# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2084786'
loop_
_audit_author_name
_audit_author_address
'Gen Li'
;East China Normal University
China
;
_audit_update_record             
;
2021-05-20 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H50 Cl4 Eu2 N6 O17'
_chemical_formula_weight         1500.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   13.3224(5)
_cell_length_b                   16.8341(5)
_cell_length_c                   17.0487(8)
_cell_angle_alpha                105.416(3)
_cell_angle_beta                 108.352(4)
_cell_angle_gamma                106.645(3)
_cell_volume                     3199.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100.01(10)
_cell_measurement_reflns_used    9540
_cell_measurement_theta_min      3.7010
_cell_measurement_theta_max      60.7770

_exptl_crystal_description       Rod
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_F_000             1492
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    16.006
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.08111
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100.01(10)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            76957
_diffrn_reflns_av_unetI/netI     0.0865
_diffrn_reflns_av_R_equivalents  0.1290
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.280
_diffrn_reflns_theta_max         67.078
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             11368
_reflns_number_gt                7800
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.1036P)²+34.4410P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11368
_refine_ls_number_parameters     852
_refine_ls_number_restraints     145
_refine_ls_R_factor_all          0.1322
_refine_ls_R_factor_gt           0.0975
_refine_ls_wR_factor_ref         0.2571
_refine_ls_wR_factor_gt          0.2356
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.000
_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 0.51805(8) -0.24223(5) -0.71934(7) 0.0706(3) Uani 1 1 d D . . . .
Eu2 Eu 0.25910(7) -0.56552(5) -0.69321(5) 0.0513(2) Uani 1 1 d D . . . .
C1 C -0.3003(11) -0.2416(8) 0.2260(10) 0.056(3) Uani 1 1 d . . . . .
C2 C -0.2029(11) -0.2493(8) 0.2075(9) 0.051(3) Uani 1 1 d . . . . .
C3 C -0.0944(10) -0.1782(7) 0.2528(8) 0.042(3) Uani 1 1 d . . . . .
H3A H -0.0845 -0.1237 0.2928 0.051 Uiso 1 1 calc R U . . .
C4 C -0.0135(10) -0.2693(7) 0.1792(8) 0.044(3) Uani 1 1 d . . . . .
C5 C -0.0028(10) -0.1879(7) 0.2388(8) 0.048(3) Uani 1 1 d . . . . .
H5A H 0.0690 -0.1395 0.2694 0.058 Uiso 1 1 calc R U . . .
C6 C -0.1254(12) -0.3388(8) 0.1321(9) 0.055(3) Uani 1 1 d . . . . .
H6A H -0.1368 -0.3925 0.0898 0.066 Uiso 1 1 calc R U . . .
C7 C -0.2174(11) -0.3301(8) 0.1465(10) 0.057(3) Uani 1 1 d . . . . .
H7A H -0.2897 -0.3781 0.1157 0.068 Uiso 1 1 calc R U . . .
C8 C 0.0890(12) -0.2805(8) 0.1666(9) 0.056(3) Uani 1 1 d . . . . .
H8A H 0.1525 -0.2592 0.2250 0.068 Uiso 1 1 calc R U . . .
H8B H 0.0692 -0.3440 0.1356 0.068 Uiso 1 1 calc R U . . .
C9 C 0.2040(9) -0.1433(7) 0.1592(8) 0.042(3) Uani 1 1 d . . . . .
H9A H 0.2388 -0.1188 0.2217 0.050 Uiso 1 1 calc R U . . .
C10 C 0.2310(10) -0.0917(7) 0.1141(8) 0.043(3) Uani 1 1 d . . . . .
H10A H 0.2848 -0.0322 0.1457 0.052 Uiso 1 1 calc R U . . .
C11 C 0.1794(9) -0.1265(7) 0.0216(7) 0.037(2) Uani 1 1 d . . . . .
C12 C 0.1029(9) -0.2166(6) -0.0231(7) 0.036(2) Uani 1 1 d . . . . .
H12A H 0.0691 -0.2428 -0.0856 0.043 Uiso 1 1 calc R U . . .
C13 C 0.0774(9) -0.2666(7) 0.0247(8) 0.040(3) Uani 1 1 d . . . . .
H13A H 0.0251 -0.3265 -0.0055 0.048 Uiso 1 1 calc R U . . .
C14 C 0.2032(9) -0.0685(7) -0.0268(7) 0.036(2) Uani 1 1 d . . . . .
C15 C 0.2870(10) 0.0691(7) -0.0239(8) 0.042(3) Uani 1 1 d . . . . .
C16 C 0.1840(9) -0.0488(7) -0.1565(7) 0.038(2) Uani 1 1 d . . . . .
C17 C 0.1366(11) -0.0837(8) -0.2547(8) 0.049(3) Uani 1 1 d . . . . .
C18 C 0.1697(11) -0.0293(8) -0.2975(8) 0.049(3) Uani 1 1 d . . . . .
H18A H 0.2240 0.0297 -0.2635 0.059 Uiso 1 1 calc R U . . .
C19 C 0.1236(13) -0.0606(9) -0.3902(9) 0.057(3) Uani 1 1 d . . . . .
H19A H 0.1428 -0.0219 -0.4182 0.069 Uiso 1 1 calc R U . . .
C20 C 0.0064(14) -0.1828(11) -0.5400(9) 0.069(4) Uani 1 1 d . . . . .
H20A H -0.0721 -0.2278 -0.5662 0.083 Uiso 1 1 calc R U . . .
H20B H 0.0054 -0.1349 -0.5613 0.083 Uiso 1 1 calc R U . . .
C21 C 0.0167(13) -0.2037(10) -0.3988(10) 0.066(4) Uani 1 1 d . . . . .
H21A H -0.0374 -0.2626 -0.4342 0.079 Uiso 1 1 calc R U . . .
C22 C 0.0612(12) -0.1736(8) -0.3087(8) 0.057(3) Uani 1 1 d . . . . .
H22A H 0.0415 -0.2133 -0.2818 0.068 Uiso 1 1 calc R U . . .
C23 C 0.3590(9) 0.1680(7) 0.0283(8) 0.044(3) Uani 1 1 d . . . . .
C24 C 0.4024(9) 0.2031(7) 0.1208(8) 0.044(3) Uani 1 1 d . . . . .
H24A H 0.3851 0.1667 0.1514 0.052 Uiso 1 1 calc R U . . .
C25 C 0.4717(11) 0.2932(8) 0.1661(10) 0.056(3) Uani 1 1 d . . . . .
H25A H 0.5018 0.3186 0.2285 0.067 Uiso 1 1 calc R U . . .
C26 C 0.4538(12) 0.3118(9) 0.0330(10) 0.059(3) Uani 1 1 d . . . . .
H26A H 0.4720 0.3492 0.0035 0.070 Uiso 1 1 calc R U . . .
C27 C 0.3836(11) 0.2230(8) -0.0154(9) 0.052(3) Uani 1 1 d . . . . .
H27A H 0.3524 0.1999 -0.0778 0.062 Uiso 1 1 calc R U . . .
C28 C 0.5892(12) 0.4397(8) 0.1747(12) 0.074(4) Uani 1 1 d . . . . .
H28A H 0.5792 0.4767 0.1404 0.089 Uiso 1 1 calc R U . . .
H28B H 0.5840 0.4665 0.2304 0.089 Uiso 1 1 calc R U . . .
C29 C 0.7024(12) 0.4354(8) 0.1940(11) 0.062(4) Uani 1 1 d . . . . .
C30 C 0.7532(12) 0.4367(9) 0.1359(12) 0.070(4) Uani 1 1 d . . . . .
H30A H 0.7173 0.4438 0.0834 0.084 Uiso 1 1 calc R U . . .
C31 C 0.8573(11) 0.4275(9) 0.1537(10) 0.057(3) Uani 1 1 d . . . . .
H31A H 0.8899 0.4294 0.1130 0.068 Uiso 1 1 calc R U . . .
C32 C 0.9122(10) 0.4160(7) 0.2276(9) 0.051(3) Uani 1 1 d . . . . .
C33 C 0.8633(14) 0.4160(13) 0.2890(11) 0.092(5) Uani 1 1 d . . . . .
H33A H 0.9003 0.4080 0.3407 0.110 Uiso 1 1 calc R U . . .
C34 C 0.7618(14) 0.4276(14) 0.2755(13) 0.107(7) Uani 1 1 d . . . . .
H34A H 0.7326 0.4302 0.3185 0.128 Uiso 1 1 calc R U . . .
C35 C 1.0245(11) 0.4102(8) 0.2498(9) 0.058(3) Uani 1 1 d . . . . .
C36 C 0.0816(12) -0.2244(9) -0.5678(8) 0.056(3) Uani 1 1 d . . . . .
C37 C 0.1935(13) -0.1680(9) -0.5590(9) 0.063(4) Uani 1 1 d . . . . .
H37A H 0.2194 -0.1057 -0.5330 0.076 Uiso 1 1 calc R U . . .
C38 C 0.2600(12) -0.2027(9) -0.5870(9) 0.059(3) Uani 1 1 d . . . . .
H38A H 0.3275 -0.1646 -0.5853 0.071 Uiso 1 1 calc R U . . .
C39 C 0.2298(11) -0.2953(7) -0.6188(8) 0.049(3) Uani 1 1 d . . . . .
C40 C 0.1219(12) -0.3496(8) -0.6311(9) 0.063(4) Uani 1 1 d . . . . .
H40A H 0.0959 -0.4119 -0.6580 0.076 Uiso 1 1 calc R U . . .
C41 C 0.0519(13) -0.3135(10) -0.6043(10) 0.074(4) Uani 1 1 d . . . . .
H41A H -0.0191 -0.3525 -0.6118 0.088 Uiso 1 1 calc R U . . .
C42 C 0.3023(12) -0.3351(8) -0.6521(9) 0.060(3) Uani 1 1 d . . . . .
C43 C 0.1914(10) -0.7332(7) -0.8856(9) 0.049(3) Uani 1 1 d . . . . .
C44 C 0.1192(9) -0.8348(7) -0.9418(8) 0.044(3) Uani 1 1 d . . . . .
C45 C 0.0897(10) -0.8903(7) -0.8992(9) 0.046(3) Uani 1 1 d . . . . .
H45A H 0.1140 -0.8675 -0.8373 0.055 Uiso 1 1 calc R U . . .
C46 C 0.0794(10) -0.8661(7) -1.0352(8) 0.046(3) Uani 1 1 d . . . . .
H46A H 0.1008 -0.8261 -1.0614 0.055 Uiso 1 1 calc R U . . .
C47 C 0.0096(10) -0.9549(8) -1.0886(8) 0.048(3) Uani 1 1 d . . . . .
H47A H -0.0178 -0.9753 -1.1507 0.058 Uiso 1 1 calc R U . . .
C48 C -0.0200(10) -1.0149(7) -1.0471(8) 0.044(3) Uani 1 1 d . . . . .
O9 O 0.493(2) -0.1519(16) -0.792(2) 0.050(7) Uani 0.5 1 d D U P A -1
O10 O 0.362(4) -0.246(2) -0.936(3) 0.073(12) Uani 0.5 1 d D . P A -1
C49 C 0.436(3) -0.172(2) -0.871(2) 0.058(8) Uani 0.5 1 d D U P A -1
C50 C 0.474(2) -0.093(2) -0.901(2) 0.058(7) Uani 0.5 1 d D U P A -1
C55 C 0.440(2) -0.113(2) -0.992(2) 0.076(8) Uani 0.5 1 d D U P A -1
H55A H 0.3955 -0.1712 -1.0365 0.092 Uiso 0.5 1 calc R U P A -1
C51 C 0.541(3) -0.005(2) -0.835(2) 0.066(7) Uani 0.5 1 d D U P A -1
H51A H 0.5640 0.0040 -0.7746 0.080 Uiso 0.5 1 calc R U P A -1
C52 C 0.574(3) 0.069(2) -0.8575(16) 0.068(8) Uani 0.5 1 d D U P A -1
H52A H 0.6124 0.1271 -0.8139 0.082 Uiso 0.5 1 calc R U P A -1
C53 C 0.547(2) 0.052(2) -0.9467(10) 0.056(7) Uani 0.5 1 d DG U P A -1
C54 C 0.481(2) -0.0355(17) -1.0108(14) 0.056(7) Uani 0.5 1 d DG U P A -1
C56 C 0.449(2) -0.0522(16) -1.1014(13) 0.068(8) Uani 0.5 1 d G U P A -1
H56A H 0.4042 -0.1107 -1.1443 0.082 Uiso 0.5 1 calc R U P A -1
C57 C 0.483(2) 0.018(2) -1.1279(11) 0.066(7) Uani 0.5 1 d G U P A -1
H57A H 0.4617 0.0073 -1.1885 0.080 Uiso 0.5 1 calc R U P A -1
C58 C 0.549(2) 0.1058(17) -1.0637(17) 0.058(7) Uani 0.5 1 d DG U P A -1
C59 C 0.581(2) 0.1226(16) -0.9732(15) 0.076(8) Uani 0.5 1 d G U P A -1
H59A H 0.6258 0.1810 -0.9303 0.092 Uiso 0.5 1 calc R U P A -1
C60 C 0.581(3) 0.188(3) -1.094(2) 0.058(8) Uani 0.5 1 d D U P A -1
O18 O 0.534(3) 0.174(2) -1.175(2) 0.077(11) Uani 0.5 1 d D U P A -1
O19 O 0.668(4) 0.262(3) -1.040(4) 0.084(14) Uani 0.5 1 d D . P A -1
N1 N 0.1269(8) -0.2302(6) 0.1144(6) 0.044(2) Uani 1 1 d . . . . .
N2 N 0.2687(7) 0.0179(5) 0.0221(6) 0.040(2) Uani 1 1 d . . . . .
N3 N 0.2463(8) 0.0393(6) -0.1130(6) 0.040(2) Uani 1 1 d . . . . .
N4 N 0.1616(8) -0.1058(6) -0.1173(6) 0.042(2) Uani 1 1 d . . . . .
N5 N 0.0529(10) -0.1449(8) -0.4383(7) 0.059(3) Uani 1 1 d . . . . .
N6 N 0.4965(9) 0.3452(6) 0.1218(9) 0.060(3) Uani 1 1 d . . . . .
O1 O -0.4038(8) -0.2976(6) 0.1726(7) 0.069(3) Uani 1 1 d . . . . .
O2 O -0.2831(8) -0.1775(6) 0.2957(7) 0.066(3) Uani 1 1 d . . . . .
O3 O 1.0699(8) 0.4083(6) 0.1945(6) 0.065(2) Uani 1 1 d . . . . .
O4 O 1.0799(9) 0.4080(9) 0.3225(7) 0.093(4) Uani 1 1 d . . . . .
O5 O 0.3811(11) -0.2837(7) -0.6635(9) 0.100(4) Uani 1 1 d . . . . .
O6 O 0.2807(8) -0.4178(5) -0.6696(7) 0.072(3) Uani 1 1 d . . . . .
O7 O 0.2097(7) -0.7041(5) -0.8026(6) 0.051(2) Uani 1 1 d . . . . .
O8 O 0.2278(7) -0.6889(5) -0.9253(6) 0.052(2) Uani 1 1 d D . . . .
O11 O 0.5117(10) -0.3884(7) -0.7276(9) 0.091(3) Uani 1 1 d D . . . .
H11A H 0.568(5) -0.390(2) -0.688(6) 0.136 Uiso 1 1 d D U . . .
H11B H 0.448(2) -0.4283(14) -0.737(3) 0.136 Uiso 1 1 d D U . . .
O12 O 0.3436(9) -0.3472(7) -0.8512(8) 0.093(3) Uani 1 1 d D . . . .
H12B H 0.339(3) -0.4000(12) -0.875(2) 0.140 Uiso 1 1 d D U . . .
H12C H 0.317(5) -0.328(3) -0.891(3) 0.140 Uiso 1 1 d D U . . .
O13 O 0.5603(15) -0.0952(8) -0.6203(13) 0.159(7) Uani 1 1 d D . . . .
H13B H 0.55(2) -0.093(3) -0.572(8) 0.238 Uiso 1 1 d D U . . .
H13C H 0.629(9) -0.056(4) -0.605(14) 0.238 Uiso 1 1 d D U . . .
O14 O 0.6462(12) -0.2239(8) -0.5719(9) 0.103(4) Uani 1 1 d D . . . .
H14A H 0.616(7) -0.222(12) -0.534(4) 0.154 Uiso 1 1 d D U . . .
H14B H 0.676(13) -0.263(8) -0.572(2) 0.154 Uiso 1 1 d D U . . .
O15 O 0.2960(9) -0.5310(5) -0.8159(7) 0.083(3) Uani 1 1 d D . . . .
H15A H 0.306(3) -0.5711(13) -0.8521(18) 0.124 Uiso 1 1 d D U . . .
H15B H 0.250(2) -0.512(3) -0.845(2) 0.124 Uiso 1 1 d D U . . .
O17 O 0.3384(17) -0.4810(11) -0.5335(9) 0.172(8) Uani 1 1 d D . . . .
H17A H 0.289(6) -0.472(16) -0.513(3) 0.258 Uiso 1 1 d D U . . .
H17B H 0.38(2) -0.502(11) -0.4998(16) 0.258 Uiso 1 1 d D U . . .
O16 O 0.2517(10) -0.6724(8) -0.6208(8) 0.091(3) Uani 1 1 d D . . . .
H16B H 0.204(11) -0.726(2) -0.654(3) 0.137 Uiso 1 1 d D U . . .
H16C H 0.249(15) -0.655(5) -0.570(5) 0.137 Uiso 1 1 d D U . . .
Cl1 Cl 0.4815(5) -0.5466(4) -0.6486(4) 0.1135(16) Uani 1 1 d . . . . .
Cl7 Cl 0.1364(4) 1.0444(2) 0.4447(3) 0.0859(11) Uani 1 1 d . . . . .
Cl2 Cl -0.0876(7) 0.4923(4) 0.9550(7) 0.032(3) Uani 0.390(15) 1 d . . P . .
Cl2' Cl -0.133(3) 0.474(2) 0.891(3) 0.043(13) Uani 0.110(15) 1 d . . P . .
Cl3 Cl 0.4302(12) 1.5245(8) 1.0490(9) 0.075(4) Uani 0.280(9) 1 d . . P . .
Cl4 Cl 0.3992(6) 1.1297(4) 1.2981(4) 0.0627(16) Uani 0.5 1 d . . P . .
Cl5 Cl 0.7507(7) 0.6270(4) 0.4261(4) 0.0678(17) Uani 0.5 1 d . . P . .
Cl6 Cl 0.1796(12) -0.8574(10) -0.6831(9) 0.058(5) Uani 0.220(9) 1 d . . P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O9 2.23(3) . ?
Eu1 O5 2.333(9) . ?
Eu1 O13 2.382(14) . ?
Eu1 O11 2.403(9) . ?
Eu1 O12 2.413(12) . ?
Eu1 O14 2.432(14) . ?
Eu1 O2 2.458(8) 1_654 ?
Eu1 O1 2.489(9) 1_654 ?
Eu1 C1 2.853(13) 1_654 ?
Eu1 C49 3.14(3) . ?
Eu2 O7 2.321(8) . ?
Eu2 O6 2.328(9) . ?
Eu2 O17 2.413(13) . ?
Eu2 O4 2.414(11) 1_444 ?
Eu2 O16 2.434(11) . ?
Eu2 O15 2.467(10) . ?
Eu2 O3 2.468(9) 1_444 ?
Eu2 Cl1 2.715(5) . ?
Eu2 C35 2.833(14) 1_444 ?
C1 O1 1.275(15) . ?
C1 O2 1.280(16) . ?
C1 C2 1.459(17) . ?
C1 Eu1 2.853(13) 1_456 ?
C2 C3 1.390(16) . ?
C2 C7 1.393(17) . ?
C3 C5 1.361(16) . ?
C3 H3A 0.9300 . ?
C4 C6 1.408(17) . ?
C4 C5 1.409(16) . ?
C4 C8 1.503(17) . ?
C5 H5A 0.9300 . ?
C6 C7 1.363(17) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 N1 1.483(14) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.352(15) . ?
C9 N1 1.353(13) . ?
C9 H9A 0.9300 . ?
C10 C11 1.377(15) . ?
C10 H10A 0.9300 . ?
C11 C12 1.389(14) . ?
C11 C14 1.467(14) . ?
C12 C13 1.366(14) . ?
C12 H12A 0.9300 . ?
C13 N1 1.336(14) . ?
C13 H13A 0.9300 . ?
C14 N2 1.320(13) . ?
C14 N4 1.353(14) . ?
C15 N2 1.332(14) . ?
C15 N3 1.332(14) . ?
C15 C23 1.497(15) . ?
C16 N4 1.326(13) . ?
C16 N3 1.326(13) . ?
C16 C17 1.466(16) . ?
C17 C18 1.376(16) . ?
C17 C22 1.397(17) . ?
C18 C19 1.383(17) . ?
C18 H18A 0.9300 . ?
C19 N5 1.304(17) . ?
C19 H19A 0.9300 . ?
C20 C36 1.497(18) . ?
C20 N5 1.519(17) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.345(18) . ?
C21 N5 1.396(17) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C23 C27 1.366(16) . ?
C23 C24 1.381(16) . ?
C24 C25 1.370(16) . ?
C24 H24A 0.9300 . ?
C25 N6 1.339(17) . ?
C25 H25A 0.9300 . ?
C26 N6 1.324(17) . ?
C26 C27 1.359(17) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C29 1.466(19) . ?
C28 N6 1.510(15) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.365(19) . ?
C29 C34 1.43(2) . ?
C30 C31 1.386(18) . ?
C30 H30A 0.9300 . ?
C31 C32 1.339(18) . ?
C31 H31A 0.9300 . ?
C32 C33 1.397(19) . ?
C32 C35 1.461(18) . ?
C33 C34 1.38(2) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
C35 O4 1.244(16) . ?
C35 O3 1.269(16) . ?
C35 Eu2 2.833(14) 1_666 ?
C36 C41 1.343(18) . ?
C36 C37 1.456(19) . ?
C37 C38 1.329(17) . ?
C37 H37A 0.9300 . ?
C38 C39 1.393(16) . ?
C38 H38A 0.9300 . ?
C39 C40 1.380(17) . ?
C39 C42 1.489(17) . ?
C40 C41 1.376(18) . ?
C40 H40A 0.9300 . ?
C41 H41A 0.9300 . ?
C42 O5 1.260(15) . ?
C42 O6 1.266(15) . ?
C43 O8 1.233(14) . ?
C43 O7 1.284(15) . ?
C43 C44 1.541(15) . ?
C44 C45 1.372(16) . ?
C44 C46 1.399(16) . ?
C45 C48 1.444(16) 2_533 ?
C45 H45A 0.9300 . ?
C46 C47 1.369(16) . ?
C46 H46A 0.9300 . ?
C47 C48 1.416(16) . ?
C47 H47A 0.9300 . ?
C48 C48 1.41(2) 2_533 ?
C48 C45 1.444(16) 2_533 ?
O9 C49 1.22(3) . ?
O10 C49 1.27(3) . ?
C49 C50 1.57(3) . ?
C50 C55 1.390(19) . ?
C50 C51 1.404(19) . ?
C55 C54 1.423(18) . ?
C55 H55A 0.9300 . ?
C51 C52 1.386(19) . ?
C51 H51A 0.9300 . ?
C52 C53 1.376(18) . ?
C52 H52A 0.9300 . ?
C53 C54 1.3900 . ?
C53 C59 1.3900 . ?
C54 C56 1.3900 . ?
C56 C57 1.3900 . ?
C56 H56A 0.9300 . ?
C57 C58 1.3900 . ?
C57 H57A 0.9300 . ?
C58 C59 1.3900 . ?
C58 C60 1.59(3) . ?
C59 H59A 0.9300 . ?
C60 O18 1.25(3) . ?
C60 O19 1.28(3) . ?
O1 Eu1 2.489(9) 1_456 ?
O2 Eu1 2.458(8) 1_456 ?
O3 Eu2 2.468(9) 1_666 ?
O4 Eu2 2.414(10) 1_666 ?
O11 H11A 0.86(2) . ?
O11 H11B 0.85(2) . ?
O12 H12B 0.85(2) . ?
O12 H12C 0.850(17) . ?
O13 H13B 0.86(2) . ?
O13 H13C 0.86(2) . ?
O14 H14A 0.86(2) . ?
O14 H14B 0.86(2) . ?
O15 H15A 0.861(17) . ?
O15 H15B 0.857(18) . ?
O17 H17A 0.86(2) . ?
O17 H17B 0.87(2) . ?
O16 H16B 0.85(2) . ?
O16 H16C 0.85(2) . ?
Cl2 Cl2' 0.98(4) . ?
Cl2 Cl2 2.25(2) 2_567 ?

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
O9 Eu1 O5 114.1(9) . . ?
O9 Eu1 O13 67.8(9) . . ?
O5 Eu1 O13 82.3(5) . . ?
O9 Eu1 O11 147.8(8) . . ?
O5 Eu1 O11 80.0(4) . . ?
O13 Eu1 O11 144.4(6) . . ?
O9 Eu1 O12 80.5(7) . . ?
O5 Eu1 O12 75.8(4) . . ?
O13 Eu1 O12 129.3(5) . . ?
O11 Eu1 O12 75.2(4) . . ?
O9 Eu1 O14 136.0(7) . . ?
O5 Eu1 O14 81.0(5) . . ?
O13 Eu1 O14 74.3(6) . . ?
O11 Eu1 O14 72.6(4) . . ?
O12 Eu1 O14 143.0(4) . . ?
O9 Eu1 O2 82.4(8) . 1_654 ?
O5 Eu1 O2 153.4(4) . 1_654 ?
O13 Eu1 O2 85.5(4) . 1_654 ?
O11 Eu1 O2 97.0(3) . 1_654 ?
O12 Eu1 O2 129.3(4) . 1_654 ?
O14 Eu1 O2 72.9(4) . 1_654 ?
O9 Eu1 O1 83.6(9) . 1_654 ?
O5 Eu1 O1 145.0(3) . 1_654 ?
O13 Eu1 O1 132.6(4) . 1_654 ?
O11 Eu1 O1 71.1(3) . 1_654 ?
O12 Eu1 O1 78.1(4) . 1_654 ?
O14 Eu1 O1 107.7(4) . 1_654 ?
O2 Eu1 O1 52.8(3) 1_654 1_654 ?
O9 Eu1 C1 85.2(9) . 1_654 ?
O5 Eu1 C1 160.1(4) . 1_654 ?
O13 Eu1 C1 110.8(5) . 1_654 ?
O11 Eu1 C1 80.9(3) . 1_654 ?
O12 Eu1 C1 104.4(4) . 1_654 ?
O14 Eu1 C1 88.1(4) . 1_654 ?
O2 Eu1 C1 26.6(3) 1_654 1_654 ?
O1 Eu1 C1 26.5(3) 1_654 1_654 ?
O9 Eu1 C49 17.7(9) . . ?
O5 Eu1 C49 112.9(7) . . ?
O13 Eu1 C49 84.5(8) . . ?
O11 Eu1 C49 130.9(8) . . ?
O12 Eu1 C49 63.9(7) . . ?
O14 Eu1 C49 153.1(7) . . ?
O2 Eu1 C49 89.2(6) 1_654 . ?
O1 Eu1 C49 74.7(7) 1_654 . ?
C1 Eu1 C49 84.0(6) 1_654 . ?
O7 Eu2 O6 143.6(3) . . ?
O7 Eu2 O17 144.1(4) . . ?
O6 Eu2 O17 72.0(5) . . ?
O7 Eu2 O4 99.9(4) . 1_444 ?
O6 Eu2 O4 88.0(4) . 1_444 ?
O17 Eu2 O4 81.5(6) . 1_444 ?
O7 Eu2 O16 73.3(4) . . ?
O6 Eu2 O16 142.8(4) . . ?
O17 Eu2 O16 72.2(5) . . ?
O4 Eu2 O16 76.9(4) 1_444 . ?
O7 Eu2 O15 74.8(3) . . ?
O6 Eu2 O15 71.8(3) . . ?
O17 Eu2 O15 133.3(6) . . ?
O4 Eu2 O15 125.2(4) 1_444 . ?
O16 Eu2 O15 143.9(4) . . ?
O7 Eu2 O3 77.8(3) . 1_444 ?
O6 Eu2 O3 79.5(3) . 1_444 ?
O17 Eu2 O3 126.0(5) . 1_444 ?
O4 Eu2 O3 52.1(3) 1_444 1_444 ?
O16 Eu2 O3 114.4(4) . 1_444 ?
O15 Eu2 O3 74.0(4) . 1_444 ?
O7 Eu2 Cl1 85.9(2) . . ?
O6 Eu2 Cl1 100.7(3) . . ?
O17 Eu2 Cl1 80.9(5) . . ?
O4 Eu2 Cl1 156.9(3) 1_444 . ?
O16 Eu2 Cl1 83.5(3) . . ?
O15 Eu2 Cl1 77.9(3) . . ?
O3 Eu2 Cl1 150.3(3) 1_444 . ?
O7 Eu2 C35 91.6(3) . 1_444 ?
O6 Eu2 C35 80.2(3) . 1_444 ?
O17 Eu2 C35 102.4(5) . 1_444 ?
O4 Eu2 C35 25.9(3) 1_444 1_444 ?
O16 Eu2 C35 97.7(4) . 1_444 ?
O15 Eu2 C35 99.5(4) . 1_444 ?
O3 Eu2 C35 26.6(3) 1_444 1_444 ?
Cl1 Eu2 C35 176.7(3) . 1_444 ?
O1 C1 O2 118.8(12) . . ?
O1 C1 C2 121.0(13) . . ?
O2 C1 C2 120.3(12) . . ?
O1 C1 Eu1 60.6(7) . 1_456 ?
O2 C1 Eu1 59.2(6) . 1_456 ?
C2 C1 Eu1 170.5(9) . 1_456 ?
C3 C2 C7 119.4(11) . . ?
C3 C2 C1 120.9(11) . . ?
C7 C2 C1 119.7(11) . . ?
C5 C3 C2 120.3(11) . . ?
C5 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C6 C4 C5 116.2(11) . . ?
C6 C4 C8 122.2(11) . . ?
C5 C4 C8 121.5(11) . . ?
C3 C5 C4 121.9(11) . . ?
C3 C5 H5A 119.0 . . ?
C4 C5 H5A 119.0 . . ?
C7 C6 C4 122.2(12) . . ?
C7 C6 H6A 118.9 . . ?
C4 C6 H6A 118.9 . . ?
C6 C7 C2 119.8(12) . . ?
C6 C7 H7A 120.1 . . ?
C2 C7 H7A 120.1 . . ?
N1 C8 C4 112.1(9) . . ?
N1 C8 H8A 109.2 . . ?
C4 C8 H8A 109.2 . . ?
N1 C8 H8B 109.2 . . ?
C4 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C10 C9 N1 120.6(11) . . ?
C10 C9 H9A 119.7 . . ?
N1 C9 H9A 119.7 . . ?
C9 C10 C11 120.5(10) . . ?
C9 C10 H10A 119.8 . . ?
C11 C10 H10A 119.8 . . ?
C10 C11 C12 118.0(10) . . ?
C10 C11 C14 120.2(10) . . ?
C12 C11 C14 121.8(10) . . ?
C13 C12 C11 119.9(10) . . ?
C13 C12 H12A 120.1 . . ?
C11 C12 H12A 120.1 . . ?
N1 C13 C12 120.7(10) . . ?
N1 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
N2 C14 N4 123.7(9) . . ?
N2 C14 C11 117.0(10) . . ?
N4 C14 C11 119.2(9) . . ?
N2 C15 N3 125.1(9) . . ?
N2 C15 C23 117.8(10) . . ?
N3 C15 C23 117.1(10) . . ?
N4 C16 N3 124.7(10) . . ?
N4 C16 C17 118.8(10) . . ?
N3 C16 C17 116.5(10) . . ?
C18 C17 C22 117.1(12) . . ?
C18 C17 C16 120.6(11) . . ?
C22 C17 C16 122.2(11) . . ?
C17 C18 C19 121.3(12) . . ?
C17 C18 H18A 119.4 . . ?
C19 C18 H18A 119.4 . . ?
N5 C19 C18 119.6(12) . . ?
N5 C19 H19A 120.2 . . ?
C18 C19 H19A 120.2 . . ?
C36 C20 N5 109.5(11) . . ?
C36 C20 H20A 109.8 . . ?
N5 C20 H20A 109.8 . . ?
C36 C20 H20B 109.8 . . ?
N5 C20 H20B 109.8 . . ?
H20A C20 H20B 108.2 . . ?
C22 C21 N5 118.9(13) . . ?
C22 C21 H21A 120.6 . . ?
N5 C21 H21A 120.6 . . ?
C21 C22 C17 121.2(12) . . ?
C21 C22 H22A 119.4 . . ?
C17 C22 H22A 119.4 . . ?
C27 C23 C24 120.0(11) . . ?
C27 C23 C15 120.1(11) . . ?
C24 C23 C15 119.8(10) . . ?
C25 C24 C23 117.9(11) . . ?
C25 C24 H24A 121.0 . . ?
C23 C24 H24A 121.0 . . ?
N6 C25 C24 120.8(13) . . ?
N6 C25 H25A 119.6 . . ?
C24 C25 H25A 119.6 . . ?
N6 C26 C27 120.3(12) . . ?
N6 C26 H26A 119.8 . . ?
C27 C26 H26A 119.8 . . ?
C26 C27 C23 119.6(13) . . ?
C26 C27 H27A 120.2 . . ?
C23 C27 H27A 120.2 . . ?
C29 C28 N6 108.6(10) . . ?
C29 C28 H28A 110.0 . . ?
N6 C28 H28A 110.0 . . ?
C29 C28 H28B 110.0 . . ?
N6 C28 H28B 110.0 . . ?
H28A C28 H28B 108.4 . . ?
C30 C29 C34 118.0(14) . . ?
C30 C29 C28 122.5(16) . . ?
C34 C29 C28 119.5(14) . . ?
C29 C30 C31 121.3(15) . . ?
C29 C30 H30A 119.4 . . ?
C31 C30 H30A 119.4 . . ?
C32 C31 C30 122.0(13) . . ?
C32 C31 H31A 119.0 . . ?
C30 C31 H31A 119.0 . . ?
C31 C32 C33 118.0(13) . . ?
C31 C32 C35 123.0(12) . . ?
C33 C32 C35 118.9(13) . . ?
C34 C33 C32 122.0(17) . . ?
C34 C33 H33A 119.0 . . ?
C32 C33 H33A 119.0 . . ?
C33 C34 C29 118.6(17) . . ?
C33 C34 H34A 120.7 . . ?
C29 C34 H34A 120.7 . . ?
O4 C35 O3 117.2(13) . . ?
O4 C35 C32 122.6(13) . . ?
O3 C35 C32 120.2(12) . . ?
O4 C35 Eu2 57.9(7) . 1_666 ?
O3 C35 Eu2 60.4(7) . 1_666 ?
C32 C35 Eu2 169.4(8) . 1_666 ?
C41 C36 C37 115.1(12) . . ?
C41 C36 C20 124.3(14) . . ?
C37 C36 C20 120.6(12) . . ?
C38 C37 C36 122.2(12) . . ?
C38 C37 H37A 118.9 . . ?
C36 C37 H37A 118.9 . . ?
C37 C38 C39 120.9(13) . . ?
C37 C38 H38A 119.5 . . ?
C39 C38 H38A 119.5 . . ?
C40 C39 C38 117.2(12) . . ?
C40 C39 C42 120.7(11) . . ?
C38 C39 C42 121.4(11) . . ?
C41 C40 C39 121.3(12) . . ?
C41 C40 H40A 119.4 . . ?
C39 C40 H40A 119.4 . . ?
C36 C41 C40 122.8(14) . . ?
C36 C41 H41A 118.6 . . ?
C40 C41 H41A 118.6 . . ?
O5 C42 O6 123.5(12) . . ?
O5 C42 C39 116.8(11) . . ?
O6 C42 C39 119.6(11) . . ?
O8 C43 O7 127.0(11) . . ?
O8 C43 C44 115.8(12) . . ?
O7 C43 C44 117.2(10) . . ?
C45 C44 C46 122.3(11) . . ?
C45 C44 C43 119.0(11) . . ?
C46 C44 C43 118.6(10) . . ?
C44 C45 C48 118.4(11) . 2_533 ?
C44 C45 H45A 120.8 . . ?
C48 C45 H45A 120.8 2_533 . ?
C47 C46 C44 120.9(11) . . ?
C47 C46 H46A 119.5 . . ?
C44 C46 H46A 119.5 . . ?
C46 C47 C48 118.5(11) . . ?
C46 C47 H47A 120.8 . . ?
C48 C47 H47A 120.8 . . ?
C48 C48 C47 121.7(13) 2_533 . ?
C48 C48 C45 118.1(13) 2_533 2_533 ?
C47 C48 C45 120.2(11) . 2_533 ?
C49 O9 Eu1 129(2) . . ?
O9 C49 O10 134(4) . . ?
O9 C49 C50 112(3) . . ?
O10 C49 C50 114(3) . . ?
O9 C49 Eu1 33.7(16) . . ?
O10 C49 Eu1 101(3) . . ?
C50 C49 Eu1 142.8(18) . . ?
C55 C50 C51 124(3) . . ?
C55 C50 C49 117(2) . . ?
C51 C50 C49 119(3) . . ?
C50 C55 C54 112(2) . . ?
C50 C55 H55A 124.0 . . ?
C54 C55 H55A 124.0 . . ?
C52 C51 C50 121(3) . . ?
C52 C51 H51A 119.3 . . ?
C50 C51 H51A 119.3 . . ?
C53 C52 C51 117(3) . . ?
C53 C52 H52A 121.3 . . ?
C51 C52 H52A 121.3 . . ?
C52 C53 C54 120(2) . . ?
C52 C53 C59 120(2) . . ?
C54 C53 C59 120.0 . . ?
C56 C54 C53 120.0 . . ?
C56 C54 C55 115(2) . . ?
C53 C54 C55 125(2) . . ?
C54 C56 C57 120.0 . . ?
C54 C56 H56A 120.0 . . ?
C57 C56 H56A 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H57A 120.0 . . ?
C58 C57 H57A 120.0 . . ?
C59 C58 C57 120.0 . . ?
C59 C58 C60 120(2) . . ?
C57 C58 C60 120(2) . . ?
C58 C59 C53 120.0 . . ?
C58 C59 H59A 120.0 . . ?
C53 C59 H59A 120.0 . . ?
O18 C60 O19 119(4) . . ?
O18 C60 C58 119(4) . . ?
O19 C60 C58 121(4) . . ?
C13 N1 C9 120.3(9) . . ?
C13 N1 C8 120.9(9) . . ?
C9 N1 C8 118.5(10) . . ?
C14 N2 C15 115.6(9) . . ?
C16 N3 C15 115.1(9) . . ?
C16 N4 C14 115.7(9) . . ?
C19 N5 C21 121.7(12) . . ?
C19 N5 C20 120.9(11) . . ?
C21 N5 C20 117.4(12) . . ?
C26 N6 C25 121.3(11) . . ?
C26 N6 C28 119.4(12) . . ?
C25 N6 C28 118.6(13) . . ?
C1 O1 Eu1 92.9(8) . 1_456 ?
C1 O2 Eu1 94.2(7) . 1_456 ?
C35 O3 Eu2 93.0(8) . 1_666 ?
C35 O4 Eu2 96.3(9) . 1_666 ?
C42 O5 Eu1 158.0(9) . . ?
C42 O6 Eu2 174.6(10) . . ?
C43 O7 Eu2 135.6(7) . . ?
Eu1 O11 H11A 117(2) . . ?
Eu1 O11 H11B 118(2) . . ?
H11A O11 H11B 110(5) . . ?
Eu1 O12 H12B 118(2) . . ?
Eu1 O12 H12C 117(2) . . ?
H12B O12 H12C 111(4) . . ?
Eu1 O13 H13B 115(3) . . ?
Eu1 O13 H13C 114(2) . . ?
H13B O13 H13C 108(5) . . ?
Eu1 O14 H14A 114(2) . . ?
Eu1 O14 H14B 115(3) . . ?
H14A O14 H14B 108(5) . . ?
Eu2 O15 H15A 116(2) . . ?
Eu2 O15 H15B 116(2) . . ?
H15A O15 H15B 110(3) . . ?
Eu2 O17 H17A 116(3) . . ?
Eu2 O17 H17B 116(2) . . ?
H17A O17 H17B 106(5) . . ?
Eu2 O16 H16B 116(2) . . ?
Eu2 O16 H16C 116(2) . . ?
H16B O16 H16C 112(5) . . ?
Cl2' Cl2 Cl2 137.9(15) . 2_567 ?

_refine_diff_density_max         1.453
_refine_diff_density_min         -1.050
_refine_diff_density_rms         0.145

_shelxl_version_number           2014-3



# SQUEEZE RESULTS (Version =  91117)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.500 264 66 ' '
2 0.500 1.000 0.500 85 24 ' '
# Missing Reflections Below sin(th)/lambda = 0.25
loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
0 1 0 2.978
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
TITL exp_1287_a.res in P-1
CELL   13.3224   16.8341   17.0487    105.42    108.35    106.64
SPGR P-1
# Solvent Accessible Volume =       351
# Electrons Found in S.A.V. =        90
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
Q101 0.573 0.335 0.385 !       4.46 eA-3
Q102 0.457 0.281 0.473 !       3.36 eA-3
C103 0.363 0.031 0.439 !       3.31 eA-3
Q104 0.142 0.525 0.126 !       3.14 eA-3
C105 0.590 0.067 0.359 !       3.13 eA-3
C106 0.066 0.441 0.501 !       3.06 eA-3
Q107 0.268 0.012 0.373 !       2.81 eA-3
Q108 0.309 1.005 0.373 !       2.55 eA-3
Q109 0.264 0.408 0.341 !       2.51 eA-3
Q110 0.443 0.998 0.332 !       2.32 eA-3
Q111 0.406 0.017 0.380 !       2.12 eA-3
Q112 0.692 0.603 0.421 !       2.08 eA-3
C113 0.669 0.328 0.402 !       1.83 eA-3
Q114 0.503 0.796 0.315 !       1.82 eA-3
Q115 0.553 0.780 0.249 !       1.81 eA-3
C116 0.719 0.206 0.361 !       1.80 eA-3
C117 0.730 0.244 0.375 !       1.75 eA-3
Q118 0.772 0.615 0.438 !       1.70 eA-3
Q119 0.518 0.055 0.343 !       1.69 eA-3
Q120 0.764 0.631 0.405 !       1.57 eA-3
C121 0.656 0.151 0.376 !       1.57 eA-3
Q122 0.347 0.201 0.301 !       1.52 eA-3
Q123 0.502 0.956 0.453 !       1.52 eA-3
Q124 0.613 0.565 0.291 !       1.43 eA-3
Q125 0.068 0.856 0.286 !       1.40 eA-3
Q126 0.815 0.808 0.488 !       1.28 eA-3
Q127 0.625 0.276 0.417 !       1.28 eA-3
Q128 0.581 0.212 0.362 !       1.25 eA-3
Q129 0.397 0.498 0.029 !       1.25 eA-3
Q130 0.625 0.141 0.182 !       1.19 eA-3
Q131 0.126 0.116 0.162 !       1.18 eA-3
Q132 0.418 0.531 0.050 !       1.16 eA-3
Q133 0.474 0.240 0.419 !       1.16 eA-3
Q134 0.303 0.409 0.274 !       1.16 eA-3
Q135 0.316 0.156 0.267 !       1.15 eA-3
Q136 0.348 0.469 0.345 !       1.12 eA-3
Q137 0.895 0.494 0.970 !       1.11 eA-3
Q138 0.105 0.506 0.030 !       1.11 eA-3
Q139 0.073 0.144 0.454 !       1.08 eA-3
Q140 0.933 0.493 0.970 !       1.08 eA-3
Q141 0.327 0.490 0.265 !       1.07 eA-3
Q142 0.467 0.520 0.013 !       1.07 eA-3
Q143 0.984 0.219 0.276 !       1.07 eA-3
Q144 0.452 0.083 0.432 !       1.07 eA-3
Q145 0.812 0.110 0.234 !       1.06 eA-3
Q146 0.441 0.723 0.255 !       1.06 eA-3
C147 0.751 0.342 0.452 !       1.05 eA-3
Q148 0.043 0.984 0.172 !       1.05 eA-3
Q149 0.454 0.073 0.324 !       1.02 eA-3
Q150 0.158 0.641 0.308 !       1.02 eA-3
Q151 0.064 0.264 0.452 !       1.02 eA-3
Q152 0.165 0.080 0.333 !       1.00 eA-3
Q153 0.204 0.027 0.401 !       0.99 eA-3
Q154 0.971 0.320 0.014 !       0.99 eA-3
Q155 0.985 0.468 0.474 !       0.98 eA-3
Q156 0.378 0.127 0.276 !       0.96 eA-3
Q157 0.596 0.108 0.110 !       0.96 eA-3
Q158 0.641 0.081 0.325 !       0.95 eA-3
Q159 0.457 0.776 0.361 !       0.95 eA-3
Q160 0.186 0.169 0.330 !       0.94 eA-3
Q161 0.986 0.356 0.453 !       0.94 eA-3
Q162 0.029 0.136 0.386 !       0.92 eA-3
Q163 0.568 0.123 0.355 !       0.92 eA-3
Q164 0.236 0.464 0.503 !       0.91 eA-3
Q165 0.145 0.166 0.324 !       0.89 eA-3
Q166 0.719 0.207 0.252 !       0.89 eA-3
Q167 0.623 0.797 0.329 !       0.88 eA-3
Q168 0.076 0.672 0.156 !       0.88 eA-3
Q169 0.621 0.921 0.424 !       0.88 eA-3
Q170 0.263 0.479 0.441 !       0.88 eA-3
Q171 0.152 0.131 0.280 !       0.87 eA-3
Q172 0.539 0.613 0.487 !       0.87 eA-3
Q173 0.625 0.485 0.279 !       0.85 eA-3
Q174 0.732 0.332 0.314 !       0.85 eA-3
Q175 0.979 0.087 0.285 !       0.85 eA-3
Q176 0.356 0.482 0.504 !       0.85 eA-3
Q177 0.013 0.872 0.474 !       0.84 eA-3
Q178 0.014 0.374 0.488 !       0.84 eA-3
Q179 0.129 0.421 0.237 !       0.84 eA-3
Q180 0.357 0.233 0.407 !       0.84 eA-3
Q181 0.349 0.062 0.372 !       0.83 eA-3
Q182 0.421 0.239 0.503 !       0.83 eA-3
Q183 0.907 0.857 0.289 !       0.83 eA-3
Q184 0.817 0.347 0.416 !       0.83 eA-3
Q185 0.294 0.198 0.399 !       0.82 eA-3
Q186 0.779 0.456 0.464 !       0.82 eA-3
Q187 0.197 0.489 0.098 !       0.82 eA-3
Q188 0.233 0.132 0.295 !       0.82 eA-3
Q189 0.320 0.478 0.027 !       0.82 eA-3
Q190 0.672 0.393 0.402 !       0.81 eA-3
Q191 0.330 0.408 0.162 !       0.80 eA-3
Q192 0.262 0.932 0.143 !       0.80 eA-3
Q193 0.611 0.857 0.423 !       0.79 eA-3
Q194 0.619 0.798 0.064 !       0.79 eA-3
Q195 0.615 0.177 0.063 !       0.79 eA-3
Q196 0.475 0.418 0.423 !       0.78 eA-3
Q197 0.852 0.396 0.284 !       0.78 eA-3
Q198 0.233 0.858 0.207 !       0.78 eA-3
Q199 0.329 0.894 0.348 !       0.78 eA-3
;

