# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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. 
# 
#######################################################################

data_exp_5787
_database_code_depnum_ccdc_archive 'CCDC 1859387'
_audit_update_record             
;
2018-07-31 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H24 Cd3 Cl6 N2 O10'
_chemical_formula_weight         1122.41

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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.0685(4)
_cell_length_b                   11.3449(4)
_cell_length_c                   11.3700(5)
_cell_angle_alpha                66.307(4)
_cell_angle_beta                 75.977(4)
_cell_angle_gamma                72.054(4)
_cell_volume                     898.25(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3099
_cell_measurement_theta_min      3.087
_cell_measurement_theta_max      28.568

_exptl_crystal_description       block
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.075
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             544
_exptl_absorpt_coefficient_mu    2.264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8344
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6096
_diffrn_reflns_av_R_equivalents  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.88
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3169
_reflns_number_gt                2732
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0378P)²+1.2211P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3169
_refine_ls_number_parameters     234
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0321
_refine_ls_wR_factor_ref         0.0860
_refine_ls_wR_factor_gt          0.0803
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.50919(4) 0.16739(3) 0.84466(3) 0.02970(13) Uani 1 1 d . . .
Cd2 Cd 0.5000 0.5000 0.5000 0.03153(15) Uani 1 2 d S . .
Cl1 Cl 0.27192(14) 0.03627(11) 0.99514(10) 0.0305(3) Uani 1 1 d . . .
Cl2 Cl 0.46312(16) 0.32030(12) 0.96505(11) 0.0374(3) Uani 1 1 d . . .
Cl3 Cl 0.31322(16) 0.33373(12) 0.66926(11) 0.0383(3) Uani 1 1 d . . .
O1 O 0.5970(4) 0.0267(3) 0.7138(3) 0.0321(7) Uani 1 1 d . . .
O2 O 0.7981(5) -0.1605(4) 0.7868(3) 0.0594(12) Uani 1 1 d . . .
H2 H 0.7529 -0.1534 0.8572 0.089 Uiso 1 1 calc R . .
O3 O 1.2555(4) -0.3341(3) 0.4958(3) 0.0372(8) Uani 1 1 d . . .
O4 O 1.2483(4) -0.2425(3) 0.2810(3) 0.0350(8) Uani 1 1 d . . .
O5 O 0.5747(5) 0.5304(3) 0.6747(3) 0.0457(9) Uani 1 1 d . . .
N1 N 0.7825(4) 0.2426(3) 0.1523(3) 0.0225(8) Uani 1 1 d . . .
C1 C 0.7187(5) -0.0605(4) 0.6946(4) 0.0254(9) Uani 1 1 d . . .
C2 C 0.7917(5) -0.0660(4) 0.5637(4) 0.0208(9) Uani 1 1 d . . .
C3 C 0.9416(5) -0.1591(4) 0.5430(4) 0.0221(9) Uani 1 1 d . . .
H3 H 0.9947 -0.2237 0.6135 0.026 Uiso 1 1 calc R . .
C4 C 1.0146(5) -0.1579(4) 0.4184(4) 0.0229(9) Uani 1 1 d . . .
C5 C 0.9291(5) -0.0628(4) 0.3142(4) 0.0239(9) Uani 1 1 d . . .
H5 H 0.9748 -0.0618 0.2305 0.029 Uiso 1 1 calc R . .
C6 C 0.7758(5) 0.0308(4) 0.3340(4) 0.0214(9) Uani 1 1 d . . .
C7 C 0.7095(5) 0.0298(4) 0.4584(4) 0.0228(9) Uani 1 1 d . . .
H7 H 0.6096 0.0934 0.4720 0.027 Uiso 1 1 calc R . .
C8 C 1.1859(6) -0.2523(4) 0.3959(4) 0.0287(10) Uani 1 1 d . . .
C9 C 0.6884(6) 0.1342(4) 0.2207(4) 0.0277(10) Uani 1 1 d . . .
H9A H 0.6864 0.0935 0.1607 0.033 Uiso 1 1 calc R . .
H9B H 0.5678 0.1708 0.2507 0.033 Uiso 1 1 calc R . .
C10 C 0.8739(6) 0.2579(4) 0.0331(4) 0.0281(10) Uani 1 1 d . . .
H10 H 0.8771 0.2013 -0.0085 0.034 Uiso 1 1 calc R . .
C11 C 0.9618(6) 0.3567(4) -0.0265(4) 0.0304(10) Uani 1 1 d . . .
H11 H 1.0273 0.3651 -0.1077 0.036 Uiso 1 1 calc R . .
C12 C 0.9553(5) 0.4451(4) 0.0319(4) 0.0238(9) Uani 1 1 d . . .
C13 C 0.8592(6) 0.4253(4) 0.1552(4) 0.0273(10) Uani 1 1 d . . .
H13 H 0.8524 0.4813 0.1983 0.033 Uiso 1 1 calc R . .
C14 C 0.7756(6) 0.3247(4) 0.2127(4) 0.0297(10) Uani 1 1 d . . .
H14 H 0.7125 0.3126 0.2951 0.036 Uiso 1 1 calc R . .
C15 C 0.7306(9) 0.5663(7) 0.6691(7) 0.075(2) Uani 1 1 d . . .
H15A H 0.8306 0.4965 0.6599 0.113 Uiso 1 1 calc R . .
H15B H 0.7279 0.5803 0.7475 0.113 Uiso 1 1 calc R . .
H15C H 0.7388 0.6463 0.5962 0.113 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 O4 2.300(3) 2_756 ?
Cd1 O1 2.442(3) . ?
Cd1 Cl2 2.5071(12) . ?
Cd1 Cl3 2.5892(11) . ?
Cd1 Cl1 2.6320(12) . ?
Cd1 Cl1 2.7271(11) 2_657 ?
Cd2 O3 2.264(3) 1_465 ?
Cd2 O3 2.264(3) 2_756 ?
Cd2 O5 2.385(3) . ?
Cd2 O5 2.385(3) 2_666 ?
Cd2 Cl3 2.6385(12) 2_666 ?
Cd2 Cl3 2.6385(12) . ?
Cl1 Cd1 2.7271(11) 2_657 ?
O1 C1 1.209(5) . ?
O2 C1 1.310(5) . ?
O2 H2 0.8200 . ?
O3 C8 1.267(5) . ?
O3 Cd2 2.264(3) 1_645 ?
O4 C8 1.254(5) . ?
O4 Cd1 2.300(3) 2_756 ?
O5 C15 1.416(7) . ?
N1 C14 1.344(5) . ?
N1 C10 1.348(5) . ?
N1 C9 1.488(5) . ?
C1 C2 1.481(6) . ?
C2 C3 1.382(6) . ?
C2 C7 1.396(5) . ?
C3 C4 1.392(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.398(6) . ?
C4 C8 1.503(6) . ?
C5 C6 1.399(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.382(6) . ?
C6 C9 1.499(5) . ?
C7 H7 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.366(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.394(6) . ?
C12 C12 1.474(8) 2_765 ?
C13 C14 1.358(6) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 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
O4 Cd1 O1 81.50(11) 2_756 . ?
O4 Cd1 Cl2 90.05(8) 2_756 . ?
O1 Cd1 Cl2 171.37(8) . . ?
O4 Cd1 Cl3 90.76(8) 2_756 . ?
O1 Cd1 Cl3 86.35(7) . . ?
Cl2 Cd1 Cl3 95.54(4) . . ?
O4 Cd1 Cl1 169.06(8) 2_756 . ?
O1 Cd1 Cl1 91.20(8) . . ?
Cl2 Cd1 Cl1 96.92(4) . . ?
Cl3 Cd1 Cl1 96.92(4) . . ?
O4 Cd1 Cl1 88.55(8) 2_756 2_657 ?
O1 Cd1 Cl1 83.57(7) . 2_657 ?
Cl2 Cd1 Cl1 94.55(4) . 2_657 ?
Cl3 Cd1 Cl1 169.89(4) . 2_657 ?
Cl1 Cd1 Cl1 82.51(4) . 2_657 ?
O3 Cd2 O3 180.0 1_465 2_756 ?
O3 Cd2 O5 89.54(12) 1_465 . ?
O3 Cd2 O5 90.46(12) 2_756 . ?
O3 Cd2 O5 90.46(12) 1_465 2_666 ?
O3 Cd2 O5 89.54(12) 2_756 2_666 ?
O5 Cd2 O5 180.000(1) . 2_666 ?
O3 Cd2 Cl3 91.84(9) 1_465 2_666 ?
O3 Cd2 Cl3 88.16(9) 2_756 2_666 ?
O5 Cd2 Cl3 90.64(9) . 2_666 ?
O5 Cd2 Cl3 89.36(9) 2_666 2_666 ?
O3 Cd2 Cl3 88.16(9) 1_465 . ?
O3 Cd2 Cl3 91.84(9) 2_756 . ?
O5 Cd2 Cl3 89.36(9) . . ?
O5 Cd2 Cl3 90.64(9) 2_666 . ?
Cl3 Cd2 Cl3 180.0 2_666 . ?
Cd1 Cl1 Cd1 97.49(4) . 2_657 ?
Cd1 Cl3 Cd2 107.11(4) . . ?
C1 O1 Cd1 139.4(3) . . ?
C1 O2 H2 109.5 . . ?
C8 O3 Cd2 126.1(3) . 1_645 ?
C8 O4 Cd1 129.6(3) . 2_756 ?
C15 O5 Cd2 124.1(4) . . ?
C14 N1 C10 120.5(4) . . ?
C14 N1 C9 118.5(3) . . ?
C10 N1 C9 121.1(4) . . ?
O1 C1 O2 123.8(4) . . ?
O1 C1 C2 123.1(4) . . ?
O2 C1 C2 113.0(4) . . ?
C3 C2 C7 119.6(4) . . ?
C3 C2 C1 121.9(4) . . ?
C7 C2 C1 118.4(4) . . ?
C2 C3 C4 121.2(4) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C3 C4 C5 118.4(4) . . ?
C3 C4 C8 120.8(4) . . ?
C5 C4 C8 120.8(4) . . ?
C4 C5 C6 120.9(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 119.3(4) . . ?
C7 C6 C9 120.5(4) . . ?
C5 C6 C9 120.2(4) . . ?
C6 C7 C2 120.4(4) . . ?
C6 C7 H7 119.8 . . ?
C2 C7 H7 119.8 . . ?
O4 C8 O3 125.9(4) . . ?
O4 C8 C4 117.6(4) . . ?
O3 C8 C4 116.5(4) . . ?
N1 C9 C6 111.2(3) . . ?
N1 C9 H9A 109.4 . . ?
C6 C9 H9A 109.4 . . ?
N1 C9 H9B 109.4 . . ?
C6 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
N1 C10 C11 119.9(4) . . ?
N1 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 121.3(4) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C13 116.7(4) . . ?
C11 C12 C12 122.4(5) . 2_765 ?
C13 C12 C12 120.8(5) . 2_765 ?
C14 C13 C12 120.5(4) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
N1 C14 C13 121.0(4) . . ?
N1 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
O5 C15 H15A 109.5 . . ?
O5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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
O4 Cd1 Cl1 Cd1 35.5(4) 2_756 . . 2_657 ?
O1 Cd1 Cl1 Cd1 83.36(7) . . . 2_657 ?
Cl2 Cd1 Cl1 Cd1 -93.70(4) . . . 2_657 ?
Cl3 Cd1 Cl1 Cd1 169.82(4) . . . 2_657 ?
Cl1 Cd1 Cl1 Cd1 0.0 2_657 . . 2_657 ?
O4 Cd1 Cl3 Cd2 -11.35(9) 2_756 . . . ?
O1 Cd1 Cl3 Cd2 -92.78(8) . . . . ?
Cl2 Cd1 Cl3 Cd2 78.78(5) . . . . ?
Cl1 Cd1 Cl3 Cd2 176.46(4) . . . . ?
Cl1 Cd1 Cl3 Cd2 -97.4(2) 2_657 . . . ?
O3 Cd2 Cl3 Cd1 -138.40(9) 1_465 . . . ?
O3 Cd2 Cl3 Cd1 41.60(9) 2_756 . . . ?
O5 Cd2 Cl3 Cd1 -48.84(9) . . . . ?
O5 Cd2 Cl3 Cd1 131.16(9) 2_666 . . . ?
Cl3 Cd2 Cl3 Cd1 86(100) 2_666 . . . ?
O4 Cd1 O1 C1 63.8(4) 2_756 . . . ?
Cl2 Cd1 O1 C1 52.2(8) . . . . ?
Cl3 Cd1 O1 C1 155.2(4) . . . . ?
Cl1 Cd1 O1 C1 -108.0(4) . . . . ?
Cl1 Cd1 O1 C1 -25.7(4) 2_657 . . . ?
O3 Cd2 O5 C15 -118.9(4) 1_465 . . . ?
O3 Cd2 O5 C15 61.1(4) 2_756 . . . ?
O5 Cd2 O5 C15 124(100) 2_666 . . . ?
Cl3 Cd2 O5 C15 -27.1(4) 2_666 . . . ?
Cl3 Cd2 O5 C15 152.9(4) . . . . ?
Cd1 O1 C1 O2 43.6(7) . . . . ?
Cd1 O1 C1 C2 -137.4(4) . . . . ?
O1 C1 C2 C3 173.4(4) . . . . ?
O2 C1 C2 C3 -7.4(6) . . . . ?
O1 C1 C2 C7 -3.9(6) . . . . ?
O2 C1 C2 C7 175.3(4) . . . . ?
C7 C2 C3 C4 1.2(6) . . . . ?
C1 C2 C3 C4 -176.1(4) . . . . ?
C2 C3 C4 C5 -2.3(6) . . . . ?
C2 C3 C4 C8 174.8(4) . . . . ?
C3 C4 C5 C6 1.3(6) . . . . ?
C8 C4 C5 C6 -175.8(4) . . . . ?
C4 C5 C6 C7 0.7(6) . . . . ?
C4 C5 C6 C9 178.5(4) . . . . ?
C5 C6 C7 C2 -1.8(6) . . . . ?
C9 C6 C7 C2 -179.6(4) . . . . ?
C3 C2 C7 C6 0.9(6) . . . . ?
C1 C2 C7 C6 178.3(4) . . . . ?
Cd1 O4 C8 O3 -69.8(6) 2_756 . . . ?
Cd1 O4 C8 C4 109.3(4) 2_756 . . . ?
Cd2 O3 C8 O4 -6.1(7) 1_645 . . . ?
Cd2 O3 C8 C4 174.8(3) 1_645 . . . ?
C3 C4 C8 O4 -177.1(4) . . . . ?
C5 C4 C8 O4 -0.1(6) . . . . ?
C3 C4 C8 O3 2.1(6) . . . . ?
C5 C4 C8 O3 179.1(4) . . . . ?
C14 N1 C9 C6 -69.4(5) . . . . ?
C10 N1 C9 C6 110.1(4) . . . . ?
C7 C6 C9 N1 99.8(4) . . . . ?
C5 C6 C9 N1 -77.9(5) . . . . ?
C14 N1 C10 C11 0.7(6) . . . . ?
C9 N1 C10 C11 -178.8(4) . . . . ?
N1 C10 C11 C12 -1.8(6) . . . . ?
C10 C11 C12 C13 1.8(6) . . . . ?
C10 C11 C12 C12 -178.2(5) . . . 2_765 ?
C11 C12 C13 C14 -0.7(6) . . . . ?
C12 C12 C13 C14 179.3(4) 2_765 . . . ?
C10 N1 C14 C13 0.4(6) . . . . ?
C9 N1 C14 C13 179.9(4) . . . . ?
C12 C13 C14 N1 -0.3(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.677
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.101
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1859388'
_audit_update_record             
;
2018-07-31 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_audit_creation_date             2017-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5289)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.09(C32 H26 Eu2 N6 O24)'
_chemical_formula_sum            'C2.91 H2.36 Eu0.18 N0.55 O2.18'
_chemical_formula_weight         107.50
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.0365(4)
_cell_length_b                   9.9090(7)
_cell_length_c                   12.1201(8)
_cell_angle_alpha                94.619(6)
_cell_angle_beta                 95.775(5)
_cell_angle_gamma                94.636(5)
_cell_volume                     953.29(10)
_cell_formula_units_Z            11
_cell_measurement_reflns_used    4598
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.566
_cell_measurement_theta_min      3.994
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.365
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.64425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.060
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             578
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1168
_diffrn_reflns_av_unetI/netI     0.1014
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11611
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.368
_diffrn_reflns_theta_min         3.393
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3080
_reflns_number_total             3884
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.699
_refine_diff_density_min         -3.430
_refine_diff_density_rms         0.493
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3884
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0689
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1235P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1663
_refine_ls_wR_factor_ref         0.2144
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C16(H16A,H16B), C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C3(H3), C5(H5), C10(H10), C11(H11), C13(H13), C14(H14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.13183(5) 0.98041(4) 0.77490(4) 0.0386(2) Uani 1 1 d . . . . .
C7 C 0.1585(12) 0.4979(9) 0.8976(8) 0.039(2) Uani 1 1 d . . . . .
H7 H 0.098279 0.486629 0.827372 0.047 Uiso 1 1 calc R . . . .
O2 O 0.0424(10) 0.7339(7) 0.8071(6) 0.0469(17) Uani 1 1 d . . . . .
O1 O 0.1891(11) 0.8655(7) 0.9431(6) 0.0508(18) Uani 1 1 d . . . . .
C6 C 0.2135(12) 0.3865(9) 0.9455(7) 0.037(2) Uani 1 1 d . . . . .
N1 N 0.2962(10) 0.5313(8) 1.3083(6) 0.0379(18) Uani 1 1 d . . . . .
C3 C 0.2807(12) 0.6401(9) 1.0560(8) 0.038(2) Uani 1 1 d . . . . .
H3 H 0.307073 0.726814 1.092028 0.046 Uiso 1 1 calc R . . . .
C12 C 0.0633(14) 0.5086(11) 1.4586(8) 0.044(2) Uani 1 1 d . . . . .
C2 C 0.1913(13) 0.6263(10) 0.9522(8) 0.043(2) Uani 1 1 d . . . . .
C1 C 0.1330(14) 0.7490(11) 0.8987(8) 0.046(2) Uani 1 1 d . . . . .
C4 C 0.3322(12) 0.5307(11) 1.1082(8) 0.042(2) Uani 1 1 d . . . . .
C5 C 0.3010(12) 0.4001(9) 1.0519(9) 0.040(2) Uani 1 1 d . . . . .
H5 H 0.337666 0.324536 1.084699 0.048 Uiso 1 1 calc R . . . .
C9 C 0.4240(14) 0.5484(11) 1.2259(8) 0.045(2) Uani 1 1 d . . . . .
H9A H 0.504492 0.481070 1.234035 0.054 Uiso 1 1 calc R . . . .
H9B H 0.484262 0.637958 1.239793 0.054 Uiso 1 1 calc R . . . .
C10 C 0.1857(17) 0.6260(12) 1.3223(9) 0.056(3) Uani 1 1 d . . . . .
H10 H 0.188928 0.700906 1.280730 0.067 Uiso 1 1 calc R . . . .
C11 C 0.0696(16) 0.6131(12) 1.3966(9) 0.056(3) Uani 1 1 d . . . . .
H11 H -0.006220 0.678562 1.403935 0.067 Uiso 1 1 calc R . . . .
C13 C 0.1706(14) 0.4095(12) 1.4410(11) 0.057(3) Uani 1 1 d . . . . .
H13 H 0.163796 0.332065 1.479445 0.068 Uiso 1 1 calc R . . . .
C14 C 0.2877(14) 0.4247(12) 1.3669(10) 0.054(3) Uani 1 1 d . . . . .
H14 H 0.362371 0.358672 1.357746 0.065 Uiso 1 1 calc R . . . .
O3 O 0.0960(10) 0.2311(7) 0.7928(6) 0.054(2) Uani 1 1 d . . . . .
C8 C 0.1791(13) 0.2457(9) 0.8853(8) 0.039(2) Uani 1 1 d . . . . .
O4 O 0.2356(11) 0.1466(7) 0.9301(6) 0.054(2) Uani 1 1 d . . . . .
O7 O 0.1815(10) 1.0964(8) 0.5845(6) 0.0541(19) Uani 1 1 d . . . . .
O8 O 0.3874(9) 1.1124(8) 0.7156(6) 0.0536(19) Uani 1 1 d . . . . .
O5 O -0.1276(9) 0.9499(8) 0.6475(6) 0.0506(18) Uani 1 1 d . . . . .
O6 O -0.1228(10) 1.0065(9) 0.8629(7) 0.059(2) Uani 1 1 d . . . . .
C16 C -0.2850(13) 0.9765(14) 0.6845(9) 0.057(3) Uani 1 1 d . . . . .
H16A H -0.374523 0.917414 0.641430 0.068 Uiso 1 1 calc R . . . .
H16B H -0.306549 1.070102 0.675256 0.068 Uiso 1 1 calc R . . . .
C15 C -0.2784(15) 0.9516(16) 0.8031(10) 0.066(3) Uani 1 1 d . . . . .
H15A H -0.369823 0.992580 0.835591 0.080 Uiso 1 1 calc R . . . .
H15B H -0.292747 0.854467 0.809510 0.080 Uiso 1 1 calc R . . . .
O11 O 0.3641(10) 0.8188(8) 0.7482(8) 0.065(2) Uani 1 1 d . . . . .
O9 O 0.4181(12) 1.2078(10) 0.5649(7) 0.070(2) Uani 1 1 d . . . . .
N3 N 0.3309(12) 1.1409(10) 0.6194(8) 0.050(2) Uani 1 1 d . . . . .
O10 O 0.1749(11) 0.8184(9) 0.6097(7) 0.063(2) Uani 1 1 d . . . . .
O12 O 0.3479(14) 0.6633(11) 0.6140(9) 0.091(4) Uani 1 1 d . . . . .
N2 N 0.2960(12) 0.7630(10) 0.6551(9) 0.057(2) Uani 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 O2 2.562(7) . ?
Eu1 O1 2.436(7) . ?
Eu1 C1 2.839(10) . ?
Eu1 O3 2.518(7) 1_565 ?
Eu1 C8 2.831(9) 1_565 ?
Eu1 O4 2.431(7) 1_565 ?
Eu1 O7 2.710(8) . ?
Eu1 O8 2.542(8) . ?
Eu1 O5 2.449(7) . ?
Eu1 O6 2.423(8) . ?
Eu1 O11 2.584(8) . ?
Eu1 O10 2.533(8) . ?
C7 H7 0.9300 . ?
C7 C6 1.370(13) . ?
C7 C2 1.379(13) . ?
O2 C1 1.257(12) . ?
O1 C1 1.262(12) . ?
C6 C5 1.397(14) . ?
C6 C8 1.513(12) . ?
N1 C9 1.512(13) . ?
N1 C10 1.356(13) . ?
N1 C14 1.321(14) . ?
C3 H3 0.9300 . ?
C3 C2 1.376(14) . ?
C3 C4 1.370(14) . ?
C12 C12 1.51(2) 2_568 ?
C12 C11 1.328(15) . ?
C12 C13 1.376(15) . ?
C2 C1 1.509(14) . ?
C4 C5 1.405(14) . ?
C4 C9 1.529(13) . ?
C5 H5 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10 0.9300 . ?
C10 C11 1.366(17) . ?
C11 H11 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.373(16) . ?
C14 H14 0.9300 . ?
O3 Eu1 2.518(7) 1_545 ?
O3 C8 1.237(12) . ?
C8 Eu1 2.831(9) 1_545 ?
C8 O4 1.254(11) . ?
O4 Eu1 2.431(7) 1_545 ?
O7 N3 1.263(12) . ?
O8 N3 1.270(11) . ?
O5 C16 1.422(13) . ?
O6 C15 1.424(14) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C15 1.474(17) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
O11 N2 1.267(12) . ?
O9 N3 1.207(12) . ?
O10 N2 1.256(12) . ?
O12 N2 1.195(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Eu1 C1 26.3(3) . . ?
O2 Eu1 C8 141.6(3) . 1_565 ?
O2 Eu1 O7 130.6(2) . . ?
O2 Eu1 O11 66.8(3) . . ?
O1 Eu1 O2 52.1(2) . . ?
O1 Eu1 C1 26.3(3) . . ?
O1 Eu1 O3 119.0(2) . 1_565 ?
O1 Eu1 C8 95.0(3) . 1_565 ?
O1 Eu1 O7 160.2(3) . . ?
O1 Eu1 O8 114.2(3) . . ?
O1 Eu1 O5 126.4(3) . . ?
O1 Eu1 O11 70.3(3) . . ?
O1 Eu1 O10 107.9(3) . . ?
O3 Eu1 O2 152.0(3) 1_565 . ?
O3 Eu1 C1 142.1(3) 1_565 . ?
O3 Eu1 C8 25.9(3) 1_565 1_565 ?
O3 Eu1 O7 68.0(2) 1_565 . ?
O3 Eu1 O8 70.1(3) 1_565 . ?
O3 Eu1 O11 139.6(3) 1_565 . ?
O3 Eu1 O10 132.0(3) 1_565 . ?
C8 Eu1 C1 120.5(3) 1_565 . ?
O4 Eu1 O2 121.0(2) 1_565 . ?
O4 Eu1 O1 70.2(2) 1_565 . ?
O4 Eu1 C1 96.4(3) 1_565 . ?
O4 Eu1 O3 52.1(2) 1_565 1_565 ?
O4 Eu1 C8 26.2(3) 1_565 1_565 ?
O4 Eu1 O7 107.6(3) 1_565 . ?
O4 Eu1 O8 73.8(3) 1_565 . ?
O4 Eu1 O5 133.1(2) 1_565 . ?
O4 Eu1 O11 107.3(3) 1_565 . ?
O4 Eu1 O10 152.2(3) 1_565 . ?
O7 Eu1 C1 149.7(3) . . ?
O7 Eu1 C8 87.3(3) . 1_565 ?
O8 Eu1 O2 137.3(2) . . ?
O8 Eu1 C1 126.4(3) . . ?
O8 Eu1 C8 69.3(3) . 1_565 ?
O8 Eu1 O7 48.5(2) . . ?
O8 Eu1 O11 70.6(2) . . ?
O5 Eu1 O2 81.9(3) . . ?
O5 Eu1 C1 106.4(3) . . ?
O5 Eu1 O3 87.8(3) . 1_565 ?
O5 Eu1 C8 111.2(3) . 1_565 ?
O5 Eu1 O7 70.2(3) . . ?
O5 Eu1 O8 118.6(3) . . ?
O5 Eu1 O11 119.5(3) . . ?
O5 Eu1 O10 71.4(3) . . ?
O6 Eu1 O2 78.6(3) . . ?
O6 Eu1 O1 78.6(3) . . ?
O6 Eu1 C1 81.0(3) . . ?
O6 Eu1 O3 73.5(3) . 1_565 ?
O6 Eu1 C8 75.3(3) . 1_565 ?
O6 Eu1 O4 79.3(3) . 1_565 ?
O6 Eu1 O7 120.8(3) . . ?
O6 Eu1 O8 143.1(3) . . ?
O6 Eu1 O5 65.1(2) . . ?
O6 Eu1 O11 143.1(3) . . ?
O6 Eu1 O10 128.3(3) . . ?
O11 Eu1 C1 62.3(3) . . ?
O11 Eu1 C8 125.8(3) . 1_565 ?
O11 Eu1 O7 92.4(3) . . ?
O10 Eu1 O2 68.6(3) . . ?
O10 Eu1 C1 85.9(3) . . ?
O10 Eu1 C8 149.3(3) . 1_565 ?
O10 Eu1 O7 64.3(3) . . ?
O10 Eu1 O8 82.5(3) . . ?
O10 Eu1 O11 49.6(3) . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C2 121.0(9) . . ?
C2 C7 H7 119.5 . . ?
C1 O2 Eu1 89.3(6) . . ?
C1 O1 Eu1 95.0(6) . . ?
C7 C6 C5 120.7(8) . . ?
C7 C6 C8 121.1(8) . . ?
C5 C6 C8 118.2(8) . . ?
C10 N1 C9 119.9(9) . . ?
C14 N1 C9 121.5(8) . . ?
C14 N1 C10 118.6(9) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
C4 C3 C2 122.3(9) . . ?
C11 C12 C12 122.3(12) . 2_568 ?
C11 C12 C13 117.9(11) . . ?
C13 C12 C12 119.6(13) . 2_568 ?
C7 C2 C1 120.9(9) . . ?
C3 C2 C7 118.4(9) . . ?
C3 C2 C1 120.7(9) . . ?
O2 C1 Eu1 64.4(5) . . ?
O2 C1 O1 121.4(10) . . ?
O2 C1 C2 119.9(9) . . ?
O1 C1 Eu1 58.7(5) . . ?
O1 C1 C2 118.4(9) . . ?
C2 C1 Eu1 160.9(7) . . ?
C3 C4 C5 119.2(9) . . ?
C3 C4 C9 121.2(9) . . ?
C5 C4 C9 119.5(9) . . ?
C6 C5 C4 118.3(9) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
N1 C9 C4 108.7(8) . . ?
N1 C9 H9A 109.9 . . ?
N1 C9 H9B 109.9 . . ?
C4 C9 H9A 109.9 . . ?
C4 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
N1 C10 H10 119.5 . . ?
N1 C10 C11 121.0(10) . . ?
C11 C10 H10 119.5 . . ?
C12 C11 C10 121.0(10) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(11) . . ?
C14 C13 H13 119.9 . . ?
N1 C14 C13 121.1(10) . . ?
N1 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C8 O3 Eu1 91.3(6) . 1_545 ?
C6 C8 Eu1 177.2(7) . 1_545 ?
O3 C8 Eu1 62.8(5) . 1_545 ?
O3 C8 C6 119.1(9) . . ?
O3 C8 O4 121.5(9) . . ?
O4 C8 Eu1 58.8(5) . 1_545 ?
O4 C8 C6 119.4(9) . . ?
C8 O4 Eu1 95.0(6) . 1_545 ?
N3 O7 Eu1 93.2(6) . . ?
N3 O8 Eu1 101.1(6) . . ?
C16 O5 Eu1 121.5(6) . . ?
C15 O6 Eu1 118.2(7) . . ?
O5 C16 H16A 110.1 . . ?
O5 C16 H16B 110.1 . . ?
O5 C16 C15 107.9(10) . . ?
H16A C16 H16B 108.4 . . ?
C15 C16 H16A 110.1 . . ?
C15 C16 H16B 110.1 . . ?
O6 C15 C16 111.3(11) . . ?
O6 C15 H15A 109.4 . . ?
O6 C15 H15B 109.4 . . ?
C16 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
N2 O11 Eu1 94.8(6) . . ?
O7 N3 Eu1 62.4(5) . . ?
O7 N3 O8 117.2(9) . . ?
O8 N3 Eu1 54.8(5) . . ?
O9 N3 Eu1 175.0(8) . . ?
O9 N3 O7 122.4(10) . . ?
O9 N3 O8 120.4(10) . . ?
N2 O10 Eu1 97.5(6) . . ?
O11 N2 Eu1 60.0(5) . . ?
O10 N2 Eu1 57.7(5) . . ?
O10 N2 O11 116.7(9) . . ?
O12 N2 Eu1 170.8(10) . . ?
O12 N2 O11 120.3(11) . . ?
O12 N2 O10 123.0(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O2 C1 O1 14.9(11) . . . . ?
Eu1 O2 C1 C2 -159.0(9) . . . . ?
Eu1 O1 C1 O2 -15.7(11) . . . . ?
Eu1 O1 C1 C2 158.2(8) . . . . ?
Eu1 O3 C8 C6 177.6(8) 1_545 . . . ?
Eu1 O3 C8 O4 -2.2(11) 1_545 . . . ?
Eu1 O7 N3 O8 1.5(9) . . . . ?
Eu1 O7 N3 O9 -178.3(10) . . . . ?
Eu1 O8 N3 O7 -1.7(10) . . . . ?
Eu1 O8 N3 O9 178.2(9) . . . . ?
Eu1 O5 C16 C15 -29.0(14) . . . . ?
Eu1 O6 C15 C16 -41.1(14) . . . . ?
Eu1 O11 N2 O10 11.2(11) . . . . ?
Eu1 O11 N2 O12 -169.4(11) . . . . ?
Eu1 O10 N2 O11 -11.4(11) . . . . ?
Eu1 O10 N2 O12 169.1(12) . . . . ?
C7 C6 C5 C4 -0.5(14) . . . . ?
C7 C6 C8 O3 -2.0(15) . . . . ?
C7 C6 C8 O4 177.8(10) . . . . ?
C7 C2 C1 Eu1 -92(2) . . . . ?
C7 C2 C1 O2 5.6(15) . . . . ?
C7 C2 C1 O1 -168.5(10) . . . . ?
C6 C7 C2 C3 0.0(15) . . . . ?
C6 C7 C2 C1 179.1(9) . . . . ?
C6 C8 O4 Eu1 -177.5(8) . . . 1_545 ?
N1 C10 C11 C12 1.1(19) . . . . ?
C3 C2 C1 Eu1 87(2) . . . . ?
C3 C2 C1 O2 -175.4(10) . . . . ?
C3 C2 C1 O1 10.5(15) . . . . ?
C3 C4 C5 C6 -1.9(14) . . . . ?
C3 C4 C9 N1 92.7(11) . . . . ?
C12 C12 C11 C10 -180.0(12) 2_568 . . . ?
C12 C12 C13 C14 -179.3(12) 2_568 . . . ?
C12 C13 C14 N1 -2.4(19) . . . . ?
C2 C7 C6 C5 1.4(15) . . . . ?
C2 C7 C6 C8 -179.4(9) . . . . ?
C2 C3 C4 C5 3.5(15) . . . . ?
C2 C3 C4 C9 -177.0(10) . . . . ?
C4 C3 C2 C7 -2.5(15) . . . . ?
C4 C3 C2 C1 178.4(10) . . . . ?
C5 C6 C8 O3 177.2(9) . . . . ?
C5 C6 C8 O4 -3.0(14) . . . . ?
C5 C4 C9 N1 -87.7(11) . . . . ?
C9 N1 C10 C11 -179.7(10) . . . . ?
C9 N1 C14 C13 -179.6(10) . . . . ?
C9 C4 C5 C6 178.5(9) . . . . ?
C10 N1 C9 C4 -68.7(12) . . . . ?
C10 N1 C14 C13 -0.4(17) . . . . ?
C11 C12 C13 C14 4.5(17) . . . . ?
C13 C12 C11 C10 -3.8(18) . . . . ?
C14 N1 C9 C4 110.5(11) . . . . ?
C14 N1 C10 C11 1.1(17) . . . . ?
O3 C8 O4 Eu1 2.3(11) . . . 1_545 ?
C8 C6 C5 C4 -179.6(9) . . . . ?
O5 C16 C15 O6 43.2(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
