#------------------------------------------------------------------------------
#$Date: 2019-11-10 19:26:48 +0200 (Sun, 10 Nov 2019) $
#$Revision: 226038 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/59/4515991.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_4515991
loop_
_publ_author_name
'Yao, Jin'
'Zhao, Yan-Wu'
'Zhang, Xian-Ming'
_publ_section_title
;
 Breathing Europium-Terbium Co-doped Luminescent MOF as a Broad-Range
 Ratiometric Thermometer with a Contrasting Temperature-Intensity
 Relationship.
;
_journal_issue                   5
_journal_name_full               'ACS omega'
_journal_page_first              5754
_journal_page_last               5760
_journal_paper_doi               10.1021/acsomega.8b00199
_journal_volume                  3
_journal_year                    2018
_chemical_formula_sum            'C48 H30 Eu2 N12 O12'
_chemical_formula_weight         1270.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 103.351(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.3277(14)
_cell_length_b                   21.7233(18)
_cell_length_c                   15.2203(5)
_cell_measurement_reflns_used    5256
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.7190
_cell_measurement_theta_min      3.6000
_cell_volume                     9434.7(10)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0788
_diffrn_reflns_av_unetI/netI     0.1388
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44271
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.307
_exptl_absorpt_coefficient_mu    1.357
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95772
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.895
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_refine_diff_density_max         9.081
_refine_diff_density_min         -6.066
_refine_diff_density_rms         0.330
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         19245
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.1917
_refine_ls_R_factor_gt           0.1499
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1220P)²+533.7440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3856
_refine_ls_wR_factor_ref         0.4087
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13077
_reflns_number_total             19245
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ao8b00199_si_002.cif
_cod_data_source_block           yaojin-20180129
_cod_original_cell_volume        9434.6(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4515991
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.755
_shelx_estimated_absorpt_t_max   0.876
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Eu1 Eu 1.23394(3) 0.26551(4) 1.40598(6) 0.0195(2) Uani 1 1 d . .
Eu2 Eu 0.73486(3) 0.75090(4) 0.82729(6) 0.0204(2) Uani 1 1 d . .
O6 O 0.8007(4) 0.7635(6) 0.9499(9) 0.028(3) Uani 1 1 d . .
O8 O 0.6557(5) 0.7703(8) 0.7454(10) 0.046(4) Uani 1 1 d . .
N4 N 1.0892(8) 0.5391(10) 0.9092(14) 0.058(6) Uani 1 1 d . .
N5 N 1.0463(8) 0.6140(9) 0.8043(16) 0.061(7) Uani 1 1 d . .
H5 H 1.0419 0.6325 0.7531 0.073 Uiso 1 1 calc R U
C24 C 0.8372(7) 0.7392(8) 0.9998(14) 0.030(4) Uani 1 1 d . .
C26 C 0.6210(6) 0.7755(9) 0.5869(15) 0.031(4) Uani 1 1 d . .
C25 C 0.6591(6) 0.7587(8) 0.6675(12) 0.025(4) Uani 1 1 d . .
C22 C 0.9160(9) 0.6902(12) 1.0100(16) 0.051(7) Uani 1 1 d . .
H22 H 0.9153 0.6790 1.0687 0.062 Uiso 1 1 calc R U
C28 C 0.5862(7) 0.7755(11) 0.4326(13) 0.039(5) Uani 1 1 d . .
H28 H 0.5850 0.7598 0.3753 0.047 Uiso 1 1 calc R U
C38 C 0.3282(8) 1.1032(10) 0.5155(14) 0.037(5) Uani 1 1 d . .
N7 N 0.5184(7) 0.8368(10) 0.3667(12) 0.053(6) Uani 1 1 d . .
H7 H 0.5200 0.8179 0.3178 0.064 Uiso 1 1 calc R U
N2 N 1.1038(9) 0.5555(10) 0.7658(15) 0.066(8) Uani 1 1 d . .
H2 H 1.1184 0.5879 0.7552 0.080 Uiso 1 1 d R U
C19 C 0.9178(8) 0.7284(12) 0.8384(16) 0.049(6) Uani 1 1 d . .
H19 H 0.9179 0.7395 0.7794 0.059 Uiso 1 1 calc R U
C2 C 1.1584(8) 0.3982(10) 1.1878(14) 0.040(5) Uani 1 1 d . .
C29 C 0.5519(7) 0.8174(10) 0.4453(13) 0.034(5) Uani 1 1 d . .
O5 O 0.8413(5) 0.7268(9) 1.0773(9) 0.051(5) Uani 1 1 d . .
N3 N 0.9886(7) 0.6688(10) 0.8404(13) 0.054(6) Uani 1 1 d . .
H3 H 0.9878 0.6854 0.7888 0.065 Uiso 1 1 calc R U
N8 N 0.4257(7) 0.9701(10) 0.4825(13) 0.053(6) Uani 1 1 d . .
H8 H 0.4406 0.9547 0.5330 0.063 Uiso 1 1 calc R U
C20 C 0.8817(8) 0.7492(10) 0.8761(16) 0.041(5) Uani 1 1 d . .
H20 H 0.8597 0.7775 0.8460 0.049 Uiso 1 1 calc R U
N6 N 1.0288(8) 0.5994(10) 0.9450(14) 0.058(6) Uani 1 1 d . .
C30 C 0.5512(8) 0.8332(11) 0.5374(14) 0.046(6) Uani 1 1 d . .
H30 H 0.5267 0.8568 0.5487 0.055 Uiso 1 1 calc R U
N11 N 0.4732(6) 0.9053(10) 0.4271(14) 0.049(5) Uani 1 1 d . .
C3 C 1.1215(9) 0.4199(12) 1.2210(16) 0.053(7) Uani 1 1 d . .
H3A H 1.1161 0.4058 1.2755 0.064 Uiso 1 1 calc R U
O2 O 1.1815(7) 0.3322(7) 1.3143(12) 0.054(5) Uani 1 1 d . .
C10 C 1.0783(9) 0.5703(12) 0.8307(18) 0.056(8) Uani 1 1 d . .
N10 N 0.4647(8) 0.8926(11) 0.2686(13) 0.063(7) Uani 1 1 d . .
H10 H 0.4735 0.8762 0.2238 0.076 Uiso 1 1 calc R U
C44 C 0.3145(12) 1.0343(13) 0.0214(17) 0.069(9) Uani 1 1 d . .
H44 H 0.2935 1.0286 -0.0340 0.083 Uiso 1 1 calc R U
C9 C 1.0214(9) 0.6261(11) 0.8669(16) 0.046(6) Uani 1 1 d . .
C48 C 0.2870(8) 1.1417(11) 0.0209(14) 0.039(5) Uani 1 1 d . .
C45 C 0.3178(8) 1.0899(10) 0.0656(14) 0.037(5) Uani 1 1 d . .
C35 C 0.3916(8) 1.0143(11) 0.4880(14) 0.043(6) Uani 1 1 d . .
C27 C 0.6205(7) 0.7580(11) 0.5013(18) 0.047(6) Uani 1 1 d . .
H27 H 0.6445 0.7333 0.4905 0.056 Uiso 1 1 calc R U
C41 C 0.2944(8) 1.1515(10) 0.5300(14) 0.038(5) Uani 1 1 d . .
C32 C 0.4847(9) 0.8796(11) 0.3565(14) 0.045(6) Uani 1 1 d . .
C37 C 0.3248(9) 1.0789(11) 0.4320(17) 0.048(6) Uani 1 1 d . .
H37 H 0.3012 1.0930 0.3845 0.058 Uiso 1 1 calc R U
C7 C 1.1693(10) 0.4202(14) 1.1129(19) 0.064(8) Uani 1 1 d . .
H7A H 1.1962 0.4074 1.0958 0.076 Uiso 1 1 calc R U
C1 C 1.1883(9) 0.3484(11) 1.2428(18) 0.048(6) Uani 1 1 d . .
C47 C 0.3800(9) 1.0511(14) 0.1790(19) 0.060(8) Uani 1 1 d . .
H47 H 0.4029 1.0582 0.2315 0.072 Uiso 1 1 calc R U
C21 C 0.8796(8) 0.7266(11) 0.9584(15) 0.041(5) Uani 1 1 d . .
N9 N 0.4081(10) 0.9470(12) 0.1709(13) 0.081(10) Uani 1 1 d . .
H9 H 0.4139 0.9228 0.1301 0.097 Uiso 1 1 calc R U
C42 C 0.3778(10) 0.9956(12) 0.1413(15) 0.058(8) Uani 1 1 d . .
N12 N 0.4168(7) 0.9640(10) 0.3242(12) 0.049(5) Uani 1 1 d . .
C36 C 0.3551(8) 1.0342(11) 0.4151(15) 0.044(6) Uani 1 1 d . .
H36 H 0.3518 1.0177 0.3576 0.053 Uiso 1 1 calc R U
C31 C 0.5860(8) 0.8138(13) 0.6079(15) 0.048(6) Uani 1 1 d . .
H31 H 0.5867 0.8253 0.6670 0.058 Uiso 1 1 calc R U
N1 N 1.0704(9) 0.5299(12) 1.0468(15) 0.073(8) Uani 1 1 d . .
C39 C 0.3621(10) 1.0831(13) 0.5869(17) 0.059(8) Uani 1 1 d . .
H39 H 0.3640 1.0989 0.6445 0.070 Uiso 1 1 calc R U
C18 C 0.9543(8) 0.6910(12) 0.8870(16) 0.048(6) Uani 1 1 d . .
C34 C 0.4384(8) 0.9479(11) 0.4058(15) 0.046(6) Uani 1 1 d . .
C46 C 0.3498(8) 1.0992(11) 0.1439(15) 0.043(5) Uani 1 1 d . .
H46 H 0.3516 1.1368 0.1737 0.051 Uiso 1 1 calc R U
C6 C 1.1385(10) 0.4636(14) 1.0607(17) 0.062(8) Uani 1 1 d . .
H6 H 1.1439 0.4771 1.0060 0.075 Uiso 1 1 calc R U
C23 C 0.9528(10) 0.6709(14) 0.9729(17) 0.062(8) Uani 1 1 d . .
H23 H 0.9760 0.6451 1.0051 0.074 Uiso 1 1 calc R U
C8 C 1.0625(9) 0.5565(13) 0.9641(16) 0.056(8) Uani 1 1 d . .
C4 C 1.0927(10) 0.4638(14) 1.1691(18) 0.068(9) Uani 1 1 d . .
H4 H 1.0670 0.4782 1.1893 0.082 Uiso 1 1 calc R U
C40 C 0.3946(11) 1.0377(13) 0.5724(18) 0.063(8) Uani 1 1 d . .
H40 H 0.4180 1.0240 0.6206 0.075 Uiso 1 1 calc R U
C5 C 1.1000(10) 0.4866(13) 1.0905(17) 0.055(7) Uani 1 1 d . .
C33 C 0.4299(11) 0.9338(13) 0.2591(17) 0.074(11) Uani 1 1 d . .
O11 O 0.2652(5) 1.1730(6) 0.4664(10) 0.033(3) Uani 1 1 d . .
O1 O 1.2232(6) 0.3276(9) 1.2137(14) 0.061(5) Uani 1 1 d . .
C43 C 0.3434(12) 0.9872(13) 0.0617(18) 0.074(10) Uani 1 1 d . .
H43 H 0.3398 0.9484 0.0351 0.089 Uiso 1 1 calc R U
C11 C 1.1339(9) 0.5035(11) 0.7660(16) 0.049(6) Uani 1 1 d . .
C16 C 1.1282(9) 0.4496(11) 0.8062(17) 0.049(6) Uani 1 1 d . .
H16 H 1.1040 0.4454 0.8359 0.059 Uiso 1 1 calc R U
C12 C 1.1698(10) 0.5105(12) 0.7228(19) 0.061(8) Uani 1 1 d . .
H12 H 1.1744 0.5484 0.6978 0.073 Uiso 1 1 calc R U
C15 C 1.1575(8) 0.4009(11) 0.8039(17) 0.043(5) Uani 1 1 d . .
H15 H 1.1536 0.3645 0.8336 0.052 Uiso 1 1 calc R U
C13 C 1.1996(11) 0.4612(11) 0.716(2) 0.063(8) Uani 1 1 d . .
H13 H 1.2232 0.4653 0.6849 0.076 Uiso 1 1 calc R U
C14 C 1.1926(8) 0.4055(10) 0.7578(15) 0.042(5) Uani 1 1 d . .
O9 O 0.2572(6) 1.1300(7) -0.0553(11) 0.053(5) Uani 1 1 d . .
O3 O 1.2144(4) 0.2996(6) 0.7735(9) 0.029(3) Uani 1 1 d . .
O4 O 1.2531(5) 0.3582(7) 0.6992(10) 0.040(4) Uani 1 1 d . .
C17 C 1.2214(7) 0.3519(8) 0.7423(12) 0.026(4) Uani 1 1 d . .
O10 O 0.2898(4) 1.1951(6) 0.0527(8) 0.024(3) Uani 1 1 d . .
O12 O 0.2985(7) 1.1707(7) 0.6105(11) 0.056(5) Uani 1 1 d . .
O0AA O 0.6967(5) 0.7349(7) 0.6607(10) 0.038(3) Uiso 1 1 d . .
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'
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
O11 Eu1 O2 157.9(5) 1_646 .
O11 Eu1 O9 131.3(5) 1_646 4_677
O2 Eu1 O9 70.8(5) . 4_677
O11 Eu1 O3 79.6(5) 1_646 4_566
O2 Eu1 O3 82.4(5) . 4_566
O9 Eu1 O3 139.0(5) 4_677 4_566
O11 Eu1 O5 86.8(6) 1_646 2_747
O2 Eu1 O5 77.7(7) . 2_747
O9 Eu1 O5 121.0(6) 4_677 2_747
O3 Eu1 O5 80.8(4) 4_566 2_747
O11 Eu1 O0AA 82.6(5) 1_646 3_767
O2 Eu1 O0AA 104.4(6) . 3_767
O9 Eu1 O0AA 83.7(6) 4_677 3_767
O3 Eu1 O0AA 73.4(4) 4_566 3_767
O5 Eu1 O0AA 153.5(5) 2_747 3_767
O11 Eu1 O10 80.2(5) 1_646 4_677
O2 Eu1 O10 120.7(5) . 4_677
O9 Eu1 O10 52.4(5) 4_677 4_677
O3 Eu1 O10 153.1(4) 4_566 4_677
O5 Eu1 O10 115.7(4) 2_747 4_677
O0AA Eu1 O10 86.5(4) 3_767 4_677
O11 Eu1 O6 81.2(4) 1_646 2_747
O2 Eu1 O6 100.5(6) . 2_747
O9 Eu1 O6 87.3(5) 4_677 2_747
O3 Eu1 O6 128.7(4) 4_566 2_747
O5 Eu1 O6 50.9(4) 2_747 2_747
O0AA Eu1 O6 149.0(4) 3_767 2_747
O10 Eu1 O6 64.8(4) 4_677 2_747
O11 Eu1 C24 84.0(5) 1_646 2_747
O2 Eu1 C24 88.1(7) . 2_747
O9 Eu1 C24 105.4(6) 4_677 2_747
O3 Eu1 C24 104.0(5) 4_566 2_747
O5 Eu1 C24 24.4(5) 2_747 2_747
O0AA Eu1 C24 166.6(5) 3_767 2_747
O10 Eu1 C24 91.4(5) 4_677 2_747
O6 Eu1 C24 26.6(5) 2_747 2_747
O11 Eu1 C48 104.9(6) 1_646 4_677
O2 Eu1 C48 96.8(6) . 4_677
O9 Eu1 C48 26.8(6) 4_677 4_677
O3 Eu1 C48 154.9(5) 4_566 4_677
O5 Eu1 C48 123.7(6) 2_747 4_677
O0AA Eu1 C48 82.6(6) 3_767 4_677
O10 Eu1 C48 25.8(5) 4_677 4_677
O6 Eu1 C48 76.2(5) 2_747 4_677
C24 Eu1 C48 101.0(6) 2_747 4_677
O11 Eu1 C1 151.6(6) 1_646 .
O2 Eu1 C1 19.6(7) . .
O9 Eu1 C1 72.2(6) 4_677 .
O3 Eu1 C1 72.4(6) 4_566 .
O5 Eu1 C1 92.9(7) 2_747 .
O0AA Eu1 C1 85.2(6) 3_767 .
O10 Eu1 C1 124.6(5) 4_677 .
O6 Eu1 C1 120.0(6) 2_747 .
C24 Eu1 C1 106.7(7) 2_747 .
C48 Eu1 C1 98.8(7) 4_677 .
O11 Eu1 Eu2 97.4(3) 1_646 3_767
O2 Eu1 Eu2 76.8(5) . 3_767
O9 Eu1 Eu2 101.4(5) 4_677 3_767
O3 Eu1 Eu2 41.0(3) 4_566 3_767
O5 Eu1 Eu2 118.4(3) 2_747 3_767
O0AA Eu1 Eu2 40.1(3) 3_767 3_767
O10 Eu1 Eu2 125.6(3) 4_677 3_767
O6 Eu1 Eu2 169.2(3) 2_747 3_767
C24 Eu1 Eu2 142.8(4) 2_747 3_767
C48 Eu1 Eu2 114.3(5) 4_677 3_767
C1 Eu1 Eu2 58.1(5) . 3_767
O1 Eu2 O12 81.6(7) 3_767 2_646
O1 Eu2 O6 84.8(5) 3_767 .
O12 Eu2 O6 96.3(6) 2_646 .
O1 Eu2 O8 120.5(6) 3_767 .
O12 Eu2 O8 84.0(7) 2_646 .
O6 Eu2 O8 154.3(5) . .
O1 Eu2 O4 124.9(6) 3_767 2_756
O12 Eu2 O4 153.3(6) 2_646 2_756
O6 Eu2 O4 84.0(5) . 2_756
O8 Eu2 O4 84.5(6) . 2_756
O1 Eu2 O10 147.9(6) 3_767 3_676
O12 Eu2 O10 80.0(5) 2_646 3_676
O6 Eu2 O10 71.4(4) . 3_676
O8 Eu2 O10 83.4(4) . 3_676
O4 Eu2 O10 74.8(4) 2_756 3_676
O1 Eu2 O0AA 76.4(6) 3_767 .
O12 Eu2 O0AA 100.1(5) 2_646 .
O6 Eu2 O0AA 152.8(4) . .
O8 Eu2 O0AA 50.1(5) . .
O4 Eu2 O0AA 90.7(5) 2_756 .
O10 Eu2 O0AA 132.8(4) 3_676 .
O1 Eu2 O3 73.9(6) 3_767 2_756
O12 Eu2 O3 154.9(6) 2_646 2_756
O6 Eu2 O3 86.8(4) . 2_756
O8 Eu2 O3 103.8(5) . 2_756
O4 Eu2 O3 51.7(4) 2_756 2_756
O10 Eu2 O3 124.2(4) 3_676 2_756
O0AA Eu2 O3 69.3(4) . 2_756
O1 Eu2 C17 99.0(6) 3_767 2_756
O12 Eu2 C17 177.5(6) 2_646 2_756
O6 Eu2 C17 81.4(5) . 2_756
O8 Eu2 C17 97.8(6) . 2_756
O4 Eu2 C17 25.9(5) 2_756 2_756
O10 Eu2 C17 98.4(5) 3_676 2_756
O0AA Eu2 C17 82.4(5) . 2_756
O3 Eu2 C17 26.2(5) 2_756 2_756
O1 Eu2 C25 99.9(6) 3_767 .
O12 Eu2 C25 94.2(6) 2_646 .
O6 Eu2 C25 169.1(5) . .
O8 Eu2 C25 24.9(5) . .
O4 Eu2 C25 85.2(5) 2_756 .
O10 Eu2 C25 107.5(5) 3_676 .
O0AA Eu2 C25 25.4(5) . .
O3 Eu2 C25 85.0(5) 2_756 .
C17 Eu2 C25 88.1(5) 2_756 .
O1 Eu2 Eu1 54.8(5) 3_767 3_767
O12 Eu2 Eu1 121.2(4) 2_646 3_767
O6 Eu2 Eu1 114.2(3) . 3_767
O8 Eu2 Eu1 86.9(4) . 3_767
O4 Eu2 Eu1 82.0(3) 2_756 3_767
O10 Eu2 Eu1 155.6(3) 3_676 3_767
O0AA Eu2 Eu1 38.7(3) . 3_767
O3 Eu2 Eu1 37.7(3) 2_756 3_767
C17 Eu2 Eu1 60.8(4) 2_756 3_767
C25 Eu2 Eu1 62.2(4) . 3_767
O1 Eu2 Eu1 109.3(5) 3_767 2_757
O12 Eu2 Eu1 70.1(4) 2_646 2_757
O6 Eu2 Eu1 39.7(3) . 2_757
O8 Eu2 Eu1 119.0(4) . 2_757
O4 Eu2 Eu1 94.9(4) 2_756 2_757
O10 Eu2 Eu1 39.3(3) 3_676 2_757
O0AA Eu2 Eu1 167.2(3) . 2_757
O3 Eu2 Eu1 123.0(3) 2_756 2_757
C17 Eu2 Eu1 107.5(4) 2_756 2_757
C25 Eu2 Eu1 143.8(4) . 2_757
Eu1 Eu2 Eu1 153.74(3) 3_767 2_757
C24 O6 Eu2 147.2(13) . .
C24 O6 Eu1 86.8(12) . 2_757
Eu2 O6 Eu1 105.0(4) . 2_757
C25 O8 Eu2 100.3(12) . .
C8 N4 C10 111.2(17) . .
C10 N5 C9 113(2) . .
O5 C24 O6 124.1(19) . .
O5 C24 C21 117.5(17) . .
O6 C24 C21 118.4(18) . .
O5 C24 Eu1 57.5(11) . 2_757
O6 C24 Eu1 66.7(10) . 2_757
C21 C24 Eu1 173.8(15) . 2_757
C27 C26 C31 122.3(19) . .
C27 C26 C25 124.0(17) . .
C31 C26 C25 113.7(18) . .
O8 C25 O0AA 115.7(16) . .
O8 C25 C26 121.6(17) . .
O0AA C25 C26 122.7(17) . .
O8 C25 Eu2 54.8(9) . .
O0AA C25 Eu2 61.5(10) . .
C26 C25 Eu2 169.3(13) . .
C23 C22 C21 120(2) . .
C27 C28 C29 121.0(19) . .
C37 C38 C39 120(2) . .
C37 C38 C41 120(2) . .
C39 C38 C41 119.6(19) . .
C32 N7 C29 130.5(18) . .
C10 N2 C11 127.3(19) . .
C20 C19 C18 122(2) . .
C7 C2 C3 123(2) . .
C7 C2 C1 120(2) . .
C3 C2 C1 116(2) . .
C28 C29 N7 117.0(17) . .
C28 C29 C30 117.2(17) . .
N7 C29 C30 125.6(17) . .
C24 O5 Eu1 98.2(12) . 2_757
C9 N3 C18 128.4(19) . .
C34 N8 C35 128.3(18) . .
C21 C20 C19 117.6(19) . .
C9 N6 C8 118(2) . .
C31 C30 C29 120.8(19) . .
C32 N11 C34 114.3(19) . .
C2 C3 C4 117(2) . .
C1 O2 Eu1 119.8(17) . .
N5 C10 N4 129.3(19) . .
N5 C10 N2 114(2) . .
N4 C10 N2 116.8(18) . .
C33 N10 C32 113(2) . .
C45 C44 C43 118(2) . .
N6 C9 N3 123(2) . .
N6 C9 N5 124(2) . .
N3 C9 N5 113(2) . .
O10 C48 O9 119.7(19) . .
O10 C48 C45 122.6(18) . .
O9 C48 C45 118(2) . .
O10 C48 Eu1 64.2(10) . 4_474
O9 C48 Eu1 56.0(11) . 4_474
C45 C48 Eu1 169.3(15) . 4_474
C46 C45 C44 121(2) . .
C46 C45 C48 121(2) . .
C44 C45 C48 118.0(19) . .
C40 C35 N8 114.7(19) . .
C40 C35 C36 120(2) . .
N8 C35 C36 125.5(19) . .
C28 C27 C26 121.1(19) . .
O11 C41 O12 122.0(19) . .
O11 C41 C38 121.1(18) . .
O12 C41 C38 117(2) . .
N11 C32 N7 121.3(18) . .
N11 C32 N10 125.4(19) . .
N7 C32 N10 113(2) . .
C38 C37 C36 122(2) . .
C2 C7 C6 118(3) . .
O2 C1 O1 121(2) . .
O2 C1 C2 121(2) . .
O1 C1 C2 118(2) . .
O2 C1 Eu1 40.5(12) . .
O1 C1 Eu1 81.0(14) . .
C2 C1 Eu1 160.2(18) . .
C42 C47 C46 123(2) . .
C20 C21 C22 122(2) . .
C20 C21 C24 121.7(19) . .
C22 C21 C24 116.7(19) . .
C33 N9 C42 126(2) . .
C47 C42 N9 126(2) . .
C47 C42 C43 116(2) . .
N9 C42 C43 118(2) . .
C34 N12 C33 114.9(19) . .
C37 C36 C35 118(2) . .
C30 C31 C26 117(2) . .
C5 N1 C8 135(2) . .
C38 C39 C40 119(2) . .
C23 C18 C19 119(2) . .
C23 C18 N3 122(2) . .
C19 C18 N3 118(2) . .
N12 C34 N11 126(2) . .
N12 C34 N8 122.7(18) . .
N11 C34 N8 111.6(18) . .
C45 C46 C47 118(2) . .
C5 C6 C7 121(2) . .
C18 C23 C22 119(2) . .
N4 C8 N6 125(2) . .
N4 C8 N1 117.8(19) . .
N6 C8 N1 117(2) . .
C5 C4 C3 123(2) . .
C35 C40 C39 120(2) . .
N1 C5 C4 118(2) . .
N1 C5 C6 124(2) . .
C4 C5 C6 117(2) . .
N12 C33 N10 127(2) . .
N12 C33 N9 119(2) . .
N10 C33 N9 114(2) . .
C41 O11 Eu1 141.8(14) . 1_464
C1 O1 Eu2 151.8(17) . 3_767
C44 C43 C42 122(2) . .
C16 C11 C12 120(2) . .
C16 C11 N2 123(2) . .
C12 C11 N2 117(2) . .
C11 C16 C15 121(2) . .
C11 C12 C13 121(2) . .
C16 C15 C14 120(2) . .
C12 C13 C14 118(2) . .
C15 C14 C13 120(2) . .
C15 C14 C17 123(2) . .
C13 C14 C17 117(2) . .
C48 O9 Eu1 97.3(13) . 4_474
C17 O3 Eu1 144.0(12) . 4_565
C17 O3 Eu2 88.9(11) . 2_746
Eu1 O3 Eu2 101.4(4) 4_565 2_746
C17 O4 Eu2 97.8(11) . 2_746
O4 C17 O3 119.6(17) . .
O4 C17 C14 120.7(18) . .
O3 C17 C14 119.8(18) . .
O4 C17 Eu2 56.3(10) . 2_746
O3 C17 Eu2 64.9(9) . 2_746
C14 C17 Eu2 167.5(14) . 2_746
C48 O10 Eu2 137.4(13) . 3_676
C48 O10 Eu1 90.0(11) . 4_474
Eu2 O10 Eu1 104.5(4) 3_676 4_474
C41 O12 Eu2 133.4(15) . 2_656
C25 O0AA Eu1 149.9(13) . 3_767
C25 O0AA Eu2 93.1(11) . .
Eu1 O0AA Eu2 101.3(5) 3_767 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O11 2.310(14) 1_646
Eu1 O2 2.328(16) .
Eu1 O9 2.405(15) 4_677
Eu1 O3 2.421(13) 4_566
Eu1 O5 2.427(14) 2_747
Eu1 O0AA 2.473(15) 3_767
Eu1 O10 2.591(11) 4_677
Eu1 O6 2.621(13) 2_747
Eu1 C24 2.85(2) 2_747
Eu1 C48 2.88(2) 4_677
Eu1 C1 3.11(2) .
Eu1 Eu2 3.8821(12) 3_767
Eu2 O1 2.273(19) 3_767
Eu2 O12 2.306(15) 2_646
Eu2 O6 2.370(13) .
Eu2 O8 2.404(14) .
Eu2 O4 2.405(14) 2_756
Eu2 O10 2.418(13) 3_676
Eu2 O0AA 2.548(15) .
Eu2 O3 2.595(13) 2_756
Eu2 C17 2.865(18) 2_756
Eu2 C25 2.895(17) .
Eu2 Eu1 3.8822(12) 3_767
Eu2 Eu1 3.9627(11) 2_757
O6 C24 1.28(2) .
O6 Eu1 2.621(13) 2_757
O8 C25 1.24(2) .
N4 C8 1.32(3) .
N4 C10 1.35(3) .
N5 C10 1.33(3) .
N5 C9 1.35(3) .
C24 O5 1.19(2) .
C24 C21 1.54(3) .
C24 Eu1 2.85(2) 2_757
C26 C27 1.35(3) .
C26 C31 1.41(3) .
C26 C25 1.50(3) .
C25 O0AA 1.24(2) .
C22 C23 1.39(3) .
C22 C21 1.41(3) .
C28 C27 1.33(3) .
C28 C29 1.40(3) .
C38 C37 1.36(3) .
C38 C39 1.37(3) .
C38 C41 1.50(3) .
N7 C32 1.34(3) .
N7 C29 1.43(2) .
N2 C10 1.41(3) .
N2 C11 1.43(3) .
C19 C20 1.39(3) .
C19 C18 1.41(3) .
C2 C7 1.34(3) .
C2 C3 1.38(3) .
C2 C1 1.52(3) .
C29 C30 1.45(3) .
O5 Eu1 2.427(14) 2_757
N3 C9 1.33(3) .
N3 C18 1.44(3) .
N8 C34 1.39(3) .
N8 C35 1.40(2) .
C20 C21 1.36(3) .
N6 C9 1.30(3) .
N6 C8 1.34(3) .
C30 C31 1.37(3) .
N11 C32 1.32(3) .
N11 C34 1.36(3) .
C3 C4 1.39(3) .
O2 C1 1.20(3) .
N10 C33 1.34(3) .
N10 C32 1.36(3) .
C44 C45 1.38(3) .
C44 C43 1.38(3) .
C48 O10 1.25(3) .
C48 O9 1.31(2) .
C48 C45 1.51(3) .
C48 Eu1 2.88(2) 4_474
C45 C46 1.35(3) .
C35 C40 1.37(3) .
C35 C36 1.42(3) .
C41 O11 1.23(2) .
C41 O12 1.27(2) .
C37 C36 1.38(3) .
C7 C6 1.42(3) .
C1 O1 1.29(3) .
C47 C42 1.33(4) .
C47 C46 1.40(3) .
N9 C33 1.38(3) .
N9 C42 1.39(3) .
C42 C43 1.40(3) .
N12 C34 1.30(3) .
N12 C33 1.32(3) .
N1 C5 1.35(3) .
N1 C8 1.36(3) .
C39 C40 1.42(3) .
C18 C23 1.39(3) .
C6 C5 1.40(3) .
C4 C5 1.36(4) .
O11 Eu1 2.310(14) 1_464
O1 Eu2 2.273(19) 3_767
C11 C16 1.35(3) .
C11 C12 1.37(3) .
C16 C15 1.37(3) .
C12 C13 1.40(3) .
C15 C14 1.38(3) .
C13 C14 1.40(3) .
C14 C17 1.49(3) .
O9 Eu1 2.405(15) 4_474
O3 C17 1.27(2) .
O3 Eu1 2.421(13) 4_565
O3 Eu2 2.595(13) 2_746
O4 C17 1.26(2) .
O4 Eu2 2.405(14) 2_746
C17 Eu2 2.865(18) 2_746
O10 Eu2 2.418(13) 3_676
O10 Eu1 2.591(11) 4_474
O12 Eu2 2.306(15) 2_656
O0AA Eu1 2.473(15) 3_767
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 -0.001 0.001 -0.015 5594 1824 ' '
