#------------------------------------------------------------------------------
#$Date: 2019-11-28 22:08:31 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244765 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/95/7239550.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_7239550
loop_
_publ_author_name
'Hao, Zhaomin'
'Yang, Guocheng'
'Song, Xuezhi'
'Zhu, Min'
'Meng, Xing'
'Zhao, Shuna'
'Song, Shuyan'
'Zhang, Hongjie'
_publ_section_title
;
 A europium(iii) based metal--organic framework: bifunctional properties
 related to sensing and electronic conductivity
;
_journal_issue                   1
_journal_name_full               'J. Mater. Chem. A'
_journal_page_first              237
_journal_paper_doi               10.1039/C3TA13179C
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C66 H34 Eu4 N2 O34'
_chemical_formula_weight         2006.83
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.315(5)
_cell_angle_beta                 98.301(5)
_cell_angle_gamma                94.349(5)
_cell_formula_units_Z            2
_cell_length_a                   12.949(5)
_cell_length_b                   13.869(5)
_cell_length_c                   27.972(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4784(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            26553
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    2.656
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936
_platon_squeeze_details
;
;
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       0.00003(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     967
_refine_ls_number_reflns         18576
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0357P)²+1.6539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0744
_reflns_number_gt                16163
_reflns_number_total             18576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ta13179c.txt
_cod_data_source_block           hao
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7239550
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.619550(13) 0.074700(12) 0.553953(6) 0.01822(5) Uani 1 1 d .
Eu2 Eu 0.015886(14) 0.104823(12) 0.086367(6) 0.01897(5) Uani 1 1 d .
Eu3 Eu 0.531385(13) -0.435862(12) -0.060788(6) 0.01766(5) Uani 1 1 d .
Eu4 Eu 1.028818(14) 0.454336(13) 0.415259(6) 0.02023(5) Uani 1 1 d .
O26 O 1.0719(3) 0.3197(3) 0.35402(13) 0.0529(9) Uani 1 1 d .
C35 C 0.5710(3) 0.1007(3) 0.43529(13) 0.0224(8) Uani 1 1 d .
C1 C 0.3493(3) -0.6326(3) -0.06363(13) 0.0238(8) Uani 1 1 d .
O8 O 0.0982(2) -0.02633(19) 0.04556(10) 0.0340(6) Uani 1 1 d .
O19 O 0.4817(2) 0.0507(2) 0.42273(10) 0.0316(6) Uani 1 1 d .
C63 C 0.1319(3) -0.1008(3) 0.02108(14) 0.0215(7) Uani 1 1 d .
C11 C 0.2000(3) -0.1597(2) 0.04819(13) 0.0208(7) Uani 1 1 d .
O10 O -0.1125(2) -0.04811(19) 0.06672(9) 0.0283(6) Uani 1 1 d .
O30 O 1.0539(3) 0.7189(2) 0.40336(12) 0.0613(11) Uani 1 1 d .
O1 O 0.3760(2) -0.64881(19) -0.02162(9) 0.0302(6) Uani 1 1 d .
O20 O 0.6311(2) 0.1112(2) 0.47552(9) 0.0320(6) Uani 1 1 d .
C17 C 0.3997(3) -0.1735(3) 0.25822(15) 0.0377(10) Uani 1 1 d .
H17 H 0.4633 -0.1836 0.2754 0.045 Uiso 1 1 calc R
C31 C 0.7341(3) 0.2579(3) 0.37465(14) 0.0263(8) Uani 1 1 d .
C28 C 0.5662(3) 0.1998(3) 0.31981(14) 0.0322(9) Uani 1 1 d .
C25 C 0.4897(3) 0.2009(3) 0.27527(15) 0.0354(10) Uani 1 1 d .
O11 O 0.1159(2) 0.1685(2) 0.02955(10) 0.0351(7) Uani 1 1 d .
C39 C 0.9015(4) 0.6261(3) 0.23027(15) 0.0399(11) Uani 1 1 d .
H39 H 0.8768 0.5749 0.2015 0.048 Uiso 1 1 calc R
C5 C 0.0992(3) -0.8285(3) -0.16715(14) 0.0296(9) Uani 1 1 d .
H5 H 0.0450 -0.8716 -0.1895 0.036 Uiso 1 1 calc R
O28 O 1.1090(2) 0.6170(2) 0.47258(10) 0.0396(7) Uani 1 1 d .
O18 O 0.90507(19) 0.31624(19) 0.42347(9) 0.0272(6) Uani 1 1 d .
O9 O -0.0051(2) -0.0110(2) 0.13915(10) 0.0380(7) Uani 1 1 d .
O31 O 0.8982(2) 0.5237(2) 0.45727(12) 0.0406(7) Uani 1 1 d .
C6 C 0.1444(3) -0.7467(3) -0.18048(14) 0.0301(9) Uani 1 1 d .
O15 O 0.1742(2) 0.1496(2) 0.14169(11) 0.0397(7) Uani 1 1 d .
O14 O 0.0351(2) 0.2881(2) 0.11150(12) 0.0431(7) Uani 1 1 d .
O4 O 0.5471(2) -0.5340(3) -0.14513(10) 0.0472(8) Uani 1 1 d .
O33 O 0.7026(2) 0.92526(19) 0.52585(10) 0.0331(6) Uani 1 1 d .
C50 C 0.6430(3) 0.8766(3) 0.48704(13) 0.0231(8) Uani 1 1 d .
C29 C 0.5385(3) 0.1473(3) 0.35398(14) 0.0312(9) Uani 1 1 d .
H29 H 0.4735 0.1088 0.3471 0.037 Uiso 1 1 calc R
O23 O 0.7213(3) 0.0698(3) 0.63572(11) 0.0543(9) Uani 1 1 d .
O24 O 0.5863(2) 0.1550(2) 0.63870(10) 0.0400(7) Uani 1 1 d .
O7 O 0.3918(2) -0.3530(2) -0.02589(10) 0.0334(6) Uani 1 1 d .
C48 C 0.6759(3) 0.7818(3) 0.45724(13) 0.0219(7) Uani 1 1 d .
O2 O 0.3896(2) -0.56215(19) -0.07825(10) 0.0338(7) Uani 1 1 d .
O25 O 0.4438(2) 0.09508(19) 0.52767(10) 0.0290(6) Uani 1 1 d .
C56 C 0.5041(4) 0.5964(4) 0.25034(17) 0.0516(13) Uani 1 1 d .
H56 H 0.4410 0.6123 0.2354 0.062 Uiso 1 1 calc R
C22 C 0.3326(3) 0.2147(3) 0.19731(14) 0.0329(9) Uani 1 1 d .
O6 O 0.5577(3) -0.2614(2) -0.06238(12) 0.0472(8) Uani 1 1 d .
O32 O 0.8736(2) 0.6194(2) 0.52893(10) 0.0359(7) Uani 1 1 d .
O17 O 0.8603(2) 0.3758(2) 0.35833(10) 0.0339(7) Uani 1 1 d .
C33 C 0.6651(3) 0.2558(3) 0.33167(14) 0.0312(9) Uani 1 1 d .
H33 H 0.6850 0.2925 0.3101 0.037 Uiso 1 1 calc R
O29 O 1.0092(2) 0.5592(2) 0.36359(10) 0.0392(7) Uani 1 1 d .
C9 C 0.3139(3) -0.2892(3) 0.04474(13) 0.0223(7) Uani 1 1 d .
O21 O 0.6428(3) 0.2561(2) 0.56865(12) 0.0543(9) Uani 1 1 d .
C41 C 0.9363(4) 0.7985(3) 0.27159(16) 0.0455(12) Uani 1 1 d .
H41 H 0.9346 0.8653 0.2713 0.055 Uiso 1 1 calc R
C44 C 0.7841(3) 0.6478(3) 0.45586(13) 0.0206(7) Uani 1 1 d .
C24 C 0.4182(3) 0.1198(3) 0.24989(16) 0.0383(10) Uani 1 1 d .
H24 H 0.4214 0.0597 0.2588 0.046 Uiso 1 1 calc R
O34 O 0.5672(3) 0.4268(2) 0.14168(9) 0.0398(7) Uani 1 1 d .
C21 C 0.2438(3) 0.2255(3) 0.15945(14) 0.0325(9) Uani 1 1 d .
O27 O 1.2155(2) 0.4909(2) 0.40682(12) 0.0419(7) Uani 1 1 d .
O3 O 0.5998(2) -0.56478(19) -0.03259(10) 0.0339(6) Uani 1 1 d .
O12 O -0.1137(2) 0.1315(2) 0.02565(10) 0.0346(6) Uani 1 1 d .
C36 C 1.0174(3) 0.6506(3) 0.36476(15) 0.0356(10) Uani 1 1 d .
C43 C 0.8574(3) 0.5940(3) 0.48235(14) 0.0238(8) Uani 1 1 d .
C38 C 0.9409(4) 0.6020(3) 0.27369(15) 0.0388(10) Uani 1 1 d .
H38 H 0.9426 0.5352 0.2740 0.047 Uiso 1 1 calc R
C30 C 0.6065(3) 0.1519(3) 0.39781(13) 0.0262(8) Uani 1 1 d .
N1 N 0.6086(4) -0.0956(3) -0.0261(2) 0.0708(14) Uani 1 1 d .
C57 C 0.5375(4) 0.6348(4) 0.30174(16) 0.0491(13) Uani 1 1 d .
H57 H 0.4961 0.6755 0.3206 0.059 Uiso 1 1 calc R
C60 C 0.5780(5) -0.1877(4) -0.0250(3) 0.0759(19) Uani 1 1 d .
O16 O 0.2398(2) 0.3060(2) 0.14755(11) 0.0424(7) Uani 1 1 d .
C15 C 0.2895(3) -0.1792(3) 0.18029(14) 0.0294(9) Uani 1 1 d .
C12 C 0.2134(3) -0.1423(3) 0.09969(13) 0.0254(8) Uani 1 1 d .
H12 H 0.1806 -0.0918 0.1181 0.031 Uiso 1 1 calc R
C4 C 0.1333(3) -0.8468(3) -0.12138(13) 0.0242(8) Uani 1 1 d .
C46 C 0.6707(3) 0.6551(3) 0.37970(13) 0.0264(8) Uani 1 1 d .
O5 O 0.7137(2) -0.4051(3) -0.07441(12) 0.0467(8) Uani 1 1 d .
C8 C 0.3726(3) -0.3658(3) 0.01507(14) 0.0251(8) Uani 1 1 d .
C27 C 0.4060(4) 0.2961(4) 0.22181(17) 0.0475(12) Uani 1 1 d .
H27 H 0.4037 0.3555 0.2121 0.057 Uiso 1 1 calc R
C18 C 0.3212(3) -0.1395(3) 0.28423(13) 0.0287(9) Uani 1 1 d .
C40 C 0.8978(3) 0.7242(3) 0.22828(14) 0.0307(9) Uani 1 1 d .
C26 C 0.4827(4) 0.2902(4) 0.26056(17) 0.0480(13) Uani 1 1 d .
H26 H 0.5304 0.3463 0.2771 0.058 Uiso 1 1 calc R
C54 C 0.5621(3) 0.5360(3) 0.22162(14) 0.0296(9) Uani 1 1 d .
C23 C 0.3412(3) 0.1263(3) 0.21121(15) 0.0377(10) Uani 1 1 d .
H23 H 0.2944 0.0700 0.1942 0.045 Uiso 1 1 calc R
C13 C 0.2744(3) -0.1986(3) 0.12443(13) 0.0251(8) Uani 1 1 d .
C47 C 0.6354(3) 0.7410(3) 0.40687(13) 0.0251(8) Uani 1 1 d .
H47 H 0.5841 0.7714 0.3911 0.030 Uiso 1 1 calc R
O13 O -0.1275(3) 0.1559(3) 0.13226(14) 0.0683(11) Uani 1 1 d .
C14 C 0.3229(3) -0.2747(3) 0.09646(13) 0.0255(8) Uani 1 1 d .
H14 H 0.3610 -0.3157 0.1123 0.031 Uiso 1 1 calc R
C16 C 0.3842(3) -0.1924(3) 0.20715(15) 0.0394(10) Uani 1 1 d .
H16 H 0.4380 -0.2145 0.1900 0.047 Uiso 1 1 calc R
C42 C 0.9771(4) 0.7755(3) 0.31535(16) 0.0487(13) Uani 1 1 d .
H42 H 1.0040 0.8270 0.3438 0.058 Uiso 1 1 calc R
C32 C 0.7039(3) 0.2072(3) 0.40814(13) 0.0267(8) Uani 1 1 d .
H32 H 0.7493 0.2104 0.4376 0.032 Uiso 1 1 calc R
C3 C 0.2142(3) -0.7836(3) -0.08755(14) 0.0269(8) Uani 1 1 d .
H3 H 0.2361 -0.7955 -0.0566 0.032 Uiso 1 1 calc R
C49 C 0.7502(3) 0.7349(3) 0.48144(13) 0.0226(8) Uani 1 1 d .
H49 H 0.7773 0.7625 0.5152 0.027 Uiso 1 1 calc R
C2 C 0.2624(3) -0.7023(3) -0.10025(13) 0.0244(8) Uani 1 1 d .
C34 C 0.8394(3) 0.3198(3) 0.38589(14) 0.0277(8) Uani 1 1 d .
C51 C 0.6315(3) 0.6133(3) 0.32503(14) 0.0309(9) Uani 1 1 d .
O22 O 0.8111(3) 0.1160(3) 0.55657(15) 0.0654(11) Uani 1 1 d .
C10 C 0.2520(3) -0.2319(3) 0.02084(13) 0.0228(8) Uani 1 1 d .
H10 H 0.2455 -0.2420 -0.0136 0.027 Uiso 1 1 calc R
C37 C 0.9784(3) 0.6780(3) 0.31733(14) 0.0323(9) Uani 1 1 d .
C53 C 0.6513(4) 0.5081(3) 0.24461(15) 0.0425(11) Uani 1 1 d .
H53 H 0.6888 0.4626 0.2259 0.051 Uiso 1 1 calc R
C7 C 0.2276(3) -0.6849(3) -0.14624(14) 0.0285(9) Uani 1 1 d .
H7 H 0.2603 -0.6308 -0.1547 0.034 Uiso 1 1 calc R
C52 C 0.6865(4) 0.5472(4) 0.29572(15) 0.0444(12) Uani 1 1 d .
H52 H 0.7482 0.5285 0.3105 0.053 Uiso 1 1 calc R
C55 C 0.5259(3) 0.4963(3) 0.16626(14) 0.0275(8) Uani 1 1 d .
C20 C 0.2116(3) -0.1449(4) 0.20686(15) 0.0419(11) Uani 1 1 d .
H20 H 0.1477 -0.1352 0.1898 0.050 Uiso 1 1 calc R
C45 C 0.7457(3) 0.6099(3) 0.40480(13) 0.0259(8) Uani 1 1 d .
H45 H 0.7707 0.5531 0.3871 0.031 Uiso 1 1 calc R
C62 C -0.0805(3) -0.0659(3) 0.10850(14) 0.0279(8) Uani 1 1 d .
C19 C 0.2277(3) -0.1247(4) 0.25851(14) 0.0404(11) Uani 1 1 d .
H19 H 0.1748 -0.1009 0.2759 0.048 Uiso 1 1 calc R
C61 C 0.6603(3) 0.1199(3) 0.65966(14) 0.0322(9) Uani 1 1 d .
C58 C 0.6398(6) -0.0139(5) 0.0184(3) 0.096(2) Uani 1 1 d .
H58A H 0.6122 -0.0305 0.0458 0.144 Uiso 1 1 calc R
H58B H 0.6128 0.0456 0.0126 0.144 Uiso 1 1 calc R
H58C H 0.7151 -0.0024 0.0263 0.144 Uiso 1 1 calc R
C59 C 0.6166(8) -0.0781(6) -0.0760(3) 0.121(3) Uani 1 1 d .
H59A H 0.6875 -0.0823 -0.0820 0.182 Uiso 1 1 calc R
H59B H 0.5975 -0.0128 -0.0765 0.182 Uiso 1 1 calc R
H59C H 0.5699 -0.1280 -0.1016 0.182 Uiso 1 1 calc R
C66 C 1.1234(13) 0.2608(11) 0.3576(5) 0.089(5) Uani 0.50 1 d P
C66' C 1.0540(8) 0.2492(7) 0.3169(4) 0.043(2) Uani 0.50 1 d P
N2 N 1.1192(6) 0.1791(4) 0.3061(4) 0.148(4) Uani 1 1 d .
C67 C 1.0748(9) 0.1042(8) 0.2582(4) 0.161(5) Uani 1 1 d .
C68 C 1.2127(11) 0.1525(14) 0.3344(5) 0.251(9) Uani 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'
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'
Eu Eu -0.1578 3.6682 '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
O25 Eu1 O19 74.87(9) . 2_656
O25 Eu1 O20 79.34(9) . .
O19 Eu1 O20 133.26(9) 2_656 .
O25 Eu1 O33 125.54(9) . 1_545
O19 Eu1 O33 76.25(10) 2_656 1_545
O20 Eu1 O33 88.51(10) . 1_545
O25 Eu1 O21 82.51(11) . .
O19 Eu1 O21 139.48(11) 2_656 .
O20 Eu1 O21 72.26(10) . .
O33 Eu1 O21 143.01(11) 1_545 .
O25 Eu1 O24 84.82(9) . .
O19 Eu1 O24 74.60(10) 2_656 .
O20 Eu1 O24 140.75(10) . .
O33 Eu1 O24 129.22(9) 1_545 .
O21 Eu1 O24 70.21(10) . .
O25 Eu1 O23 133.45(9) . .
O19 Eu1 O23 76.76(11) 2_656 .
O20 Eu1 O23 144.73(10) . .
O33 Eu1 O23 81.15(10) 1_545 .
O21 Eu1 O23 96.42(12) . .
O24 Eu1 O23 52.22(10) . .
O25 Eu1 O22 150.81(12) . .
O19 Eu1 O22 133.93(12) 2_656 .
O20 Eu1 O22 75.57(12) . .
O33 Eu1 O22 68.73(11) 1_545 .
O21 Eu1 O22 75.87(13) . .
O24 Eu1 O22 105.54(12) . .
O23 Eu1 O22 69.24(13) . .
O25 Eu1 O25 77.93(9) . 2_656
O19 Eu1 O25 69.13(9) 2_656 2_656
O20 Eu1 O25 67.76(8) . 2_656
O33 Eu1 O25 48.76(8) 1_545 2_656
O21 Eu1 O25 137.93(9) . 2_656
O24 Eu1 O25 142.74(9) . 2_656
O23 Eu1 O25 123.92(10) . 2_656
O22 Eu1 O25 105.54(10) . 2_656
O25 Eu1 C61 109.03(11) . .
O19 Eu1 C61 73.04(10) 2_656 .
O20 Eu1 C61 153.31(10) . .
O33 Eu1 C61 105.15(11) 1_545 .
O21 Eu1 C61 83.54(11) . .
O24 Eu1 C61 26.06(11) . .
O23 Eu1 C61 26.20(11) . .
O22 Eu1 C61 87.97(13) . .
O25 Eu1 C61 138.08(10) 2_656 .
O25 Eu1 C50 102.57(10) . 1_545
O19 Eu1 C50 72.05(10) 2_656 1_545
O20 Eu1 C50 76.53(10) . 1_545
O33 Eu1 C50 23.82(9) 1_545 1_545
O21 Eu1 C50 146.85(10) . 1_545
O24 Eu1 C50 142.38(10) . 1_545
O23 Eu1 C50 102.77(11) . 1_545
O22 Eu1 C50 85.93(11) . 1_545
O25 Eu1 C50 24.98(8) 2_656 1_545
C61 Eu1 C50 123.79(11) . 1_545
O25 Eu1 Eu1 43.15(6) . 2_656
O19 Eu1 Eu1 66.33(6) 2_656 2_656
O20 Eu1 Eu1 68.12(6) . 2_656
O33 Eu1 Eu1 82.99(7) 1_545 2_656
O21 Eu1 Eu1 116.31(9) . 2_656
O24 Eu1 Eu1 120.27(8) . 2_656
O23 Eu1 Eu1 142.32(9) . 2_656
O22 Eu1 Eu1 134.15(9) . 2_656
O25 Eu1 Eu1 34.77(5) 2_656 2_656
C61 Eu1 Eu1 135.28(8) . 2_656
C50 Eu1 Eu1 59.53(7) 1_545 2_656
O8 Eu2 O15 84.75(11) . .
O8 Eu2 O12 105.69(10) . .
O15 Eu2 O12 153.03(10) . .
O8 Eu2 O14 140.38(10) . .
O15 Eu2 O14 75.48(10) . .
O12 Eu2 O14 81.12(10) . .
O8 Eu2 O13 147.00(11) . .
O15 Eu2 O13 108.77(13) . .
O12 Eu2 O13 76.06(12) . .
O14 Eu2 O13 72.58(11) . .
O8 Eu2 O9 80.12(10) . .
O15 Eu2 O9 79.89(9) . .
O12 Eu2 O9 125.91(10) . .
O14 Eu2 O9 127.96(10) . .
O13 Eu2 O9 73.21(12) . .
O8 Eu2 O11 72.83(10) . .
O15 Eu2 O11 83.65(10) . .
O12 Eu2 O11 76.16(10) . .
O14 Eu2 O11 71.14(10) . .
O13 Eu2 O11 136.95(11) . .
O9 Eu2 O11 149.43(10) . .
O8 Eu2 O10 73.66(10) . .
O15 Eu2 O10 130.29(9) . .
O12 Eu2 O10 76.67(9) . .
O14 Eu2 O10 144.05(10) . .
O13 Eu2 O10 74.84(11) . .
O9 Eu2 O10 52.94(8) . .
O11 Eu2 O10 128.50(9) . .
O8 Eu2 C62 75.91(11) . .
O15 Eu2 C62 105.28(10) . .
O12 Eu2 C62 101.40(11) . .
O14 Eu2 C62 142.16(11) . .
O13 Eu2 C62 71.54(12) . .
O9 Eu2 C62 26.33(10) . .
O11 Eu2 C62 146.51(10) . .
O10 Eu2 C62 26.62(9) . .
O3 Eu3 O2 75.19(10) . .
O3 Eu3 O1 77.28(9) . 2_645
O2 Eu3 O1 124.87(9) . 2_645
O3 Eu3 O7 121.60(9) . .
O2 Eu3 O7 75.23(10) . .
O1 Eu3 O7 80.22(10) 2_645 .
O3 Eu3 O6 146.83(11) . .
O2 Eu3 O6 137.06(11) . .
O1 Eu3 O6 75.88(10) 2_645 .
O7 Eu3 O6 72.19(10) . .
O3 Eu3 O4 86.22(10) . .
O2 Eu3 O4 77.97(11) . .
O1 Eu3 O4 145.68(10) 2_645 .
O7 Eu3 O4 133.55(10) . .
O6 Eu3 O4 105.61(11) . .
O3 Eu3 O5 81.45(11) . .
O2 Eu3 O5 142.12(11) . .
O1 Eu3 O5 76.83(10) 2_645 .
O7 Eu3 O5 142.58(10) . .
O6 Eu3 O5 73.77(11) . .
O4 Eu3 O5 71.04(11) . .
O3 Eu3 O34 133.28(9) . 2_655
O2 Eu3 O34 75.78(10) . 2_655
O1 Eu3 O34 149.14(9) 2_645 2_655
O7 Eu3 O34 84.48(10) . 2_655
O6 Eu3 O34 73.96(10) . 2_655
O4 Eu3 O34 52.28(10) . 2_655
O5 Eu3 O34 100.67(11) . 2_655
O3 Eu3 C55 109.75(10) . 2_655
O2 Eu3 C55 73.90(10) . 2_655
O1 Eu3 C55 161.19(10) 2_645 2_655
O7 Eu3 C55 108.62(10) . 2_655
O6 Eu3 C55 90.78(11) . 2_655
O4 Eu3 C55 26.36(10) . 2_655
O5 Eu3 C55 86.82(11) . 2_655
O34 Eu3 C55 25.99(10) 2_655 2_655
O3 Eu3 C8 101.85(10) . .
O2 Eu3 C8 71.71(10) . .
O1 Eu3 C8 68.57(10) 2_645 .
O7 Eu3 C8 20.37(9) . .
O6 Eu3 C8 86.09(10) . .
O4 Eu3 C8 145.18(10) . .
O5 Eu3 C8 143.32(10) . .
O34 Eu3 C8 102.77(10) 2_655 .
C55 Eu3 C8 124.52(10) 2_655 .
O3 Eu3 Eu3 48.55(7) . 2_645
O2 Eu3 Eu3 62.66(7) . 2_645
O1 Eu3 Eu3 63.21(6) 2_645 2_645
O7 Eu3 Eu3 73.18(7) . 2_645
O6 Eu3 Eu3 129.74(8) . 2_645
O4 Eu3 Eu3 124.65(8) . 2_645
O5 Eu3 Eu3 119.92(7) . 2_645
O34 Eu3 Eu3 136.39(8) 2_655 2_645
C55 Eu3 Eu3 134.70(8) 2_655 2_645
C8 Eu3 Eu3 53.31(7) . 2_645
O29 Eu4 O31 90.59(11) . .
O29 Eu4 O32 153.96(11) . 2_766
O31 Eu4 O32 105.04(10) . 2_766
O29 Eu4 O26 95.05(12) . .
O31 Eu4 O26 146.57(12) . .
O32 Eu4 O26 83.38(12) 2_766 .
O29 Eu4 O28 78.48(10) . .
O31 Eu4 O28 72.96(11) . .
O32 Eu4 O28 86.23(10) 2_766 .
O26 Eu4 O28 140.44(11) . .
O29 Eu4 O18 130.11(9) . .
O31 Eu4 O18 71.42(10) . .
O32 Eu4 O18 75.36(9) 2_766 .
O26 Eu4 O18 79.93(11) . .
O28 Eu4 O18 133.55(9) . .
O29 Eu4 O27 80.21(11) . .
O31 Eu4 O27 141.67(11) . .
O32 Eu4 O27 74.61(10) 2_766 .
O26 Eu4 O27 71.68(11) . .
O28 Eu4 O27 68.76(10) . .
O18 Eu4 O27 140.51(9) . .
O29 Eu4 O17 78.33(9) . .
O31 Eu4 O17 75.40(11) . .
O32 Eu4 O17 125.33(9) 2_766 .
O26 Eu4 O17 73.56(11) . .
O28 Eu4 O17 140.21(10) . .
O18 Eu4 O17 52.46(8) . .
O27 Eu4 O17 136.94(10) . .
O29 Eu4 C34 103.99(11) . .
O31 Eu4 C34 69.92(11) . .
O32 Eu4 C34 100.94(11) 2_766 .
O26 Eu4 C34 76.75(12) . .
O28 Eu4 C34 142.80(10) . .
O18 Eu4 C34 26.31(9) . .
O27 Eu4 C34 148.41(10) . .
O17 Eu4 C34 26.23(9) . .
O29 Eu4 C66 107.9(3) . .
O31 Eu4 C66 149.5(3) . .
O32 Eu4 C66 68.3(3) 2_766 .
O26 Eu4 C66 15.2(3) . .
O28 Eu4 C66 133.5(3) . .
O18 Eu4 C66 78.1(3) . .
O27 Eu4 C66 67.3(3) . .
O17 Eu4 C66 84.6(3) . .
C34 Eu4 C66 81.9(3) . .
C66 O26 C66' 68.6(9) . .
C66 O26 Eu4 130.9(8) . .
C66' O26 Eu4 155.4(6) . .
O20 C35 O19 125.6(3) . .
O20 C35 C30 118.1(3) . .
O19 C35 C30 116.3(3) . .
O2 C1 O1 125.3(3) . .
O2 C1 C2 116.1(3) . .
O1 C1 C2 118.6(3) . .
C63 O8 Eu2 173.4(3) . .
C35 O19 Eu1 139.6(2) . 2_656
O8 C63 O12 124.7(3) . 2
O8 C63 C11 119.1(3) . .
O12 C63 C11 116.2(3) 2 .
C12 C11 C10 119.6(3) . .
C12 C11 C63 121.6(3) . .
C10 C11 C63 118.8(3) . .
C62 O10 Eu2 92.2(2) . .
C1 O1 Eu3 140.2(2) . 2_645
C35 O20 Eu1 136.4(2) . .
C16 C17 C18 120.1(4) . .
C32 C31 C33 119.9(3) . .
C32 C31 C34 120.5(3) . .
C33 C31 C34 119.6(3) . .
C33 C28 C29 117.2(3) . .
C33 C28 C25 122.1(3) . .
C29 C28 C25 120.6(3) . .
C24 C25 C26 117.8(4) . .
C24 C25 C28 122.4(4) . .
C26 C25 C28 119.5(4) . .
C38 C39 C40 121.8(4) . .
C4 C5 C6 121.3(3) . .
C34 O18 Eu4 93.5(2) . .
C62 O9 Eu2 93.7(2) . .
C43 O31 Eu4 154.3(3) . .
C5 C6 C7 117.5(3) . .
C5 C6 C40 120.6(3) . 2_655
C7 C6 C40 121.8(3) . 2_655
C21 O15 Eu2 138.8(3) . .
C55 O4 Eu3 93.4(2) 2_655 .
C50 O33 Eu1 104.4(2) . 1_565
O33 C50 O25 121.8(3) . 2_666
O33 C50 C48 118.5(3) . .
O25 C50 C48 119.7(3) 2_666 .
O33 C50 Eu1 51.75(18) . 1_565
O25 C50 Eu1 70.2(2) 2_666 1_565
C48 C50 Eu1 169.5(2) . 1_565
C30 C29 C28 121.1(3) . .
C61 O23 Eu1 92.3(2) . .
C61 O24 Eu1 93.2(2) . .
C8 O7 Eu3 117.8(2) . .
C47 C48 C49 119.8(3) . .
C47 C48 C50 122.2(3) . .
C49 C48 C50 118.0(3) . .
C1 O2 Eu3 144.4(2) . .
C50 O25 Eu1 168.2(2) 2_666 .
C50 O25 Eu1 84.8(2) 2_666 2_656
Eu1 O25 Eu1 102.07(9) . 2_656
C54 C56 C57 121.2(4) . .
C27 C22 C23 118.0(4) . .
C27 C22 C21 120.1(4) . .
C23 C22 C21 121.8(4) . .
C60 O6 Eu3 125.8(4) . .
C43 O32 Eu4 128.8(2) . 2_766
C34 O17 Eu4 92.5(2) . .
C31 C33 C28 121.6(3) . .
C36 O29 Eu4 141.3(3) . .
C10 C9 C14 120.0(3) . .
C10 C9 C8 120.0(3) . .
C14 C9 C8 120.0(3) . .
C42 C41 C40 121.2(4) . .
C49 C44 C45 118.8(3) . .
C49 C44 C43 120.7(3) . .
C45 C44 C43 120.5(3) . .
C25 C24 C23 121.0(4) . .
C55 O34 Eu3 93.5(2) . 2_655
O16 C21 O15 123.9(4) . .
O16 C21 C22 119.7(4) . .
O15 C21 C22 116.3(4) . .
C8 O3 Eu3 173.4(3) 2_645 .
C63 O12 Eu2 132.7(2) 2 .
O30 C36 O29 123.5(4) . .
O30 C36 C37 119.1(4) . .
O29 C36 C37 117.4(3) . .
O32 C43 O31 123.0(4) . .
O32 C43 C44 117.9(3) . .
O31 C43 C44 119.0(3) . .
C39 C38 C37 119.9(4) . .
C32 C30 C29 120.1(3) . .
C32 C30 C35 120.2(3) . .
C29 C30 C35 119.6(3) . .
C60 N1 C58 123.2(6) . .
C60 N1 C59 117.3(6) . .
C58 N1 C59 119.4(6) . .
C51 C57 C56 120.9(4) . .
O6 C60 N1 124.8(7) . .
C20 C15 C16 117.9(4) . .
C20 C15 C13 121.4(3) . .
C16 C15 C13 120.7(3) . .
C11 C12 C13 121.4(3) . .
C5 C4 C3 120.4(3) . .
C5 C4 C62 119.1(3) . 2_545
C3 C4 C62 120.5(3) . 2_545
C47 C46 C45 118.1(3) . .
C47 C46 C51 121.4(3) . .
C45 C46 C51 120.4(3) . .
O3 C8 O7 124.5(3) 2_645 .
O3 C8 C9 118.7(3) 2_645 .
O7 C8 C9 116.8(3) . .
O3 C8 Eu3 84.4(2) 2_645 .
O7 C8 Eu3 41.81(18) . .
C9 C8 Eu3 153.3(2) . .
C22 C27 C26 120.9(4) . .
C19 C18 C17 119.5(3) . .
C19 C18 C61 121.3(4) . 2_656
C17 C18 C61 119.2(4) . 2_656
C39 C40 C41 117.6(4) . .
C39 C40 C6 120.0(3) . 2_655
C41 C40 C6 122.4(4) . 2_655
C27 C26 C25 120.9(4) . .
C56 C54 C53 118.6(4) . .
C56 C54 C55 120.6(4) . .
C53 C54 C55 120.7(4) . .
C22 C23 C24 121.4(4) . .
C12 C13 C14 118.9(3) . .
C12 C13 C15 121.3(3) . .
C14 C13 C15 119.8(3) . .
C48 C47 C46 120.9(3) . .
C13 C14 C9 119.8(3) . .
C17 C16 C15 121.4(4) . .
C37 C42 C41 120.8(4) . .
C30 C32 C31 120.0(3) . .
C4 C3 C2 119.7(3) . .
C44 C49 C48 120.6(3) . .
C7 C2 C3 119.4(3) . .
C7 C2 C1 120.5(3) . .
C3 C2 C1 120.1(3) . .
O17 C34 O18 121.1(3) . .
O17 C34 C31 119.6(3) . .
O18 C34 C31 119.3(3) . .
O17 C34 Eu4 61.22(19) . .
O18 C34 Eu4 60.15(18) . .
C31 C34 Eu4 173.3(3) . .
C52 C51 C57 117.0(4) . .
C52 C51 C46 120.7(4) . .
C57 C51 C46 122.2(4) . .
C11 C10 C9 120.2(3) . .
C42 C37 C38 118.6(4) . .
C42 C37 C36 122.1(4) . .
C38 C37 C36 119.4(4) . .
C54 C53 C52 120.7(4) . .
C2 C7 C6 121.8(3) . .
C51 C52 C53 121.3(4) . .
O34 C55 O4 120.5(3) . 2_655
O34 C55 C54 120.4(3) . .
O4 C55 C54 119.1(3) 2_655 .
O34 C55 Eu3 60.56(19) . 2_655
O4 C55 Eu3 60.2(2) 2_655 2_655
C54 C55 Eu3 174.9(3) . 2_655
C19 C20 C15 120.8(4) . .
C46 C45 C44 121.7(3) . .
O9 C62 O10 121.2(3) . .
O9 C62 C4 119.6(3) . 2_545
O10 C62 C4 119.2(3) . 2_545
O9 C62 Eu2 59.98(19) . .
O10 C62 Eu2 61.23(18) . .
C4 C62 Eu2 177.9(3) 2_545 .
C18 C19 C20 120.4(4) . .
O24 C61 O23 122.2(4) . .
O24 C61 C18 119.4(4) . 2_656
O23 C61 C18 118.5(4) . 2_656
O24 C61 Eu1 60.8(2) . .
O23 C61 Eu1 61.6(2) . .
C18 C61 Eu1 177.3(3) 2_656 .
O26 C66 C66' 59.7(10) . .
O26 C66 N2 112.6(13) . .
C66' C66 N2 54.1(7) . .
O26 C66 C68 156.4(13) . .
C66' C66 C68 100.7(9) . .
N2 C66 C68 46.6(6) . .
O26 C66 Eu4 34.0(5) . .
C66' C66 Eu4 92.3(9) . .
N2 C66 Eu4 146.3(10) . .
C68 C66 Eu4 166.2(9) . .
O26 C66' C66 51.7(7) . .
O26 C66' N2 123.7(10) . .
C66 C66' N2 73.5(9) . .
C66' N2 C68 134.1(11) . .
C66' N2 C67 110.3(10) . .
C68 N2 C67 114.7(8) . .
C66' N2 C66 52.4(7) . .
C68 N2 C66 81.7(10) . .
C67 N2 C66 159.6(9) . .
N2 C68 C66 51.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O25 2.349(3) .
Eu1 O19 2.373(3) 2_656
Eu1 O20 2.392(2) .
Eu1 O33 2.418(3) 1_545
Eu1 O21 2.434(3) .
Eu1 O24 2.471(3) .
Eu1 O23 2.488(3) .
Eu1 O22 2.489(3) .
Eu1 O25 2.817(3) 2_656
Eu1 C61 2.828(4) .
Eu1 C50 2.982(4) 1_545
Eu1 Eu1 4.0281(9) 2_656
Eu2 O8 2.316(3) .
Eu2 O15 2.324(3) .
Eu2 O12 2.328(3) .
Eu2 O14 2.447(3) .
Eu2 O13 2.457(4) .
Eu2 O9 2.461(3) .
Eu2 O11 2.469(3) .
Eu2 O10 2.488(2) .
Eu2 C62 2.836(4) .
Eu3 O3 2.311(3) .
Eu3 O2 2.347(3) .
Eu3 O1 2.404(2) 2_645
Eu3 O7 2.410(3) .
Eu3 O6 2.430(3) .
Eu3 O4 2.460(3) .
Eu3 O5 2.467(3) .
Eu3 O34 2.469(3) 2_655
Eu3 C55 2.830(4) 2_655
Eu3 C8 3.197(4) .
Eu3 Eu3 4.3545(8) 2_645
Eu4 O29 2.293(3) .
Eu4 O31 2.330(3) .
Eu4 O32 2.345(3) 2_766
Eu4 O26 2.363(3) .
Eu4 O28 2.472(3) .
Eu4 O18 2.479(3) .
Eu4 O27 2.489(3) .
Eu4 O17 2.503(3) .
Eu4 C34 2.853(4) .
Eu4 C66 3.199(14) .
O26 C66 1.107(16) .
O26 C66' 1.217(10) .
C35 O20 1.242(4) .
C35 O19 1.257(4) .
C35 C30 1.508(5) .
C1 O2 1.255(4) .
C1 O1 1.255(4) .
C1 C2 1.504(5) .
O8 C63 1.237(4) .
O19 Eu1 2.373(3) 2_656
C63 O12 1.251(4) 2
C63 C11 1.498(5) .
C11 C12 1.383(5) .
C11 C10 1.383(5) .
O10 C62 1.272(4) .
O30 C36 1.251(5) .
O1 Eu3 2.404(2) 2_645
C17 C16 1.369(5) .
C17 C18 1.379(5) .
C31 C32 1.384(5) .
C31 C33 1.383(5) .
C31 C34 1.503(5) .
C28 C33 1.397(5) .
C28 C29 1.406(5) .
C28 C25 1.480(5) .
C25 C24 1.372(6) .
C25 C26 1.404(6) .
C39 C38 1.377(5) .
C39 C40 1.379(5) .
C5 C4 1.383(5) .
C5 C6 1.393(5) .
O18 C34 1.267(4) .
O9 C62 1.261(4) .
O31 C43 1.252(4) .
C6 C7 1.403(5) .
C6 C40 1.485(5) 2_655
O15 C21 1.279(5) .
O4 C55 1.259(5) 2_655
O33 C50 1.243(4) .
O33 Eu1 2.418(3) 1_565
C50 O25 1.265(4) 2_666
C50 C48 1.500(5) .
C50 Eu1 2.982(4) 1_565
C29 C30 1.387(5) .
O23 C61 1.249(5) .
O24 C61 1.244(5) .
O7 C8 1.258(4) .
C48 C47 1.388(5) .
C48 C49 1.389(5) .
O25 C50 1.265(4) 2_666
O25 Eu1 2.817(3) 2_656
C56 C54 1.360(6) .
C56 C57 1.395(6) .
C22 C27 1.383(6) .
C22 C23 1.383(6) .
C22 C21 1.490(5) .
O6 C60 1.249(7) .
O32 C43 1.244(4) .
O32 Eu4 2.345(3) 2_766
O17 C34 1.262(4) .
O29 C36 1.257(5) .
C9 C10 1.387(5) .
C9 C14 1.397(5) .
C9 C8 1.504(5) .
C41 C42 1.382(6) .
C41 C40 1.382(5) .
C44 C49 1.382(5) .
C44 C45 1.396(5) .
C44 C43 1.478(5) .
C24 C23 1.386(6) .
O34 C55 1.242(5) .
O34 Eu3 2.469(3) 2_655
C21 O16 1.243(5) .
O3 C8 1.237(4) 2_645
O12 C63 1.251(4) 2
C36 C37 1.498(5) .
C38 C37 1.396(5) .
C30 C32 1.379(5) .
N1 C60 1.317(7) .
N1 C58 1.444(8) .
N1 C59 1.492(8) .
C57 C51 1.385(6) .
C15 C20 1.382(5) .
C15 C16 1.391(5) .
C15 C13 1.499(5) .
C12 C13 1.384(5) .
C4 C3 1.387(5) .
C4 C62 1.492(5) 2_545
C46 C47 1.392(5) .
C46 C45 1.394(5) .
C46 C51 1.492(5) .
C8 O3 1.237(4) 2_645
C27 C26 1.383(6) .
C18 C19 1.373(6) .
C18 C61 1.505(5) 2_656
C40 C6 1.485(5) 2_655
C54 C53 1.368(6) .
C54 C55 1.500(5) .
C13 C14 1.398(5) .
C42 C37 1.369(6) .
C3 C2 1.395(5) .
C2 C7 1.385(5) .
C51 C52 1.383(5) .
C53 C52 1.391(6) .
C55 O4 1.259(5) 2_655
C55 Eu3 2.830(4) 2_655
C20 C19 1.383(5) .
C62 C4 1.492(5) 2_545
C61 C18 1.505(5) 2_656
C66 C66' 1.312(18) .
C66 N2 1.588(15) .
C66 C68 2.00(2) .
C66' N2 1.342(10) .
N2 C68 1.471(16) .
N2 C67 1.485(13) .
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 0.004 0.488 0.016 1800 459 ' '
