#------------------------------------------------------------------------------
#$Date: 2021-09-06 12:06:03 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268518 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/84/7128487.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7128487
loop_
_publ_author_name
'Ge, Rui'
'Liu, Jin-Hua'
'Li, Xin-Hao'
'Li, Ling-Yun'
'Sun, Yan-Qiong'
'Li, Zhikai'
'Li, Xin-Xiong'
'Zheng, Shou-Tian'
_publ_section_title
;
 Luminescent cluster-organic frameworks constructed from predesigned
 supertetrahedral {Ln₄Zn₆} secondary building units.
;
_journal_issue                   56
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6927
_journal_page_last               6930
_journal_paper_doi               10.1039/d1cc02727a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C54 H73 Eu4 N4 O34 Zn6'
_chemical_formula_weight         2322.22
_space_group_crystal_system      cubic
_space_group_IT_number           220
_space_group_name_Hall           'I -4bd 2c 3'
_space_group_name_H-M_alt        'I -4 3 d'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc27pd8m
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-08 deposited with the CCDC.	2021-06-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   35.039(3)
_cell_length_b                   35.039(3)
_cell_length_c                   35.039(3)
_cell_measurement_reflns_used    56371
_cell_measurement_temperature    175(2)
_cell_measurement_theta_max      25.058
_cell_measurement_theta_min      2.175
_cell_volume                     43018(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      175(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruke duo apx2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            53673
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.058
_diffrn_reflns_theta_max         25.058
_diffrn_reflns_theta_min         2.175
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.668
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6070
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             18064
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.922
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         6292
_refine_ls_number_restraints     238
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0450P)²+410.1602P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1097
_reflns_Friedel_coverage         0.900
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                5087
_reflns_number_total             6292
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc02727a2.cif
_cod_data_source_block           gg
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7128487--7128488.cif.
;
_cod_original_cell_volume        43020(10)
_cod_database_code               7128487
_shelx_shelxl_version_number     2018/3
_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.
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'y+1/4, -x+3/4, -z+1/4'
'-x, -y+1/2, z'
'-y+1/4, x+1/4, -z+3/4'
'-x+1/4, z+1/4, -y+3/4'
'x, -y, -z+1/2'
'-x+3/4, -z+1/4, y+1/4'
'-z+3/4, -y+1/4, x+1/4'
'-x+1/2, y, -z'
'z+1/4, -y+3/4, -x+1/4'
'z, x, y'
'y, z, x'
'-y, -z+1/2, x'
'z, -x, -y+1/2'
'-y+1/2, z, -x'
'-z, -x+1/2, y'
'-z+1/2, x, -y'
'y, -z, -x+1/2'
'-y+3/4, -x+1/4, z+1/4'
'y+1/4, x+1/4, z+1/4'
'x+1/4, -z+3/4, -y+1/4'
'x+1/4, z+1/4, y+1/4'
'-z+1/4, y+1/4, -x+3/4'
'z+1/4, y+1/4, x+1/4'
'x+1/2, y+1/2, z+1/2'
'y+3/4, -x+5/4, -z+3/4'
'-x+1/2, -y+1, z+1/2'
'-y+3/4, x+3/4, -z+5/4'
'-x+3/4, z+3/4, -y+5/4'
'x+1/2, -y+1/2, -z+1'
'-x+5/4, -z+3/4, y+3/4'
'-z+5/4, -y+3/4, x+3/4'
'-x+1, y+1/2, -z+1/2'
'z+3/4, -y+5/4, -x+3/4'
'z+1/2, x+1/2, y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, -z+1, x+1/2'
'z+1/2, -x+1/2, -y+1'
'-y+1, z+1/2, -x+1/2'
'-z+1/2, -x+1, y+1/2'
'-z+1, x+1/2, -y+1/2'
'y+1/2, -z+1/2, -x+1'
'-y+5/4, -x+3/4, z+3/4'
'y+3/4, x+3/4, z+3/4'
'x+3/4, -z+5/4, -y+3/4'
'x+3/4, z+3/4, y+3/4'
'-z+3/4, y+3/4, -x+5/4'
'z+3/4, y+3/4, x+3/4'
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 1.08236(2) 0.57482(2) 0.05873(2) 0.02494(18) Uani 1 1 d . . . . .
Eu2 Eu 0.94110(2) 0.44110(2) 0.05890(2) 0.0427(4) Uani 1 3 d S T P . .
Zn1 Zn 1.01262(4) 0.57275(4) -0.00753(4) 0.0181(3) Uani 1 1 d . . . . .
Zn2 Zn 1.01238(4) 0.50774(4) 0.05114(4) 0.0218(3) Uani 1 1 d . . . . .
O1W O 0.9569(5) 0.3807(4) 0.0378(5) 0.091(5) Uani 1 1 d . . . . .
H1WA H 0.970984 0.364459 0.053457 0.109 Uiso 1 1 calc R U . . .
H1WB H 0.949297 0.372610 0.013750 0.109 Uiso 1 1 calc R U . . .
O2 O 1.0096(2) 0.5096(2) -0.0096(2) 0.012(3) Uani 1 3 d S T P . .
O3 O 1.0149(2) 0.5661(2) 0.0508(2) 0.021(2) Uani 1 1 d . . . . .
O4 O 1.0712(2) 0.5079(2) 0.0458(2) 0.0197(18) Uani 1 1 d . . . . .
O5 O 1.0714(2) 0.5658(2) -0.0085(2) 0.0197(18) Uani 1 1 d . . . . .
O6 O 1.0084(3) 0.4488(3) 0.0468(3) 0.028(2) Uani 1 1 d . . . . .
O7 O 1.0160(3) 0.6322(3) -0.0052(3) 0.039(3) Uani 1 1 d . . . . .
O8 O 1.0615(3) 0.6352(3) 0.0389(3) 0.038(3) Uani 1 1 d . . . . .
O9 O 1.0633(3) 0.5525(3) 0.1196(3) 0.041(3) Uani 1 1 d . . . . .
O10 O 1.0139(3) 0.5049(3) 0.1114(3) 0.042(3) Uani 1 1 d . . . . .
O11 O 1.1444(3) 0.5935(4) 0.0321(4) 0.067(4) Uani 1 1 d . . . . .
O12 O 1.1438(4) 0.5469(4) 0.0766(4) 0.074(4) Uani 1 1 d . . . . .
N1 N 0.8719(4) 0.6414(4) 0.1415(4) 0.053(3) Uani 1 1 d . U . . .
N2 N 1.1503(3) 0.6503(3) -0.1503(3) 0.066(6) Uani 1 3 d DS TU P . .
C1 C 1.0785(4) 0.5785(4) -0.0785(4) 0.036(4) Uani 1 3 d S TU P . .
C2 C 0.9198(4) 0.6017(4) 0.0900(4) 0.041(3) Uani 1 1 d . U . . .
C3 C 0.8826(5) 0.6043(5) 0.0855(5) 0.068(4) Uani 1 1 d . U . . .
H3A H 0.871421 0.592597 0.064447 0.082 Uiso 1 1 calc R U . . .
C4 C 0.9334(5) 0.6199(4) 0.1218(5) 0.061(4) Uani 1 1 d . U . . .
H4A H 0.959442 0.619490 0.127004 0.073 Uiso 1 1 calc R U . . .
C5 C 0.9080(5) 0.6393(5) 0.1470(5) 0.064(4) Uani 1 1 d . U . . .
H5A H 0.918169 0.651115 0.168525 0.077 Uiso 1 1 calc R U . . .
C6 C 1.0387(5) 0.6497(4) 0.0157(5) 0.040(4) Uani 1 1 d . U . . .
C7 C 1.0385(9) 0.5276(8) 0.1306(7) 0.102(8) Uani 1 1 d D U . . .
C8 C 1.1614(6) 0.5697(8) 0.0509(8) 0.081(6) Uani 1 1 d . U . . .
C9 C 1.0377(9) 0.5215(10) 0.1738(7) 0.132(10) Uani 1 1 d D U . . .
H9A H 1.018748 0.502745 0.180044 0.198 Uiso 1 1 calc R U . . .
H9B H 1.062299 0.512754 0.182235 0.198 Uiso 1 1 calc R U . . .
H9C H 1.031676 0.545121 0.186280 0.198 Uiso 1 1 calc R U . . .
C10 C 1.1038(4) 0.6038(4) -0.1038(4) 0.070(4) Uani 1 3 d DS TU P . .
C11 C 1.0921(4) 0.5862(4) -0.0371(4) 0.030(3) Uani 1 1 d . U . . .
H11A H 1.118863 0.579425 -0.035129 0.036 Uiso 1 1 calc R U . . .
H11B H 1.089906 0.613294 -0.031914 0.036 Uiso 1 1 calc R U . . .
C12 C 1.0377(7) 0.6937(6) 0.0124(7) 0.089(7) Uani 1 1 d . U . . .
H12A H 1.056095 0.704590 0.029575 0.134 Uiso 1 1 calc R U . . .
H12B H 1.043620 0.701164 -0.013254 0.134 Uiso 1 1 calc R U . . .
H12C H 1.012658 0.702811 0.019001 0.134 Uiso 1 1 calc R U . . .
C13 C 1.2018(7) 0.5648(9) 0.0426(9) 0.117(9) Uani 1 1 d . U . . .
H13A H 1.212142 0.545483 0.058956 0.175 Uiso 1 1 calc R U . . .
H13B H 1.204867 0.557324 0.016428 0.175 Uiso 1 1 calc R U . . .
H13C H 1.214902 0.588487 0.046923 0.175 Uiso 1 1 calc R U . . .
C14 C 0.9459(4) 0.5784(4) 0.0629(4) 0.028(2) Uani 1 1 d . U . . .
C15 C 0.8596(6) 0.6236(5) 0.1106(5) 0.074(4) Uani 1 1 d . U . . .
H15A H 0.833514 0.624252 0.105570 0.089 Uiso 1 1 calc R U . . .
C16 C 1.1122(5) 0.6493(6) -0.1543(6) 0.079(6) Uani 0.6667 1 d D U P . .
H16A H 1.100946 0.664485 -0.172948 0.095 Uiso 0.6667 1 calc R U P . .
C17 C 1.0888(5) 0.6268(6) -0.1318(6) 0.070(4) Uani 0.6667 1 d D U P . .
H17A H 1.062545 0.627183 -0.135784 0.084 Uiso 0.6667 1 calc R U P . .
C18 C 0.9876(4) 0.5867(4) 0.0734(4) 0.029(3) Uani 1 1 d . U . . .
H18A H 0.992307 0.613792 0.070600 0.034 Uiso 1 1 calc R U . . .
H18B H 0.991509 0.580211 0.100082 0.034 Uiso 1 1 calc R U . . .
C19 C 1.0915(4) 0.4776(4) 0.0647(4) 0.029(3) Uani 1 1 d . U . . .
H19A H 1.088670 0.480857 0.092090 0.034 Uiso 1 1 calc R U . . .
H19B H 1.118387 0.479980 0.058770 0.034 Uiso 1 1 calc R U . . .
C20 C 1.0368(4) 0.4276(4) 0.0658(4) 0.031(3) Uani 1 1 d . U . . .
H20A H 1.032371 0.400647 0.061078 0.037 Uiso 1 1 calc R U . . .
H20B H 1.034201 0.431757 0.093051 0.037 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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'
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'
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
O8 Eu1 O9 118.5(4) . . ?
O8 Eu1 O3 76.9(3) . . ?
O9 Eu1 O3 77.6(3) . . ?
O8 Eu1 O5 77.2(3) . . ?
O9 Eu1 O5 142.4(3) . . ?
O3 Eu1 O5 73.3(3) . . ?
O8 Eu1 O4 140.3(3) . . ?
O9 Eu1 O4 78.6(3) . . ?
O3 Eu1 O4 72.3(3) . . ?
O5 Eu1 O4 70.4(3) . . ?
O8 Eu1 O12 135.3(4) . . ?
O9 Eu1 O12 83.4(5) . . ?
O3 Eu1 O12 147.8(4) . . ?
O5 Eu1 O12 109.8(4) . . ?
O4 Eu1 O12 78.6(4) . . ?
O8 Eu1 O11 85.5(5) . . ?
O9 Eu1 O11 132.9(4) . . ?
O3 Eu1 O11 149.6(4) . . ?
O5 Eu1 O11 78.7(4) . . ?
O4 Eu1 O11 109.4(4) . . ?
O12 Eu1 O11 54.9(5) . . ?
O8 Eu1 N1 74.5(4) . 28_644 ?
O9 Eu1 N1 72.7(4) . 28_644 ?
O3 Eu1 N1 120.9(4) . 28_644 ?
O5 Eu1 N1 143.6(4) . 28_644 ?
O4 Eu1 N1 143.7(4) . 28_644 ?
O12 Eu1 N1 76.6(4) . 28_644 ?
O11 Eu1 N1 76.7(4) . 28_644 ?
O8 Eu1 C8 109.7(7) . . ?
O9 Eu1 C8 110.4(7) . . ?
O3 Eu1 C8 163.4(5) . . ?
O5 Eu1 C8 93.0(6) . . ?
O4 Eu1 C8 94.6(6) . . ?
O12 Eu1 C8 29.0(6) . . ?
O11 Eu1 C8 25.8(6) . . ?
N1 Eu1 C8 75.7(6) 28_644 . ?
O8 Eu1 Zn1 65.8(2) . . ?
O9 Eu1 Zn1 114.1(3) . . ?
O3 Eu1 Zn1 37.18(19) . . ?
O5 Eu1 Zn1 37.62(19) . . ?
O4 Eu1 Zn1 74.53(17) . . ?
O12 Eu1 Zn1 143.7(3) . . ?
O11 Eu1 Zn1 112.7(3) . . ?
N1 Eu1 Zn1 137.8(3) 28_644 . ?
C8 Eu1 Zn1 130.6(5) . . ?
O8 Eu1 Zn2 112.1(2) . . ?
O9 Eu1 Zn2 68.8(2) . . ?
O3 Eu1 Zn2 36.3(2) . . ?
O5 Eu1 Zn2 73.64(19) . . ?
O4 Eu1 Zn2 36.91(19) . . ?
O12 Eu1 Zn2 112.2(3) . . ?
O11 Eu1 Zn2 142.4(3) . . ?
N1 Eu1 Zn2 138.9(3) 28_644 . ?
C8 Eu1 Zn2 131.5(5) . . ?
Zn1 Eu1 Zn2 53.83(3) . . ?
O8 Eu1 Zn1 111.8(2) . 42 ?
O9 Eu1 Zn1 113.5(3) . 42 ?
O3 Eu1 Zn1 74.5(2) . 42 ?
O5 Eu1 Zn1 35.5(2) . 42 ?
O4 Eu1 Zn1 35.66(19) . 42 ?
O12 Eu1 Zn1 89.9(3) . 42 ?
O11 Eu1 Zn1 89.7(3) . 42 ?
N1 Eu1 Zn1 164.6(3) 28_644 42 ?
C8 Eu1 Zn1 89.0(5) . 42 ?
Zn1 Eu1 Zn1 54.27(5) . 42 ?
Zn2 Eu1 Zn1 53.29(3) . 42 ?
O1W Eu2 O1W 115.9(2) 41_545 42 ?
O1W Eu2 O1W 115.9(2) 41_545 . ?
O1W Eu2 O1W 115.9(2) 42 . ?
O1W Eu2 O6 79.7(5) 41_545 . ?
O1W Eu2 O6 145.0(4) 42 . ?
O1W Eu2 O6 79.1(5) . . ?
O1W Eu2 O6 79.1(5) 41_545 41_545 ?
O1W Eu2 O6 79.7(5) 42 41_545 ?
O1W Eu2 O6 145.0(4) . 41_545 ?
O6 Eu2 O6 72.5(3) . 41_545 ?
O1W Eu2 O6 145.0(4) 41_545 42 ?
O1W Eu2 O6 79.1(5) 42 42 ?
O1W Eu2 O6 79.7(5) . 42 ?
O6 Eu2 O6 72.5(3) . 42 ?
O6 Eu2 O6 72.5(3) 41_545 42 ?
O1W Eu2 N2 78.1(4) 41_545 20_545 ?
O1W Eu2 N2 78.1(4) 42 20_545 ?
O1W Eu2 N2 78.1(4) . 20_545 ?
O6 Eu2 N2 136.9(2) . 20_545 ?
O6 Eu2 N2 136.9(2) 41_545 20_545 ?
O6 Eu2 N2 136.9(2) 42 20_545 ?
O1W Eu2 Zn2 115.1(4) 41_545 41_545 ?
O1W Eu2 Zn2 71.1(4) 42 41_545 ?
O1W Eu2 Zn2 115.5(4) . 41_545 ?
O6 Eu2 Zn2 73.8(2) . 41_545 ?
O6 Eu2 Zn2 36.7(2) 41_545 41_545 ?
O6 Eu2 Zn2 36.6(2) 42 41_545 ?
N2 Eu2 Zn2 149.23(3) 20_545 41_545 ?
O1W Eu2 Zn2 115.5(4) 41_545 42 ?
O1W Eu2 Zn2 115.1(4) 42 42 ?
O1W Eu2 Zn2 71.1(4) . 42 ?
O6 Eu2 Zn2 36.6(2) . 42 ?
O6 Eu2 Zn2 73.8(2) 41_545 42 ?
O6 Eu2 Zn2 36.7(2) 42 42 ?
N2 Eu2 Zn2 149.23(3) 20_545 42 ?
Zn2 Eu2 Zn2 52.60(4) 41_545 42 ?
O1W Eu2 Zn2 71.1(4) 41_545 . ?
O1W Eu2 Zn2 115.5(4) 42 . ?
O1W Eu2 Zn2 115.1(4) . . ?
O6 Eu2 Zn2 36.7(2) . . ?
O6 Eu2 Zn2 36.6(2) 41_545 . ?
O6 Eu2 Zn2 73.8(2) 42 . ?
N2 Eu2 Zn2 149.23(3) 20_545 . ?
Zn2 Eu2 Zn2 52.60(4) 41_545 . ?
Zn2 Eu2 Zn2 52.60(4) 42 . ?
O5 Zn1 O4 85.5(3) 41_545 41_545 ?
O5 Zn1 O3 172.0(3) 41_545 . ?
O4 Zn1 O3 92.4(3) 41_545 . ?
O5 Zn1 O5 93.0(5) 41_545 . ?
O4 Zn1 O5 171.6(3) 41_545 . ?
O3 Zn1 O5 87.9(3) . . ?
O5 Zn1 O7 93.8(4) 41_545 . ?
O4 Zn1 O7 94.8(4) 41_545 . ?
O3 Zn1 O7 94.1(4) . . ?
O5 Zn1 O7 93.5(4) . . ?
O5 Zn1 O2 86.6(3) 41_545 . ?
O4 Zn1 O2 85.7(3) 41_545 . ?
O3 Zn1 O2 85.5(3) . . ?
O5 Zn1 O2 86.0(3) . . ?
O7 Zn1 O2 179.3(3) . . ?
O5 Zn1 Zn2 130.6(2) 41_545 . ?
O4 Zn1 Zn2 88.9(2) 41_545 . ?
O3 Zn1 Zn2 41.5(2) . . ?
O5 Zn1 Zn2 85.8(2) . . ?
O7 Zn1 Zn2 135.6(3) . . ?
O2 Zn1 Zn2 44.0(2) . . ?
O5 Zn1 Zn2 86.0(2) 41_545 41_545 ?
O4 Zn1 Zn2 41.9(2) 41_545 41_545 ?
O3 Zn1 Zn2 87.3(2) . 41_545 ?
O5 Zn1 Zn2 129.8(2) . 41_545 ?
O7 Zn1 Zn2 136.7(3) . 41_545 ?
O2 Zn1 Zn2 43.9(2) . 41_545 ?
Zn2 Zn1 Zn2 59.28(6) . 41_545 ?
O5 Zn1 Zn1 88.5(2) 41_545 42 ?
O4 Zn1 Zn1 131.0(2) 41_545 42 ?
O3 Zn1 Zn1 87.0(2) . 42 ?
O5 Zn1 Zn1 40.6(2) . 42 ?
O7 Zn1 Zn1 134.1(3) . 42 ?
O2 Zn1 Zn1 45.4(2) . 42 ?
Zn2 Zn1 Zn1 59.69(4) . 42 ?
Zn2 Zn1 Zn1 89.24(4) 41_545 42 ?
O5 Zn1 Zn1 41.3(2) 41_545 41_545 ?
O4 Zn1 Zn1 85.4(2) 41_545 41_545 ?
O3 Zn1 Zn1 130.9(2) . 41_545 ?
O5 Zn1 Zn1 88.0(2) . 41_545 ?
O7 Zn1 Zn1 135.0(3) . 41_545 ?
O2 Zn1 Zn1 45.4(2) . 41_545 ?
Zn2 Zn1 Zn1 89.39(4) . 41_545 ?
Zn2 Zn1 Zn1 59.43(4) 41_545 41_545 ?
Zn1 Zn1 Zn1 60.002(1) 42 41_545 ?
O5 Zn1 Eu1 137.6(2) 41_545 . ?
O4 Zn1 Eu1 136.8(2) 41_545 . ?
O3 Zn1 Eu1 44.8(2) . . ?
O5 Zn1 Eu1 45.1(2) . . ?
O7 Zn1 Eu1 84.8(3) . . ?
O2 Zn1 Eu1 94.51(5) . . ?
Zn2 Zn1 Eu1 63.68(4) . . ?
Zn2 Zn1 Eu1 122.87(5) 41_545 . ?
Zn1 Zn1 Eu1 64.20(5) 42 . ?
Zn1 Zn1 Eu1 124.16(5) 41_545 . ?
O5 Zn1 Eu1 43.1(2) 41_545 41_545 ?
O4 Zn1 Eu1 43.5(2) 41_545 41_545 ?
O3 Zn1 Eu1 135.8(2) . 41_545 ?
O5 Zn1 Eu1 136.0(2) . 41_545 ?
O7 Zn1 Eu1 88.3(3) . 41_545 ?
O2 Zn1 Eu1 92.32(5) . 41_545 ?
Zn2 Zn1 Eu1 121.86(5) . 41_545 ?
Zn2 Zn1 Eu1 62.59(4) 41_545 41_545 ?
Zn1 Zn1 Eu1 121.50(5) 42 41_545 ?
Zn1 Zn1 Eu1 61.53(5) 41_545 41_545 ?
Eu1 Zn1 Eu1 173.17(5) . 41_545 ?
O3 Zn2 O4 87.3(3) . . ?
O3 Zn2 O6 91.9(3) . 41_545 ?
O4 Zn2 O6 174.9(3) . 41_545 ?
O3 Zn2 O6 175.2(3) . . ?
O4 Zn2 O6 93.6(3) . . ?
O6 Zn2 O6 86.8(5) 41_545 . ?
O3 Zn2 O10 93.0(4) . . ?
O4 Zn2 O10 93.7(4) . . ?
O6 Zn2 O10 91.4(4) 41_545 . ?
O6 Zn2 O10 91.6(4) . . ?
O3 Zn2 O2 88.0(3) . . ?
O4 Zn2 O2 87.5(3) . . ?
O6 Zn2 O2 87.5(3) 41_545 . ?
O6 Zn2 O2 87.4(3) . . ?
O10 Zn2 O2 178.5(5) . . ?
O3 Zn2 Zn2 88.5(2) . 41_545 ?
O4 Zn2 Zn2 131.9(2) . 41_545 ?
O6 Zn2 Zn2 43.0(3) 41_545 41_545 ?
O6 Zn2 Zn2 87.4(2) . 41_545 ?
O10 Zn2 Zn2 134.3(3) . 41_545 ?
O2 Zn2 Zn2 44.5(2) . 41_545 ?
O3 Zn2 Zn2 132.5(2) . 42 ?
O4 Zn2 Zn2 89.4(2) . 42 ?
O6 Zn2 Zn2 87.4(3) 41_545 42 ?
O6 Zn2 Zn2 42.9(2) . 42 ?
O10 Zn2 Zn2 134.5(3) . 42 ?
O2 Zn2 Zn2 44.5(2) . 42 ?
Zn2 Zn2 Zn2 60.0 41_545 42 ?
O3 Zn2 Zn1 41.8(2) . . ?
O4 Zn2 Zn1 86.3(2) . . ?
O6 Zn2 Zn1 89.8(3) 41_545 . ?
O6 Zn2 Zn1 133.6(2) . . ?
O10 Zn2 Zn1 134.8(3) . . ?
O2 Zn2 Zn1 46.2(2) . . ?
Zn2 Zn2 Zn1 60.49(5) 41_545 . ?
Zn2 Zn2 Zn1 90.77(4) 42 . ?
O3 Zn2 Zn1 88.2(2) . 42 ?
O4 Zn2 Zn1 41.4(2) . 42 ?
O6 Zn2 Zn1 133.5(3) 41_545 42 ?
O6 Zn2 Zn1 89.5(3) . 42 ?
O10 Zn2 Zn1 135.0(3) . 42 ?
O2 Zn2 Zn1 46.1(2) . 42 ?
Zn2 Zn2 Zn1 90.61(4) 41_545 42 ?
Zn2 Zn2 Zn1 60.23(4) 42 42 ?
Zn1 Zn2 Zn1 60.88(6) . 42 ?
O3 Zn2 Eu1 43.9(2) . . ?
O4 Zn2 Eu1 44.6(2) . . ?
O6 Zn2 Eu1 135.4(3) 41_545 . ?
O6 Zn2 Eu1 137.8(3) . . ?
O10 Zn2 Eu1 86.4(3) . . ?
O2 Zn2 Eu1 95.1(3) . . ?
Zn2 Zn2 Eu1 122.90(4) 41_545 . ?
Zn2 Zn2 Eu1 124.33(4) 42 . ?
Zn1 Zn2 Eu1 62.50(4) . . ?
Zn1 Zn2 Eu1 64.12(4) 42 . ?
O3 Zn2 Eu2 135.4(2) . . ?
O4 Zn2 Eu2 137.2(2) . . ?
O6 Zn2 Eu2 43.9(2) 41_545 . ?
O6 Zn2 Eu2 43.9(3) . . ?
O10 Zn2 Eu2 84.7(3) . . ?
O2 Zn2 Eu2 93.8(3) . . ?
Zn2 Zn2 Eu2 63.70(2) 41_545 . ?
Zn2 Zn2 Eu2 63.70(2) 42 . ?
Zn1 Zn2 Eu2 124.09(5) . . ?
Zn1 Zn2 Eu2 123.82(5) 42 . ?
Eu1 Zn2 Eu2 170.95(5) . . ?
Eu2 O1W H1WA 120.0 . . ?
Eu2 O1W H1WB 120.0 . . ?
H1WA O1W H1WB 120.0 . . ?
Zn2 O2 Zn2 90.9(4) . 42 ?
Zn2 O2 Zn2 90.9(4) . 41_545 ?
Zn2 O2 Zn2 90.9(4) 42 41_545 ?
Zn2 O2 Zn1 89.75(6) . . ?
Zn2 O2 Zn1 178.8(6) 42 . ?
Zn2 O2 Zn1 90.06(6) 41_545 . ?
Zn2 O2 Zn1 90.06(6) . 42 ?
Zn2 O2 Zn1 89.76(6) 42 42 ?
Zn2 O2 Zn1 178.8(6) 41_545 42 ?
Zn1 O2 Zn1 89.2(4) . 42 ?
Zn2 O2 Zn1 178.8(6) . 41_545 ?
Zn2 O2 Zn1 90.06(6) 42 41_545 ?
Zn2 O2 Zn1 89.76(6) 41_545 41_545 ?
Zn1 O2 Zn1 89.3(4) . 41_545 ?
Zn1 O2 Zn1 89.3(4) 42 41_545 ?
C18 O3 Zn2 117.9(8) . . ?
C18 O3 Zn1 117.8(7) . . ?
Zn2 O3 Zn1 96.8(3) . . ?
C18 O3 Eu1 121.9(7) . . ?
Zn2 O3 Eu1 99.7(3) . . ?
Zn1 O3 Eu1 98.0(3) . . ?
C19 O4 Zn1 116.2(8) . 42 ?
C19 O4 Zn2 116.7(7) . . ?
Zn1 O4 Zn2 96.7(3) 42 . ?
C19 O4 Eu1 123.3(7) . . ?
Zn1 O4 Eu1 100.8(3) 42 . ?
Zn2 O4 Eu1 98.5(3) . . ?
C11 O5 Zn1 115.9(7) . 42 ?
C11 O5 Zn1 117.1(7) . . ?
Zn1 O5 Zn1 98.1(3) 42 . ?
C11 O5 Eu1 122.7(7) . . ?
Zn1 O5 Eu1 101.4(3) 42 . ?
Zn1 O5 Eu1 97.3(3) . . ?
C20 O6 Zn2 118.7(8) . 42 ?
C20 O6 Zn2 116.2(8) . . ?
Zn2 O6 Zn2 94.1(3) 42 . ?
C20 O6 Eu2 123.4(7) . . ?
Zn2 O6 Eu2 99.5(4) 42 . ?
Zn2 O6 Eu2 99.4(4) . . ?
C6 O7 Zn1 123.6(10) . . ?
C6 O8 Eu1 139.4(9) . . ?
C7 O9 Eu1 133.0(13) . . ?
C7 O10 Zn2 119.0(12) . . ?
C8 O11 Eu1 92.7(14) . . ?
C8 O12 Eu1 89.7(13) . . ?
C5 N1 C15 114.8(15) . . ?
C5 N1 Eu1 123.4(11) . 2_565 ?
C15 N1 Eu1 121.0(12) . 2_565 ?
C16 N2 C16 94.5(13) 42 41_545 ?
C16 N2 C16 94.5(13) 42 . ?
C16 N2 C16 94.5(13) 41_545 . ?
C16 N2 Eu2 122.0(10) 42 44_544 ?
C16 N2 Eu2 122.0(10) 41_545 44_544 ?
C16 N2 Eu2 122.0(10) . 44_544 ?
C10 C1 C11 105.2(10) . 42 ?
C10 C1 C11 105.2(10) . 41_545 ?
C11 C1 C11 113.4(8) 42 41_545 ?
C10 C1 C11 105.2(10) . . ?
C11 C1 C11 113.4(8) 42 . ?
C11 C1 C11 113.4(8) 41_545 . ?
C3 C2 C4 114.2(15) . . ?
C3 C2 C14 123.1(14) . . ?
C4 C2 C14 122.6(13) . . ?
C2 C3 C15 122.6(19) . . ?
C2 C3 H3A 118.7 . . ?
C15 C3 H3A 118.7 . . ?
C2 C4 C5 120.6(17) . . ?
C2 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
N1 C5 C4 123.3(18) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
O7 C6 O8 126.2(13) . . ?
O7 C6 C12 115.9(15) . . ?
O8 C6 C12 117.9(15) . . ?
O9 C7 O10 132.8(19) . . ?
O9 C7 C9 114(2) . . ?
O10 C7 C9 113(2) . . ?
O11 C8 O12 123(2) . . ?
O11 C8 C13 117(3) . . ?
O12 C8 C13 120(3) . . ?
O11 C8 Eu1 61.5(12) . . ?
O12 C8 Eu1 61.3(10) . . ?
C13 C8 Eu1 173(2) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C17 C10 C17 94.5(13) 42 41_545 ?
C17 C10 C17 94.5(13) 42 . ?
C17 C10 C17 94.5(13) 41_545 . ?
C17 C10 C1 122.0(10) 42 . ?
C17 C10 C1 122.0(10) 41_545 . ?
C17 C10 C1 122.0(10) . . ?
O5 C11 C1 114.4(12) . . ?
O5 C11 H11A 108.7 . . ?
C1 C11 H11A 108.7 . . ?
O5 C11 H11B 108.7 . . ?
C1 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C6 C12 H12A 109.5 . . ?
C6 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C6 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C18 C14 C19 113.3(11) . 41_545 ?
C18 C14 C2 108.3(11) . . ?
C19 C14 C2 105.4(10) 41_545 . ?
C18 C14 C20 112.1(11) . 41_545 ?
C19 C14 C20 114.6(11) 41_545 41_545 ?
C2 C14 C20 102.0(10) . 41_545 ?
N1 C15 C3 124.5(19) . . ?
N1 C15 H15A 117.8 . . ?
C3 C15 H15A 117.8 . . ?
N2 C16 C17 123.1(14) . . ?
N2 C16 C16 42.8(7) . 42 ?
C17 C16 C16 90.9(7) . 42 ?
N2 C16 C16 42.8(7) . 41_545 ?
C17 C16 C16 90.9(7) . 41_545 ?
C16 C16 C16 59.995(2) 42 41_545 ?
N2 C16 H16A 118.5 . . ?
C17 C16 H16A 118.5 . . ?
C16 C16 H16A 138.9 42 . ?
C16 C16 H16A 138.9 41_545 . ?
C10 C17 C16 121.0(14) . . ?
C10 C17 C17 42.8(7) . 41_545 ?
C16 C17 C17 89.1(7) . 41_545 ?
C10 C17 C17 42.8(7) . 42 ?
C16 C17 C17 89.1(7) . 42 ?
C17 C17 C17 60.001(2) 41_545 42 ?
C10 C17 H17A 119.5 . . ?
C16 C17 H17A 119.5 . . ?
C17 C17 H17A 139.6 41_545 . ?
C17 C17 H17A 139.6 42 . ?
O3 C18 C14 114.0(10) . . ?
O3 C18 H18A 108.8 . . ?
C14 C18 H18A 108.8 . . ?
O3 C18 H18B 108.8 . . ?
C14 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
O4 C19 C14 115.0(10) . 42 ?
O4 C19 H19A 108.5 . . ?
C14 C19 H19A 108.5 42 . ?
O4 C19 H19B 108.5 . . ?
C14 C19 H19B 108.5 42 . ?
H19A C19 H19B 107.5 . . ?
O6 C20 C14 115.2(10) . 42 ?
O6 C20 H20A 108.5 . . ?
C14 C20 H20A 108.5 42 . ?
O6 C20 H20B 108.5 . . ?
C14 C20 H20B 108.5 42 . ?
H20A C20 H20B 107.5 . . ?
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 O8 2.343(10) . ?
Eu1 O9 2.367(9) . ?
Eu1 O3 2.399(8) . ?
Eu1 O5 2.406(8) . ?
Eu1 O4 2.420(8) . ?
Eu1 O12 2.446(11) . ?
Eu1 O11 2.455(13) . ?
Eu1 N1 2.570(12) 28_644 ?
Eu1 C8 2.79(2) . ?
Eu1 Zn1 3.3715(16) . ?
Eu1 Zn2 3.4070(16) . ?
Eu1 Zn1 3.4528(16) 42 ?
Eu2 O1W 2.309(14) 41_545 ?
Eu2 O1W 2.309(14) 42 ?
Eu2 O1W 2.309(14) . ?
Eu2 O6 2.410(9) . ?
Eu2 O6 2.410(9) 41_545 ?
Eu2 O6 2.410(9) 42 ?
Eu2 N2 2.473(19) 20_545 ?
Eu2 Zn2 3.4298(18) 41_545 ?
Eu2 Zn2 3.4298(18) 42 ?
Eu2 Zn2 3.4299(18) . ?
Zn1 O5 2.047(8) 41_545 ?
Zn1 O4 2.050(8) 41_545 ?
Zn1 O3 2.058(8) . ?
Zn1 O5 2.075(8) . ?
Zn1 O7 2.087(9) . ?
Zn1 O2 2.216(8) . ?
Zn1 Zn2 3.0684(19) . ?
Zn1 Zn2 3.077(2) 41_545 ?
Zn1 Zn1 3.113(2) 42 ?
Zn1 Zn1 3.113(2) 41_545 ?
Zn2 O3 2.047(9) . ?
Zn2 O4 2.068(8) . ?
Zn2 O6 2.074(9) 41_545 ?
Zn2 O6 2.077(9) . ?
Zn2 O10 2.114(10) . ?
Zn2 O2 2.132(8) . ?
Zn2 Zn2 3.039(2) 41_545 ?
Zn2 Zn2 3.039(2) 42 ?
O1W H1WA 0.9300 . ?
O1W H1WB 0.9300 . ?
O3 C18 1.437(14) . ?
O4 C19 1.439(14) . ?
O5 C11 1.428(15) . ?
O6 C20 1.411(16) . ?
O7 C6 1.242(17) . ?
O8 C6 1.251(18) . ?
O9 C7 1.29(3) . ?
O10 C7 1.35(3) . ?
O11 C8 1.22(3) . ?
O12 C8 1.35(3) . ?
N1 C5 1.28(2) . ?
N1 C15 1.32(2) . ?
N2 C16 1.346(13) 42 ?
N2 C16 1.346(13) 41_545 ?
N2 C16 1.346(13) . ?
C1 C10 1.54(3) . ?
C1 C11 1.551(15) 42 ?
C1 C11 1.551(15) 41_545 ?
C1 C11 1.551(15) . ?
C2 C3 1.32(2) . ?
C2 C4 1.37(2) . ?
C2 C14 1.550(18) . ?
C3 C15 1.37(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.43(2) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 C12 1.55(2) . ?
C7 C9 1.531(13) . ?
C8 C13 1.45(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C17 1.376(13) 42 ?
C10 C17 1.376(13) 41_545 ?
C10 C17 1.376(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C18 1.537(18) . ?
C14 C19 1.536(18) 41_545 ?
C14 C20 1.549(19) 41_545 ?
C15 H15A 0.9300 . ?
C16 C17 1.382(12) . ?
C16 C16 1.98(3) 42 ?
C16 C16 1.98(3) 41_545 ?
C16 H16A 0.9300 . ?
C17 C17 2.02(3) 41_545 ?
C17 C17 2.02(3) 42 ?
C17 H17A 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
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 0.251 -0.009 -0.005 19589 6053 ' '
