C21 1.45(2) . ?
C13A C14A 1.51(2) . ?
C13A H13A 0.9700 . ?
C13A H13B 0.9700 . ?
C14A C15A 1.50(2) . ?
C14A H14A 0.9700 . ?
C14A H14B 0.9700 . ?
C15A C16A 1.52(2) . ?
C15A H15A 0.9700 . ?
C15A H15B 0.9700 . ?
C16A H16A 0.9700 . ?
C16A H16B 0.9700 . ?
C17A C18A 1.503(17) . ?
C17A H17A 0.9700 . ?
C17A H17B 0.9700 . ?
C18A C19A 1.487(15) . ?
C18A H18A 0.9700 . ?
C18A H18B 0.9700 . ?
C19A C20A 1.503(16) . ?
C19A H19A 0.9700 . ?
C19A H19B 0.9700 . ?
C20A H20A 0.9700 . ?
C20A H20B 0.9700 . ?
C13B C14B 1.51(2) . ?
C13B H13C 0.9700 . ?
C13B H13D 0.9700 . ?
C14B C15B 1.50(2) . ?
C14B H14C 0.9700 . ?
C14B H14D 0.9700 . ?
C15B C16B 1.52(2) . ?
C15B H15C 0.9700 . ?
C15B H15D 0.9700 . ?
C16B H16C 0.9700 . ?
C16B H16D 0.9700 . ?
C17B C18B 1.51(3) . ?
C17B H17C 0.9700 . ?
C17B H17D 0.9700 . ?
C18B C19B 1.50(3) . ?
C18B H18C 0.9700 . ?
C18B H18D 0.9700 . ?
C19B C20B 1.51(3) . ?
C19B H19C 0.9700 . ?
C19B H19D 0.9700 . ?
C20B H20C 0.9700 . ?
C20B H20D 0.9700 . ?
C21 C22 1.50(2) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.48(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.50(2) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 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
N2 Eu1 N2 63.5(2) 2_657 . ?
N2 Eu1 N1 118.20(17) 2_657 . ?
N2 Eu1 N1 66.68(17) . . ?
N2 Eu1 N1 66.68(17) 2_657 2_657 ?
N2 Eu1 N1 118.20(17) . 2_657 ?
N1 Eu1 N1 174.8(3) . 2_657 ?
N2 Eu1 C9 28.03(16) 2_657 2_657 ?
N2 Eu1 C9 72.79(17) . 2_657 ?
N1 Eu1 C9 103.58(17) . 2_657 ?
N1 Eu1 C9 80.08(17) 2_657 2_657 ?
N2 Eu1 I1 138.28(10) 2_657 . ?
N2 Eu1 I1 101.15(10) . . ?
N1 Eu1 I1 84.53(11) . . ?
N1 Eu1 I1 92.61(11) 2_657 . ?
C9 Eu1 I1 166.32(14) 2_657 . ?
N2 Eu1 I1 101.15(10) 2_657 2_657 ?
N2 Eu1 I1 138.28(10) . 2_657 ?
N1 Eu1 I1 92.61(11) . 2_657 ?
N1 Eu1 I1 84.53(11) 2_657 2_657 ?
C9 Eu1 I1 78.11(14) 2_657 2_657 ?
I1 Eu1 I1 112.93(2) . 2_657 ?
C7 N1 C4 111.8(6) . . ?
C7 N1 C1 105.4(5) . . ?
C4 N1 C1 112.0(5) . . ?
C7 N1 Eu1 103.7(3) . . ?
C4 N1 Eu1 106.4(3) . . ?
C1 N1 Eu1 117.3(4) . . ?
C8 N2 C9 109.4(5) . . ?
C8 N2 C10 111.2(5) . . ?
C9 N2 C10 113.0(5) . . ?
C8 N2 Eu1 112.6(4) . . ?
C9 N2 Eu1 91.9(4) . . ?
C10 N2 Eu1 117.2(3) . . ?
C2 C1 N1 116.3(5) . . ?
C2 C1 H1A 108.2 . . ?
N1 C1 H1A 108.2 . . ?
C2 C1 H1B 108.2 . . ?
N1 C1 H1B 108.2 . . ?
H1A C1 H1B 107.4 . . ?
C1 C2 C3 111.3(7) . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C3 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 C5 116.4(5) . . ?
N1 C4 H4A 108.2 . . ?
C5 C4 H4A 108.2 . . ?
N1 C4 H4B 108.2 . . ?
C5 C4 H4B 108.2 . . ?
H4A C4 H4B 107.3 . . ?
C6 C5 C4 111.6(6) . . ?
C6 C5 H5A 109.3 . . ?
C4 C5 H5A 109.3 . . ?
C6 C5 H5B 109.3 . . ?
C4 C5 H5B 109.3 . . ?
H5A C5 H5B 108.0 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C7 C8 113.9(5) . . ?
N1 C7 H7A 108.8 . . ?
C8 C7 H7A 108.8 . . ?
N1 C7 H7B 108.8 . . ?
C8 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
N2 C8 C7 114.6(6) . . ?
N2 C8 H8A 108.6 . . ?
C7 C8 H8A 108.6 . . ?
N2 C8 H8B 108.6 . . ?
C7 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C10 111.6(4) . 2_657 ?
N2 C10 C11 114.3(6) . . ?
C10 C10 C11 109.6(5) 2_657 . ?
N2 C10 H10 107.0 . . ?
C10 C10 H10 107.0 2_657 . ?
C11 C10 H10 107.0 . . ?
C12 C11 C10 112.9(7) . . ?
C12 C11 H11A 109.0 . . ?
C10 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C12 C12 C11 110.8(7) 2_657 . ?
C12 C12 H12A 109.5 2_657 . ?
C11 C12 H12A 109.5 . . ?
C12 C12 H12B 109.5 2_657 . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
O1 Eu2 O1 72.0(2) . 2_656 ?
O1 Eu2 O3 148.5(11) . . ?
O1 Eu2 O3 139.4(10) 2_656 . ?
O1 Eu2 O2 74.04(18) . 2_656 ?
O1 Eu2 O2 144.57(18) 2_656 2_656 ?
O3 Eu2 O2 74.6(11) . 2_656 ?
O1 Eu2 O2 144.57(18) . . ?
O1 Eu2 O2 74.04(18) 2_656 . ?
O3 Eu2 O2 66.4(11) . . ?
O2 Eu2 O2 141.0(3) 2_656 . ?
O1 Eu2 I2 84.62(11) . . ?
O1 Eu2 I2 90.61(11) 2_656 . ?
O3 Eu2 I2 95.6(11) . . ?
O2 Eu2 I2 95.94(11) 2_656 . ?
O2 Eu2 I2 86.03(12) . . ?
O1 Eu2 I2 90.61(11) . 2_656 ?
O1 Eu2 I2 84.62(11) 2_656 2_656 ?
O3 Eu2 I2 90.3(11) . 2_656 ?
O2 Eu2 I2 86.03(12) 2_656 2_656 ?
O2 Eu2 I2 95.94(11) . 2_656 ?
I2 Eu2 I2 174.11(3) . 2_656 ?
C16A O1 C13A 107(3) . . ?
C16B O1 C13B 109.7(19) . . ?
C16B O1 Eu2 124.9(19) . . ?
C16A O1 Eu2 127(2) . . ?
C13A O1 Eu2 125.4(10) . . ?
C13B O1 Eu2 125.0(7) . . ?
C17A O2 C20A 106.4(10) . . ?
C17B O2 C20B 102(5) . . ?
C17A O2 Eu2 123.3(7) . . ?
C17B O2 Eu2 125(3) . . ?
C20A O2 Eu2 128.5(7) . . ?
C20B O2 Eu2 126(2) . . ?
C24 O3 C21 111.2(14) . . ?
C24 O3 Eu2 123(2) . . ?
C21 O3 Eu2 124.4(18) . . ?
O1 C13A C14A 104(3) . . ?
O1 C13A H13A 111.0 . . ?
C14A C13A H13A 111.0 . . ?
O1 C13A H13B 111.0 . . ?
C14A C13A H13B 111.0 . . ?
H13A C13A H13B 109.0 . . ?
C15A C14A C13A 106(3) . . ?
C15A C14A H14A 110.6 . . ?
C13A C14A H14A 110.6 . . ?
C15A C14A H14B 110.6 . . ?
C13A C14A H14B 110.6 . . ?
H14A C14A H14B 108.7 . . ?
C14A C15A C16A 105(4) . . ?
C14A C15A H15A 110.7 . . ?
C16A C15A H15A 110.7 . . ?
C14A C15A H15B 110.7 . . ?
C16A C15A H15B 110.7 . . ?
H15A C15A H15B 108.8 . . ?
O1 C16A C15A 103(3) . . ?
O1 C16A H16A 111.2 . . ?
C15A C16A H16A 111.2 . . ?
O1 C16A H16B 111.2 . . ?
C15A C16A H16B 111.2 . . ?
H16A C16A H16B 109.1 . . ?
O2 C17A C18A 104.3(10) . . ?
O2 C17A H17A 110.9 . . ?
C18A C17A H17A 110.9 . . ?
O2 C17A H17B 110.9 . . ?
C18A C17A H17B 110.9 . . ?
H17A C17A H17B 108.9 . . ?
C19A C18A C17A 107.5(11) . . ?
C19A C18A H18A 110.2 . . ?
C17A C18A H18A 110.2 . . ?
C19A C18A H18B 110.2 . . ?
C17A C18A H18B 110.2 . . ?
H18A C18A H18B 108.5 . . ?
C18A C19A C20A 103.9(11) . . ?
C18A C19A H19A 111.0 . . ?
C20A C19A H19A 111.0 . . ?
C18A C19A H19B 111.0 . . ?
C20A C19A H19B 111.0 . . ?
H19A C19A H19B 109.0 . . ?
O2 C20A C19A 104.2(11) . . ?
O2 C20A H20A 110.9 . . ?
C19A C20A H20A 110.9 . . ?
O2 C20A H20B 110.9 . . ?
C19A C20A H20B 110.9 . . ?
H20A C20A H20B 108.9 . . ?
O1 C13B C14B 103.1(18) . . ?
O1 C13B H13C 111.1 . . ?
C14B C13B H13C 111.1 . . ?
O1 C13B H13D 111.1 . . ?
C14B C13B H13D 111.1 . . ?
H13C C13B H13D 109.1 . . ?
C15B C14B C13B 104(3) . . ?
C15B C14B H14C 111.0 . . ?
C13B C14B H14C 111.0 . . ?
C15B C14B H14D 111.0 . . ?
C13B C14B H14D 111.0 . . ?
H14C C14B H14D 109.0 . . ?
C14B C15B C16B 100(3) . . ?
C14B C15B H15C 111.7 . . ?
C16B C15B H15C 111.7 . . ?
C14B C15B H15D 111.7 . . ?
C16B C15B H15D 111.7 . . ?
H15C C15B H15D 109.5 . . ?
O1 C16B C15B 104(2) . . ?
O1 C16B H16C 110.9 . . ?
C15B C16B H16C 110.9 . . ?
O1 C16B H16D 110.9 . . ?
C15B C16B H16D 110.9 . . ?
H16C C16B H16D 109.0 . . ?
O2 C17B C18B 96(3) . . ?
O2 C17B H17C 112.5 . . ?
C18B C17B H17C 112.5 . . ?
O2 C17B H17D 112.5 . . ?
C18B C17B H17D 112.5 . . ?
H17C C17B H17D 110.0 . . ?
C19B C18B C17B 101(5) . . ?
C19B C18B H18C 111.6 . . ?
C17B C18B H18C 111.6 . . ?
C19B C18B H18D 111.6 . . ?
C17B C18B H18D 111.6 . . ?
H18C C18B H18D 109.4 . . ?
C18B C19B C20B 105(4) . . ?
C18B C19B H19C 110.7 . . ?
C20B C19B H19C 110.7 . . ?
C18B C19B H19D 110.7 . . ?
C20B C19B H19D 110.7 . . ?
H19C C19B H19D 108.8 . . ?
O2 C20B C19B 102(4) . . ?
O2 C20B H20C 111.4 . . ?
C19B C20B H20C 111.4 . . ?
O2 C20B H20D 111.4 . . ?
C19B C20B H20D 111.4 . . ?
H20C C20B H20D 109.3 . . ?
O3 C21 C22 106.5(17) . . ?
O3 C21 H21A 110.4 . . ?
C22 C21 H21A 110.4 . . ?
O3 C21 H21B 110.4 . . ?
C22 C21 H21B 110.4 . . ?
H21A C21 H21B 108.6 . . ?
C23 C22 C21 103(2) . . ?
C23 C22 H22A 111.2 . . ?
C21 C22 H22A 111.2 . . ?
C23 C22 H22B 111.2 . . ?
C21 C22 H22B 111.2 . . ?
H22A C22 H22B 109.1 . . ?
C22 C23 C24 108(2) . . ?
C22 C23 H23A 110.2 . . ?
C24 C23 H23A 110.2 . . ?
C22 C23 H23B 110.2 . . ?
C24 C23 H23B 110.2 . . ?
H23A C23 H23B 108.5 . . ?
O3 C24 C23 102(2) . . ?
O3 C24 H24A 111.4 . . ?
C23 C24 H24A 111.4 . . ?
O3 C24 H24B 111.4 . . ?
C23 C24 H24B 111.4 . . ?
H24A C24 H24B 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
C7 N1 C1 C2 178.1(6) . . . . ?
C4 N1 C1 C2 56.3(7) . . . . ?
Eu1 N1 C1 C2 -67.1(6) . . . . ?
N1 C1 C2 C3 175.5(6) . . . . ?
C7 N1 C4 C5 -55.7(8) . . . . ?
C1 N1 C4 C5 62.3(8) . . . . ?
Eu1 N1 C4 C5 -168.3(5) . . . . ?
N1 C4 C5 C6 -175.8(7) . . . . ?
C4 N1 C7 C8 -57.6(7) . . . . ?
C1 N1 C7 C8 -179.5(6) . . . . ?
Eu1 N1 C7 C8 56.7(6) . . . . ?
C9 N2 C8 C7 -74.9(7) . . . . ?
C10 N2 C8 C7 159.7(6) . . . . ?
Eu1 N2 C8 C7 25.8(6) . . . . ?
N1 C7 C8 N2 -60.2(8) . . . . ?
C8 N2 C10 C10 -169.8(6) . . . 2_657 ?
C9 N2 C10 C10 66.7(7) . . . 2_657 ?
Eu1 N2 C10 C10 -38.3(7) . . . 2_657 ?
C8 N2 C10 C11 65.2(7) . . . . ?
C9 N2 C10 C11 -58.3(8) . . . . ?
Eu1 N2 C10 C11 -163.3(5) . . . . ?
N2 C10 C11 C12 -177.4(7) . . . . ?
C10 C10 C11 C12 56.5(10) 2_657 . . . ?
C10 C11 C12 C12 -56.2(12) . . . 2_657 ?
C16A O1 C13A C14A 37(3) . . . . ?
Eu2 O1 C13A C14A -151(2) . . . . ?
O1 C13A C14A C15A -19(4) . . . . ?
C13A C14A C15A C16A -4(5) . . . . ?
C13A O1 C16A C15A -40(4) . . . . ?
Eu2 O1 C16A C15A 148(2) . . . . ?
C14A C15A C16A O1 26(4) . . . . ?
C20A O2 C17A C18A -33.6(19) . . . . ?
Eu2 O2 C17A C18A 160.2(11) . . . . ?
O2 C17A C18A C19A 16.4(17) . . . . ?
C17A C18A C19A C20A 6.3(16) . . . . ?
C17A O2 C20A C19A 38.1(19) . . . . ?
Eu2 O2 C20A C19A -156.7(9) . . . . ?
C18A C19A C20A O2 -26.2(17) . . . . ?
C16B O1 C13B C14B -3(3) . . . . ?
Eu2 O1 C13B C14B -177.1(18) . . . . ?
O1 C13B C14B C15B 29(3) . . . . ?
C13B C14B C15B C16B -42(3) . . . . ?
C13B O1 C16B C15B -23(3) . . . . ?
Eu2 O1 C16B C15B 151(2) . . . . ?
C14B C15B C16B O1 40(3) . . . . ?
C20B O2 C17B C18B 58(6) . . . . ?
Eu2 O2 C17B C18B -150(4) . . . . ?
O2 C17B C18B C19B -50(7) . . . . ?
C17B C18B C19B C20B 25(7) . . . . ?
C17B O2 C20B C19B -43(6) . . . . ?
Eu2 O2 C20B C19B 166(4) . . . . ?
C18B C19B C20B O2 10(7) . . . . ?
C24 O3 C21 C22 0(7) . . . . ?
Eu2 O3 C21 C22 168(3) . . . . ?
O3 C21 C22 C23 19(4) . . . . ?
C21 C22 C23 C24 -31(3) . . . . ?
C21 O3 C24 C23 -18(6) . . . . ?
Eu2 O3 C24 C23 173(3) . . . . ?
C22 C23 C24 O3 31(4) . . . . ?

_refine_diff_density_max         1.334
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.102



