# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_sq
_database_code_depnum_ccdc_archive 'CCDC 2171770'
loop_
_audit_author_name
_audit_author_address
'Baoshan HOU'
;Northeast Normal University
China
;
_audit_update_record             
;
2022-05-10 deposited with the CCDC.	2022-07-04 downloaded from the CCDC.
;
_audit_creation_date             2022-01-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C208 H176 Eu2 N24 O216 Zr32)'
_chemical_formula_sum            'C104 H88 Eu N12 O108 Zr16'
_chemical_formula_weight         4845.34
_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 0.0181 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'
Eu Eu -8.9294 11.1857 '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'
Zr Zr -0.1862 2.2449 '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      tetragonal
_space_group_IT_number           128
_space_group_name_H-M_alt        'P 4/m n c'
_space_group_name_Hall           '-P 4 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'

_cell_length_a                   18.5785(8)
_cell_length_b                   18.5785(8)
_cell_length_c                   33.438(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11541.4(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.127
_cell_measurement_theta_min      1.628
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.303
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4726
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1137
_diffrn_reflns_av_unetI/netI     0.0723
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            29765
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        63.684
_diffrn_reflns_theta_max         63.684
_diffrn_reflns_theta_min         2.643
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX II Quazar'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3356
_reflns_number_total             4836
_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.
;
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.593
_refine_diff_density_min         -2.019
_refine_diff_density_rms         0.282
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         4836
_refine_ls_number_restraints     632
_refine_ls_R_factor_all          0.2082
_refine_ls_R_factor_gt           0.1659
_refine_ls_restrained_S_all      1.019
_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)+(0.0954P)²+938.6918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3650
_refine_ls_wR_factor_ref         0.3937
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N2-C14
 1.32 with sigma of 0.02
 O15-C14
 1.22 with sigma of 0.02
 C5-C9
 2.06 with sigma of 0.02
 C6-C2
 1.45 with sigma of 0.03
 C4-C1
 1.45 with sigma of 0.03
 C2-C1
 1.45 with sigma of 0.03
 C6-C4
 1.45 with sigma of 0.03
 C4-C2
 2.06 with sigma of 0.02
 C1-C6
 2.06 with sigma of 0.02
3. Restrained planarity
 O4, O5, O11, O14, C3, C5, C8, C9
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
O1 \\sim O2 \\sim O3 \\sim O4 \\sim O5 \\sim O6 \\sim O7 \\sim O8 \\sim O9
\\sim O10 \\sim O11 \\sim O12 \\sim O13 \\sim O14 \\sim O15 \\sim N1 \\sim N2
\\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim
C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.03
5. Others
 Fixed Sof: Eu1(0.125) O15(0.5) N2(0.5) C13(0.5) H13A(0.5) H13B(0.5) H13C(0.5)
 C14(0.5) H14(0.5) C15(0.5) H15A(0.5) H15B(0.5) H15C(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C12(H12), C14(H14)
6.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C15(H15A,H15B,
 H15C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.500000 1.000000 0.250000 0.0542(15) Uani 0.5 4 d S T P . .
Zr1 Zr 0.500000 0.500000 0.07585(10) 0.0387(9) Uani 1 4 d S T P . .
Zr2 Zr 0.500000 0.500000 0.30185(12) 0.0494(10) Uani 1 4 d S T P . .
Zr3 Zr 0.61223(10) 0.56468(10) 0.23104(6) 0.0456(6) Uani 1 1 d . . . . .
Zr4 Zr 0.57721(16) 0.39182(15) 0.000000 0.0483(8) Uani 1 2 d S T P . .
O1 O 0.5686(9) 0.5681(9) 0.1144(5) 0.062(2) Uani 1 1 d . U . . .
O2 O 0.4840(9) 0.4078(9) 0.0371(6) 0.079(4) Uani 1 1 d . U . . .
O3 O 0.6822(9) 0.6067(9) 0.1826(5) 0.062(2) Uani 1 1 d . U . . .
O4 O 0.6407(9) 0.6664(9) 0.2559(5) 0.069(2) Uani 1 1 d . U . . .
O5 O 0.4675(9) 0.7201(9) 0.2476(5) 0.072(2) Uani 1 1 d . U . . .
O6 O 0.5279(9) 0.6019(9) 0.1924(5) 0.064(2) Uani 1 1 d . U . . .
O7 O 0.6748(9) 0.6247(9) 0.0468(5) 0.064(3) Uani 1 1 d . U . . .
O8 O 0.5236(9) 0.5910(9) 0.2660(5) 0.066(2) Uani 1 1 d . U . . .
O9 O 0.5855(10) 0.5526(10) 0.3394(6) 0.076(3) Uani 1 1 d . U . . .
O10 O 0.5236(14) 0.2817(15) 0.000000 0.087(5) Uani 1 2 d S TU P . .
O11 O 0.6782(11) 0.8164(11) 0.2953(5) 0.088(5) Uani 1 1 d . U . . .
O12 O 0.7903(11) 0.6676(12) 0.1150(6) 0.085(5) Uani 1 1 d . U . . .
O13 O 0.4046(14) 0.3030(14) 0.000000 0.087(5) Uani 1 2 d S TU P . .
O14 O 0.5127(10) 0.8691(10) 0.2872(5) 0.082(3) Uani 1 1 d . U . . .
O15 O 0.487(2) 0.9259(19) 0.1919(12) 0.079(4) Uani 0.5 1 d D U . . .
N1 N 0.6942(14) 0.5691(14) 0.3685(8) 0.085(4) Uani 1 1 d . U . . .
N2 N 0.539(2) 0.840(3) 0.1485(14) 0.080(5) Uani 0.5 1 d D U . . .
C1 C 0.6287(10) 0.5947(14) 0.1141(7) 0.062(3) Uani 1 1 d D U . . .
C2 C 0.6807(12) 0.6108(14) 0.1459(5) 0.062(3) Uani 1 1 d D U . . .
C3 C 0.5270(15) 0.7444(14) 0.2604(5) 0.072(2) Uani 1 1 d . U . . .
C4 C 0.6768(12) 0.6218(14) 0.0848(5) 0.062(3) Uani 1 1 d D U . . .
C5 C 0.6001(14) 0.7194(12) 0.2633(5) 0.070(2) Uani 1 1 d D U . . .
C6 C 0.7304(11) 0.6404(14) 0.1154(7) 0.063(3) Uani 1 1 d D U . . .
C7 C 0.6476(16) 0.5313(17) 0.3486(9) 0.078(4) Uani 1 1 d . U . . .
H7 H 0.661166 0.484709 0.340632 0.094 Uiso 1 1 calc R . . . .
C8 C 0.6206(15) 0.7874(15) 0.2819(5) 0.076(3) Uani 1 1 d . U . . .
C9 C 0.5490(15) 0.8130(12) 0.2787(5) 0.077(3) Uani 1 1 d D U . . .
C10 C 0.7652(18) 0.539(2) 0.3807(11) 0.105(7) Uani 1 1 d . U . . .
H10A H 0.757910 0.501154 0.400321 0.158 Uiso 1 1 calc GR . . . .
H10B H 0.794577 0.576741 0.392243 0.158 Uiso 1 1 calc GR . . . .
H10C H 0.789450 0.519099 0.357454 0.158 Uiso 1 1 calc GR . . . .
C11 C 0.678(2) 0.6493(19) 0.3741(11) 0.110(7) Uani 1 1 d . U . . .
H11A H 0.674597 0.672394 0.348197 0.164 Uiso 1 1 calc GR . . . .
H11B H 0.716600 0.671362 0.389417 0.164 Uiso 1 1 calc GR . . . .
H11C H 0.632978 0.654835 0.388374 0.164 Uiso 1 1 calc GR . . . .
C12 C 0.456(2) 0.262(2) 0.000000 0.085(5) Uani 1 2 d S TU P . .
H12 H 0.445989 0.212873 0.000000 0.102 Uiso 1 2 calc RS T P . .
C13 C 0.558(3) 0.781(3) 0.134(2) 0.083(8) Uani 0.5 1 d . U . . .
H13A H 0.545229 0.743003 0.152870 0.125 Uiso 0.5 1 calc GR . . . .
H13B H 0.609744 0.781475 0.130459 0.125 Uiso 0.5 1 calc GR . . . .
H13C H 0.534110 0.773441 0.109053 0.125 Uiso 0.5 1 calc GR . . . .
C14 C 0.504(3) 0.867(2) 0.1788(16) 0.078(3) Uani 0.5 1 d D U . . .
H14 H 0.487827 0.830209 0.195842 0.094 Uiso 0.5 1 calc R . . . .
C15 C 0.579(3) 0.887(3) 0.117(2) 0.090(9) Uani 0.5 1 d . U . . .
H15A H 0.628799 0.893547 0.125671 0.134 Uiso 0.5 1 calc GR . . . .
H15B H 0.555838 0.933424 0.115191 0.134 Uiso 0.5 1 calc GR . . . .
H15C H 0.578327 0.863188 0.091420 0.134 Uiso 0.5 1 calc GR . . . .


_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 O14 2.740(19) 7_455 ?
Eu1 O14 2.740(19) 8_665 ?
Eu1 O14 2.740(18) 2_675 ?
Eu1 O14 2.741(18) . ?
Eu1 O15 2.39(4) . ?
Eu1 O15 2.39(4) 2_675 ?
Eu1 O15 2.39(4) 8_665 ?
Eu1 O15 2.39(4) 7_455 ?
Zr1 Zr4 3.540(3) 9_665 ?
Zr1 Zr4 3.540(3) 11_565 ?
Zr1 Zr4 3.540(3) . ?
Zr1 Zr4 3.540(3) 3_655 ?
Zr1 O1 2.212(15) 2_665 ?
Zr1 O1 2.212(15) . ?
Zr1 O1 2.212(15) 3_655 ?
Zr1 O1 2.212(15) 4_565 ?
Zr1 O2 2.169(19) . ?
Zr1 O2 2.169(19) 3_655 ?
Zr1 O2 2.169(19) 4_565 ?
Zr1 O2 2.169(19) 2_665 ?
Zr2 Zr3 3.376(3) 4_565 ?
Zr2 Zr3 3.376(3) 2_665 ?
Zr2 Zr3 3.376(3) . ?
Zr2 Zr3 3.376(3) 3_655 ?
Zr2 O8 2.119(18) 3_655 ?
Zr2 O8 2.119(18) . ?
Zr2 O8 2.119(18) 2_665 ?
Zr2 O8 2.119(18) 4_565 ?
Zr2 O9 2.247(18) . ?
Zr2 O9 2.247(18) 2_665 ?
Zr2 O9 2.247(18) 3_655 ?
Zr2 O9 2.247(18) 4_565 ?
Zr3 Zr3 3.403(3) 4_565 ?
Zr3 Zr3 3.403(3) 3_655 ?
Zr3 O3 2.219(17) . ?
Zr3 O4 2.132(17) . ?
Zr3 O5 2.163(18) 4_565 ?
Zr3 O6 2.158(17) 4_565 ?
Zr3 O6 2.145(17) . ?
Zr3 O8 2.077(17) . ?
Zr3 O8 2.053(17) 4_565 ?
Zr4 Zr1 3.540(3) 9_665 ?
Zr4 Zr4 3.492(4) 3_655 ?
Zr4 Zr4 3.492(4) 11_565 ?
Zr4 O2 2.150(18) 10 ?
Zr4 O2 2.150(18) . ?
Zr4 O2 2.133(19) 12_655 ?
Zr4 O2 2.133(19) 3_655 ?
Zr4 O7 2.181(16) 4_565 ?
Zr4 O7 2.181(16) 11_565 ?
Zr4 O10 2.28(3) . ?
Zr4 O13 2.24(3) 3_655 ?
O1 C1 1.22(2) . ?
O2 Zr4 2.133(19) 11_565 ?
O3 C2 1.23(2) . ?
O4 C5 1.26(3) . ?
O5 Zr3 2.164(18) 3_655 ?
O5 C3 1.27(3) . ?
O6 Zr3 2.159(17) 3_655 ?
O7 Zr4 2.181(16) 3_655 ?
O7 C4 1.27(2) . ?
O8 Zr3 2.053(17) 3_655 ?
O9 C7 1.26(3) . ?
O10 C12 1.31(5) . ?
O11 C8 1.28(3) . ?
O12 C6 1.22(2) . ?
O13 Zr4 2.24(3) 11_565 ?
O13 C12 1.21(4) . ?
O14 C9 1.27(3) . ?
O15 C14 1.22(2) . ?
N1 C7 1.30(3) . ?
N1 C10 1.49(4) . ?
N1 C11 1.53(4) . ?
N2 C13 1.24(7) . ?
N2 C14 1.30(2) . ?
N2 C15 1.56(7) . ?
C1 C2 1.47(2) . ?
C1 C4 1.42(2) . ?
C2 C6 1.48(2) . ?
C3 C5 1.44(4) . ?
C3 C9 1.47(4) . ?
C4 C6 1.47(2) . ?
C5 C8 1.46(4) . ?
C8 C9 1.42(4) . ?

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
O14 Eu1 O14 93.0(8) 7_455 2_675 ?
O14 Eu1 O14 111.0(8) 2_675 8_665 ?
O14 Eu1 O14 126.1(8) 7_455 8_665 ?
O14 Eu1 O14 111.0(8) 7_455 . ?
O14 Eu1 O14 93.0(8) 8_665 . ?
O14 Eu1 O14 126.1(8) 2_675 . ?
O15 Eu1 O14 71.0(10) 7_455 2_675 ?
O15 Eu1 O14 150.3(10) . 2_675 ?
O15 Eu1 O14 65.8(10) 8_665 2_675 ?
O15 Eu1 O14 82.3(10) 2_675 2_675 ?
O15 Eu1 O14 65.8(10) 7_455 . ?
O15 Eu1 O14 65.8(10) . 7_455 ?
O15 Eu1 O14 71.0(10) 2_675 7_455 ?
O15 Eu1 O14 150.3(10) 8_665 7_455 ?
O15 Eu1 O14 71.0(10) 8_665 . ?
O15 Eu1 O14 82.3(10) 7_455 7_455 ?
O15 Eu1 O14 150.3(10) 2_675 . ?
O15 Eu1 O14 150.3(10) 7_455 8_665 ?
O15 Eu1 O14 65.8(10) 2_675 8_665 ?
O15 Eu1 O14 71.0(10) . 8_665 ?
O15 Eu1 O14 82.3(10) 8_665 8_665 ?
O15 Eu1 O14 82.3(10) . . ?
O15 Eu1 O15 71.5(19) . 2_675 ?
O15 Eu1 O15 122.7(19) . 7_455 ?
O15 Eu1 O15 141.1(18) . 8_665 ?
O15 Eu1 O15 122.7(19) 8_665 2_675 ?
O15 Eu1 O15 141.1(18) 7_455 2_675 ?
O15 Eu1 O15 71.5(19) 8_665 7_455 ?
Zr4 Zr1 Zr4 88.46(10) 9_665 . ?
Zr4 Zr1 Zr4 59.11(6) 9_665 3_655 ?
Zr4 Zr1 Zr4 88.46(10) 11_565 3_655 ?
Zr4 Zr1 Zr4 59.11(6) 3_655 . ?
Zr4 Zr1 Zr4 59.11(6) 11_565 . ?
Zr4 Zr1 Zr4 59.11(6) 11_565 9_665 ?
O1 Zr1 Zr4 81.9(4) 4_565 . ?
O1 Zr1 Zr4 167.7(4) 2_665 3_655 ?
O1 Zr1 Zr4 109.1(5) 4_565 3_655 ?
O1 Zr1 Zr4 109.0(5) 2_665 . ?
O1 Zr1 Zr4 109.1(5) 3_655 11_565 ?
O1 Zr1 Zr4 81.9(4) 3_655 9_665 ?
O1 Zr1 Zr4 120.6(5) 3_655 3_655 ?
O1 Zr1 Zr4 120.6(5) 2_665 9_665 ?
O1 Zr1 Zr4 120.6(5) 4_565 11_565 ?
O1 Zr1 Zr4 120.6(5) . . ?
O1 Zr1 Zr4 81.9(4) 2_665 11_565 ?
O1 Zr1 Zr4 81.9(4) . 3_655 ?
O1 Zr1 Zr4 167.7(4) 3_655 . ?
O1 Zr1 Zr4 109.0(5) . 9_665 ?
O1 Zr1 Zr4 167.7(4) 4_565 9_665 ?
O1 Zr1 Zr4 167.7(4) . 11_565 ?
O1 Zr1 O1 70.1(4) . 4_565 ?
O1 Zr1 O1 108.7(8) 4_565 3_655 ?
O1 Zr1 O1 70.1(4) . 3_655 ?
O1 Zr1 O1 108.7(8) . 2_665 ?
O1 Zr1 O1 70.1(4) 3_655 2_665 ?
O1 Zr1 O1 70.1(4) 4_565 2_665 ?
O2 Zr1 Zr4 88.0(5) . 9_665 ?
O2 Zr1 Zr4 88.3(5) 4_565 . ?
O2 Zr1 Zr4 88.3(5) 3_655 9_665 ?
O2 Zr1 Zr4 88.3(5) 2_665 11_565 ?
O2 Zr1 Zr4 34.3(5) 3_655 . ?
O2 Zr1 Zr4 88.0(5) 4_565 3_655 ?
O2 Zr1 Zr4 34.8(5) 2_665 9_665 ?
O2 Zr1 Zr4 88.0(5) 3_655 11_565 ?
O2 Zr1 Zr4 88.0(5) 2_665 . ?
O2 Zr1 Zr4 34.3(5) . 11_565 ?
O2 Zr1 Zr4 34.8(5) . . ?
O2 Zr1 Zr4 88.3(5) . 3_655 ?
O2 Zr1 Zr4 34.3(5) 4_565 9_665 ?
O2 Zr1 Zr4 34.8(5) 4_565 11_565 ?
O2 Zr1 Zr4 34.8(5) 3_655 3_655 ?
O2 Zr1 Zr4 34.3(5) 2_665 3_655 ?
O2 Zr1 O1 88.4(7) . 4_565 ?
O2 Zr1 O1 79.5(7) . 2_665 ?
O2 Zr1 O1 136.5(7) . 3_655 ?
O2 Zr1 O1 88.3(7) 3_655 . ?
O2 Zr1 O1 79.5(7) 3_655 4_565 ?
O2 Zr1 O1 79.5(7) 2_665 . ?
O2 Zr1 O1 151.6(7) 4_565 4_565 ?
O2 Zr1 O1 151.6(7) 2_665 2_665 ?
O2 Zr1 O1 136.5(7) 2_665 4_565 ?
O2 Zr1 O1 79.5(7) 4_565 3_655 ?
O2 Zr1 O1 151.6(7) 3_655 3_655 ?
O2 Zr1 O1 136.5(7) 4_565 . ?
O2 Zr1 O1 151.6(7) . . ?
O2 Zr1 O1 88.3(7) 2_665 3_655 ?
O2 Zr1 O1 88.3(7) 4_565 2_665 ?
O2 Zr1 O1 136.5(7) 3_655 2_665 ?
O2 Zr1 O2 69.1(6) 4_565 2_665 ?
O2 Zr1 O2 69.1(6) 3_655 . ?
O2 Zr1 O2 69.1(6) 4_565 . ?
O2 Zr1 O2 106.6(11) 4_565 3_655 ?
O2 Zr1 O2 69.1(6) 2_665 3_655 ?
O2 Zr1 O2 106.6(11) 2_665 . ?
Zr3 Zr2 Zr3 60.54(7) 2_665 4_565 ?
Zr3 Zr2 Zr3 90.94(12) 2_665 . ?
Zr3 Zr2 Zr3 60.54(7) 4_565 . ?
Zr3 Zr2 Zr3 90.94(12) 4_565 3_655 ?
Zr3 Zr2 Zr3 60.54(7) 2_665 3_655 ?
Zr3 Zr2 Zr3 60.54(7) 3_655 . ?
O8 Zr2 Zr3 91.3(5) 3_655 . ?
O8 Zr2 Zr3 91.3(5) 2_665 3_655 ?
O8 Zr2 Zr3 90.9(5) 4_565 3_655 ?
O8 Zr2 Zr3 91.3(5) 4_565 2_665 ?
O8 Zr2 Zr3 35.3(4) 3_655 2_665 ?
O8 Zr2 Zr3 36.0(5) 2_665 2_665 ?
O8 Zr2 Zr3 36.0(5) . . ?
O8 Zr2 Zr3 35.3(4) . 3_655 ?
O8 Zr2 Zr3 90.9(5) . 2_665 ?
O8 Zr2 Zr3 91.3(5) . 4_565 ?
O8 Zr2 Zr3 90.9(5) 2_665 . ?
O8 Zr2 Zr3 35.3(4) 2_665 4_565 ?
O8 Zr2 Zr3 35.3(4) 4_565 . ?
O8 Zr2 Zr3 90.9(5) 3_655 4_565 ?
O8 Zr2 Zr3 36.0(5) 4_565 4_565 ?
O8 Zr2 Zr3 36.0(5) 3_655 3_655 ?
O8 Zr2 O8 71.3(5) . 3_655 ?
O8 Zr2 O8 111.1(9) 3_655 4_565 ?
O8 Zr2 O8 71.3(5) 2_665 4_565 ?
O8 Zr2 O8 71.3(5) 2_665 3_655 ?
O8 Zr2 O8 71.3(5) . 4_565 ?
O8 Zr2 O8 111.1(9) . 2_665 ?
O8 Zr2 O9 144.0(7) 2_665 . ?
O8 Zr2 O9 79.8(7) 2_665 2_665 ?
O8 Zr2 O9 80.9(7) 2_665 4_565 ?
O8 Zr2 O9 142.2(7) 3_655 . ?
O8 Zr2 O9 142.2(7) 4_565 2_665 ?
O8 Zr2 O9 80.9(7) 4_565 . ?
O8 Zr2 O9 79.8(7) . . ?
O8 Zr2 O9 80.9(7) . 3_655 ?
O8 Zr2 O9 80.9(7) 3_655 2_665 ?
O8 Zr2 O9 79.8(7) 4_565 4_565 ?
O8 Zr2 O9 142.2(7) . 4_565 ?
O8 Zr2 O9 79.8(7) 3_655 3_655 ?
O8 Zr2 O9 144.0(7) 3_655 4_565 ?
O8 Zr2 O9 144.0(7) 4_565 3_655 ?
O8 Zr2 O9 144.0(7) . 2_665 ?
O8 Zr2 O9 142.2(7) 2_665 3_655 ?
O9 Zr2 Zr3 112.0(5) 2_665 4_565 ?
O9 Zr2 Zr3 78.5(5) . . ?
O9 Zr2 Zr3 112.0(5) . 3_655 ?
O9 Zr2 Zr3 169.3(5) 4_565 3_655 ?
O9 Zr2 Zr3 169.3(5) 2_665 . ?
O9 Zr2 Zr3 78.5(5) 4_565 4_565 ?
O9 Zr2 Zr3 169.3(5) 3_655 4_565 ?
O9 Zr2 Zr3 78.5(5) 2_665 2_665 ?
O9 Zr2 Zr3 114.1(5) 3_655 . ?
O9 Zr2 Zr3 114.1(5) 4_565 2_665 ?
O9 Zr2 Zr3 112.0(5) 4_565 . ?
O9 Zr2 Zr3 169.3(5) . 2_665 ?
O9 Zr2 Zr3 78.5(5) 3_655 3_655 ?
O9 Zr2 Zr3 114.1(5) . 4_565 ?
O9 Zr2 Zr3 112.0(5) 3_655 2_665 ?
O9 Zr2 Zr3 114.1(5) 2_665 3_655 ?
O9 Zr2 O9 71.8(5) . 4_565 ?
O9 Zr2 O9 112.1(11) . 2_665 ?
O9 Zr2 O9 71.8(5) . 3_655 ?
O9 Zr2 O9 112.1(11) 3_655 4_565 ?
O9 Zr2 O9 71.8(5) 2_665 4_565 ?
O9 Zr2 O9 71.8(5) 3_655 2_665 ?
Zr2 Zr3 Zr3 59.73(3) . 4_565 ?
Zr2 Zr3 Zr3 59.73(3) . 3_655 ?
Zr3 Zr3 Zr3 90.0 4_565 3_655 ?
O3 Zr3 Zr2 177.5(4) . . ?
O3 Zr3 Zr3 119.5(4) . 4_565 ?
O3 Zr3 Zr3 118.3(5) . 3_655 ?
O4 Zr3 Zr2 101.3(4) . . ?
O4 Zr3 Zr3 157.0(4) . 4_565 ?
O4 Zr3 Zr3 90.5(5) . 3_655 ?
O4 Zr3 O3 80.1(6) . . ?
O4 Zr3 O5 85.2(7) . 4_565 ?
O4 Zr3 O6 97.5(7) . . ?
O4 Zr3 O6 164.1(6) . 4_565 ?
O5 Zr3 Zr2 107.1(5) 4_565 . ?
O5 Zr3 Zr3 165.1(4) 4_565 3_655 ?
O5 Zr3 Zr3 88.5(5) 4_565 4_565 ?
O5 Zr3 O3 75.0(6) 4_565 . ?
O6 Zr3 Zr2 94.6(5) 4_565 . ?
O6 Zr3 Zr2 94.9(5) . . ?
O6 Zr3 Zr3 37.9(5) . 3_655 ?
O6 Zr3 Zr3 37.6(5) 4_565 4_565 ?
O6 Zr3 Zr3 96.9(5) 4_565 3_655 ?
O6 Zr3 Zr3 97.0(5) . 4_565 ?
O6 Zr3 O3 82.8(6) . . ?
O6 Zr3 O3 84.0(6) 4_565 . ?
O6 Zr3 O5 156.9(6) . 4_565 ?
O6 Zr3 O5 90.9(6) 4_565 4_565 ?
O6 Zr3 O6 80.3(9) . 4_565 ?
O8 Zr3 Zr2 36.6(5) 4_565 . ?
O8 Zr3 Zr2 36.8(5) . . ?
O8 Zr3 Zr3 91.2(5) . 4_565 ?
O8 Zr3 Zr3 34.3(5) . 3_655 ?
O8 Zr3 Zr3 34.7(5) 4_565 4_565 ?
O8 Zr3 Zr3 91.3(5) 4_565 3_655 ?
O8 Zr3 O3 144.1(7) 4_565 . ?
O8 Zr3 O3 142.4(7) . . ?
O8 Zr3 O4 76.6(6) . . ?
O8 Zr3 O4 122.3(6) 4_565 . ?
O8 Zr3 O5 130.9(6) . 4_565 ?
O8 Zr3 O5 79.1(7) 4_565 4_565 ?
O8 Zr3 O6 71.7(7) 4_565 4_565 ?
O8 Zr3 O6 117.4(7) 4_565 . ?
O8 Zr3 O6 71.6(7) . . ?
O8 Zr3 O6 117.0(7) . 4_565 ?
O8 Zr3 O8 73.5(9) 4_565 . ?
Zr1 Zr4 Zr1 91.54(10) . 9_665 ?
Zr4 Zr4 Zr1 60.45(3) 3_655 9_665 ?
Zr4 Zr4 Zr1 60.45(3) 11_565 . ?
Zr4 Zr4 Zr1 60.45(3) 11_565 9_665 ?
Zr4 Zr4 Zr1 60.45(3) 3_655 . ?
Zr4 Zr4 Zr4 90.0 11_565 3_655 ?
O2 Zr4 Zr1 90.5(5) . 9_665 ?
O2 Zr4 Zr1 90.5(5) 10 . ?
O2 Zr4 Zr1 35.0(5) 3_655 . ?
O2 Zr4 Zr1 90.8(6) 12_655 . ?
O2 Zr4 Zr1 90.8(6) 3_655 9_665 ?
O2 Zr4 Zr1 35.1(5) . . ?
O2 Zr4 Zr1 35.0(5) 12_655 9_665 ?
O2 Zr4 Zr1 35.1(5) 10 9_665 ?
O2 Zr4 Zr4 89.8(5) 3_655 11_565 ?
O2 Zr4 Zr4 35.6(5) 3_655 3_655 ?
O2 Zr4 Zr4 89.8(5) . 3_655 ?
O2 Zr4 Zr4 89.8(5) 12_655 11_565 ?
O2 Zr4 Zr4 35.6(5) 12_655 3_655 ?
O2 Zr4 Zr4 35.2(5) 10 11_565 ?
O2 Zr4 Zr4 35.2(5) . 11_565 ?
O2 Zr4 Zr4 89.8(5) 10 3_655 ?
O2 Zr4 O2 71.1(11) 3_655 12_655 ?
O2 Zr4 O2 70.5(11) 10 . ?
O2 Zr4 O2 109.3(10) 12_655 . ?
O2 Zr4 O2 109.3(10) 3_655 10 ?
O2 Zr4 O2 70.1(9) 3_655 . ?
O2 Zr4 O2 70.1(9) 12_655 10 ?
O2 Zr4 O7 145.0(7) 3_655 11_565 ?
O2 Zr4 O7 89.2(7) 3_655 4_565 ?
O2 Zr4 O7 144.9(7) 10 4_565 ?
O2 Zr4 O7 89.2(7) 12_655 11_565 ?
O2 Zr4 O7 89.5(7) . 4_565 ?
O2 Zr4 O7 89.5(7) 10 11_565 ?
O2 Zr4 O7 144.9(7) . 11_565 ?
O2 Zr4 O7 145.0(7) 12_655 4_565 ?
O2 Zr4 O10 141.2(6) 3_655 . ?
O2 Zr4 O10 76.8(7) . . ?
O2 Zr4 O10 141.2(6) 12_655 . ?
O2 Zr4 O10 76.8(7) 10 . ?
O2 Zr4 O13 141.8(6) . 3_655 ?
O2 Zr4 O13 141.8(6) 10 3_655 ?
O2 Zr4 O13 77.6(7) 3_655 3_655 ?
O2 Zr4 O13 77.6(7) 12_655 3_655 ?
O7 Zr4 Zr1 180.0(6) 11_565 . ?
O7 Zr4 Zr1 180.0(6) 4_565 9_665 ?
O7 Zr4 Zr1 88.4(4) 11_565 9_665 ?
O7 Zr4 Zr1 88.4(4) 4_565 . ?
O7 Zr4 Zr4 119.5(5) 4_565 11_565 ?
O7 Zr4 Zr4 119.5(5) 11_565 11_565 ?
O7 Zr4 Zr4 119.5(5) 11_565 3_655 ?
O7 Zr4 Zr4 119.5(5) 4_565 3_655 ?
O7 Zr4 O7 91.6(9) 11_565 4_565 ?
O7 Zr4 O10 70.6(6) 11_565 . ?
O7 Zr4 O10 70.6(6) 4_565 . ?
O7 Zr4 O13 70.0(7) 11_565 3_655 ?
O7 Zr4 O13 70.0(7) 4_565 3_655 ?
O10 Zr4 Zr1 109.4(4) . 9_665 ?
O10 Zr4 Zr1 109.4(4) . . ?
O10 Zr4 Zr4 73.5(6) . 11_565 ?
O10 Zr4 Zr4 163.5(6) . 3_655 ?
O13 Zr4 Zr1 110.0(5) 3_655 . ?
O13 Zr4 Zr1 110.0(5) 3_655 9_665 ?
O13 Zr4 Zr4 74.4(7) 3_655 3_655 ?
O13 Zr4 Zr4 164.4(7) 3_655 11_565 ?
O13 Zr4 O10 122.1(10) 3_655 . ?
C1 O1 Zr1 139.0(16) . . ?
Zr4 O2 Zr1 110.1(8) . . ?
Zr4 O2 Zr1 110.7(7) 11_565 . ?
Zr4 O2 Zr4 109.2(9) 11_565 . ?
C2 O3 Zr3 137.4(15) . . ?
C5 O4 Zr3 128.2(16) . . ?
C3 O5 Zr3 131.1(17) . 3_655 ?
Zr3 O6 Zr3 104.5(7) . 3_655 ?
C4 O7 Zr4 135.7(14) . 3_655 ?
Zr3 O8 Zr2 108.0(7) 3_655 . ?
Zr3 O8 Zr2 107.2(8) . . ?
Zr3 O8 Zr3 111.0(8) 3_655 . ?
C7 O9 Zr2 130.5(19) . . ?
C12 O10 Zr4 132(2) . . ?
C12 O13 Zr4 134(3) . 11_565 ?
C9 O14 Eu1 132.2(9) . . ?
C14 O15 Eu1 141(4) . . ?
C7 N1 C10 122(3) . . ?
C7 N1 C11 117(3) . . ?
C10 N1 C11 120(3) . . ?
C13 N2 C14 141(6) . . ?
C13 N2 C15 96(5) . . ?
C14 N2 C15 123(5) . . ?
O1 C1 C2 133(2) . . ?
O1 C1 C4 136(2) . . ?
C4 C1 C2 90.8(12) . . ?
O3 C2 C1 137(2) . . ?
O3 C2 C6 134(2) . . ?
C1 C2 C6 89.2(11) . . ?
O5 C3 C5 137(3) . . ?
O5 C3 C9 134(3) . . ?
C5 C3 C9 89.4(19) . . ?
O7 C4 C1 133.4(19) . . ?
O7 C4 C6 134.9(19) . . ?
C1 C4 C6 91.6(12) . . ?
O4 C5 C3 143(2) . . ?
O4 C5 C8 127(2) . . ?
C3 C5 C8 90(2) . . ?
O12 C6 C2 137(2) . . ?
O12 C6 C4 135(2) . . ?
C4 C6 C2 88.3(11) . . ?
O9 C7 N1 125(3) . . ?
O11 C8 C5 137(3) . . ?
O11 C8 C9 132(3) . . ?
C9 C8 C5 91(2) . . ?
O14 C9 C3 131(3) . . ?
O14 C9 C8 139(3) . . ?
C8 C9 C3 90(2) . . ?
O13 C12 O10 126(4) . . ?
O15 C14 N2 139(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
