#------------------------------------------------------------------------------
#$Date: 2016-10-25 09:15:13 +0300 (Tue, 25 Oct 2016) $
#$Revision: 187549 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/68/7226899.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_7226899
loop_
_publ_author_name
'Rong, Jiewei'
'Zhang, Wen-Wei'
'Bai, Junfeng'
_publ_section_title
;
 Syntheses, structures, color tunable and white--light emitting lanthanide
 metal--organic framework materials constructed from conjugated 1,
 1'-butadiynebenzene-3, 3', 5, 5'-tetracarboxylate ligand
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA22001K
_journal_year                    2016
_chemical_formula_sum            'C42 H37 Eu2 N4 O16'
_chemical_formula_weight         1157.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-05-09 deposited with the CCDC.
2016-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.8700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.0058(13)
_cell_length_b                   21.2440(9)
_cell_length_c                   19.5943(9)
_cell_measurement_reflns_used    9869
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      34.9407
_cell_measurement_theta_min      2.2551
_cell_volume                     12461.8(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  bruker-CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            27290
_diffrn_reflns_theta_full        35.01
_diffrn_reflns_theta_max         35.01
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    2.048
_exptl_absorpt_correction_T_max  0.6969
_exptl_absorpt_correction_T_min  0.6730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4568
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_platon_squeeze_details
;
;
_refine_diff_density_max         3.186
_refine_diff_density_min         -2.888
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     617
_refine_ls_number_reflns         27290
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1345P)²+13.7309P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1998
_refine_ls_wR_factor_ref         0.2174
_reflns_number_gt                18755
_reflns_number_total             27290
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra22001k2.cif
_cod_data_source_block           qq
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7226899
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.276130(5) 0.325950(7) 0.558020(10) 0.02780(6) Uani 1 1 d . . .
Eu2 Eu 0.180830(7) 0.668400(8) 0.462430(11) 0.03660(7) Uani 1 1 d . . .
O1 O 0.34049(10) 0.40041(14) 0.57124(19) 0.0490(8) Uani 1 1 d . A .
O2 O 0.27989(10) 0.43302(14) 0.5131(2) 0.0515(8) Uani 1 1 d . A .
O3 O 0.25759(12) 0.66123(16) 0.4682(2) 0.0558(9) Uani 1 1 d . A .
O4 O 0.31048(11) 0.72921(14) 0.50137(19) 0.0515(8) Uani 1 1 d . . .
O5 O 0.68809(10) 0.69071(15) 0.54580(16) 0.0420(6) Uani 1 1 d . . .
O6 O 0.73066(9) 0.75402(15) 0.61376(16) 0.0428(7) Uani 1 1 d . . .
O7 O 0.62718(9) 0.77708(15) 0.87995(16) 0.0415(6) Uani 1 1 d . . .
O8 O 0.69523(10) 0.79229(18) 0.85019(18) 0.0536(8) Uani 1 1 d . . .
O9 O 0.19191(13) 0.55250(18) 0.4705(2) 0.0678(11) Uani 1 1 d . . .
O10 O 0.14595(16) 0.5871(2) 0.3912(3) 0.0829(15) Uani 1 1 d . . .
O11 O 0.21528(10) 0.31292(15) 0.47877(19) 0.0476(8) Uani 1 1 d . . .
O12 O 0.17000(10) 0.25485(14) 0.41133(18) 0.0473(7) Uani 1 1 d . . .
O13 O 0.29578(18) 0.3396(2) 0.6789(3) 0.0781(13) Uani 1 1 d . . .
O14 O 0.21959(16) 0.3908(2) 0.6054(3) 0.0776(12) Uani 1 1 d . . .
O15 O 0.1975(2) 0.6521(3) 0.5796(3) 0.0928(16) Uani 1 1 d . . .
O16 O 0.1126(3) 0.6670(3) 0.5174(4) 0.107(2) Uani 1 1 d . . .
C1 C 0.31781(13) 0.44379(18) 0.5429(2) 0.0426(9) Uani 1 1 d . . .
C2 C 0.33480(12) 0.50957(17) 0.5463(2) 0.0372(8) Uani 1 1 d . A .
C3 C 0.37658(12) 0.52240(18) 0.5774(2) 0.0397(9) Uani 1 1 d . . .
H3A H 0.3941 0.4897 0.5958 0.048 Uiso 1 1 calc R A .
C4 C 0.39266(12) 0.58452(18) 0.5814(2) 0.0393(8) Uani 1 1 d . A .
C5 C 0.36550(12) 0.63320(18) 0.5551(2) 0.0412(9) Uani 1 1 d . . .
H5A H 0.3757 0.6745 0.5584 0.049 Uiso 1 1 calc R A .
C6 C 0.32326(12) 0.62076(17) 0.5238(2) 0.0386(8) Uani 1 1 d . A .
C7 C 0.30815(12) 0.55934(17) 0.5194(2) 0.0406(9) Uani 1 1 d . . .
H7A H 0.2801 0.5508 0.4985 0.049 Uiso 1 1 calc R A .
C8 C 0.29536(15) 0.67400(18) 0.4953(3) 0.0440(10) Uani 1 1 d . . .
C9 C 0.43582(13) 0.5987(2) 0.6128(2) 0.0431(9) Uani 1 1 d . . .
C10 C 0.47188(13) 0.6154(2) 0.6362(3) 0.0454(10) Uani 1 1 d . A .
C11 C 0.51346(13) 0.6358(2) 0.6590(3) 0.0470(10) Uani 1 1 d . . .
C12 C 0.54996(14) 0.6563(2) 0.6780(3) 0.0466(10) Uani 1 1 d . A .
C13 C 0.59235(13) 0.6844(2) 0.6935(2) 0.0424(9) Uani 1 1 d . . .
C14 C 0.62326(13) 0.6866(2) 0.6417(2) 0.0424(9) Uani 1 1 d . A .
H14A H 0.6162 0.6680 0.5994 0.051 Uiso 1 1 calc R . .
C15 C 0.66425(12) 0.7169(2) 0.6548(2) 0.0394(8) Uani 1 1 d . . .
C16 C 0.67461(12) 0.7438(2) 0.7182(2) 0.0398(8) Uani 1 1 d . A .
H16A H 0.7023 0.7627 0.7271 0.048 Uiso 1 1 calc R . .
C17 C 0.64395(12) 0.7430(2) 0.7695(2) 0.0392(8) Uani 1 1 d . . .
C18 C 0.60305(12) 0.7130(2) 0.7564(2) 0.0423(9) Uani 1 1 d . A .
H18A H 0.5826 0.7120 0.7901 0.051 Uiso 1 1 calc R . .
C19 C 0.69692(12) 0.72052(19) 0.6010(2) 0.0374(8) Uani 1 1 d . A .
C20 C 0.65595(13) 0.7727(2) 0.8368(2) 0.0397(8) Uani 1 1 d . . .
C21 C 0.16253(18) 0.5425(2) 0.4246(3) 0.0590(14) Uani 1 1 d . . .
C22 C 0.14819(16) 0.4772(2) 0.4062(3) 0.0530(13) Uani 1 1 d . . .
C23 C 0.17220(15) 0.4247(2) 0.4302(3) 0.0514(12) Uani 1 1 d . . .
H23A H 0.1985 0.4297 0.4576 0.062 Uiso 1 1 calc R . .
C24 C 0.15674(14) 0.36443(18) 0.4131(3) 0.0458(10) Uani 1 1 d . . .
C25 C 0.11744(14) 0.35644(19) 0.3723(3) 0.0497(11) Uani 1 1 d . . .
H25A H 0.1072 0.3162 0.3610 0.060 Uiso 1 1 calc R . .
C26 C 0.09345(16) 0.4092(2) 0.3486(3) 0.0554(13) Uani 1 1 d . . .
C27 C 0.10920(17) 0.4701(2) 0.3648(3) 0.0580(14) Uani 1 1 d . . .
H27A H 0.0936 0.5053 0.3479 0.070 Uiso 1 1 calc R . .
C28 C 0.18223(13) 0.30660(18) 0.4366(3) 0.0427(9) Uani 1 1 d . . .
C29 C 0.05330(17) 0.4027(2) 0.3042(3) 0.0595(14) Uani 1 1 d . . .
C30 C 0.01967(18) 0.4004(2) 0.2704(3) 0.0658(16) Uani 1 1 d . . .
C31 C 0.3305(4) 0.3312(4) 0.7159(5) 0.094(3) Uani 1 1 d . . .
H31A H 0.3565 0.3223 0.6942 0.113 Uiso 1 1 calc R . .
C32 C 0.2924(4) 0.3430(6) 0.8152(7) 0.129(4) Uani 1 1 d . . .
H32A H 0.2693 0.3527 0.7805 0.193 Uiso 1 1 calc R . .
H32B H 0.2954 0.3771 0.8473 0.193 Uiso 1 1 calc R . .
H32C H 0.2847 0.3052 0.8385 0.193 Uiso 1 1 calc R . .
C33 C 0.3742(4) 0.3271(5) 0.8258(7) 0.137(5) Uani 1 1 d . . .
H33A H 0.3940 0.2993 0.8038 0.205 Uiso 1 1 calc R . .
H33B H 0.3677 0.3100 0.8693 0.205 Uiso 1 1 calc R . .
H33C H 0.3882 0.3675 0.8323 0.205 Uiso 1 1 calc R . .
C34 C 0.1966(5) 0.4357(7) 0.6113(9) 0.075(4) Uani 0.484(9) 1 d P A 1
H34 H 0.1948 0.4628 0.5740 0.090 Uiso 0.484(9) 1 calc PR A 1
C34A C 0.1964(5) 0.4015(8) 0.6530(9) 0.085(4) Uani 0.516(9) 1 d P A 2
H34A H 0.2131 0.4074 0.6941 0.102 Uiso 0.516(9) 1 calc PR A 2
C35 C 0.1367(6) 0.4938(9) 0.6386(10) 0.099(6) Uani 0.484(9) 1 d P A 1
H35A H 0.1386 0.5023 0.5908 0.149 Uiso 0.484(9) 1 calc PR A 1
H35B H 0.1387 0.5327 0.6637 0.149 Uiso 0.484(9) 1 calc PR A 1
H35C H 0.1088 0.4736 0.6456 0.149 Uiso 0.484(9) 1 calc PR A 1
C35A C 0.1188(6) 0.3799(9) 0.6114(9) 0.101(5) Uani 0.516(9) 1 d P A 2
H35D H 0.1325 0.3640 0.5720 0.151 Uiso 0.516(9) 1 calc PR A 2
H35E H 0.0976 0.4120 0.5974 0.151 Uiso 0.516(9) 1 calc PR A 2
H35F H 0.1038 0.3463 0.6332 0.151 Uiso 0.516(9) 1 calc PR A 2
C36 C 0.1808(6) 0.4348(9) 0.7314(10) 0.098(5) Uani 0.484(9) 1 d P A 1
H36A H 0.2006 0.3992 0.7344 0.148 Uiso 0.484(9) 1 calc PR A 1
H36B H 0.1530 0.4236 0.7495 0.148 Uiso 0.484(9) 1 calc PR A 1
H36C H 0.1941 0.4691 0.7573 0.148 Uiso 0.484(9) 1 calc PR A 1
C36A C 0.1378(6) 0.4316(8) 0.7215(9) 0.097(5) Uani 0.516(9) 1 d P A 2
H36D H 0.1627 0.4483 0.7490 0.145 Uiso 0.516(9) 1 calc PR A 2
H36E H 0.1239 0.3987 0.7462 0.145 Uiso 0.516(9) 1 calc PR A 2
H36F H 0.1165 0.4645 0.7109 0.145 Uiso 0.516(9) 1 calc PR A 2
C37 C 0.2108(4) 0.6671(4) 0.6362(6) 0.103(3) Uani 1 1 d . . .
H37 H 0.2391 0.6854 0.6374 0.124 Uiso 1 1 calc R . .
C38 C 0.2193(5) 0.6811(6) 0.7582(6) 0.131(4) Uani 1 1 d . . .
H38A H 0.2507 0.6812 0.7511 0.196 Uiso 1 1 calc R . .
H38B H 0.2135 0.6514 0.7935 0.196 Uiso 1 1 calc R . .
H38C H 0.2104 0.7224 0.7719 0.196 Uiso 1 1 calc R . .
C39 C 0.1471(5) 0.6632(6) 0.7060(8) 0.142(5) Uani 1 1 d . . .
H39A H 0.1386 0.7018 0.7271 0.213 Uiso 1 1 calc R . .
H39B H 0.1402 0.6283 0.7346 0.213 Uiso 1 1 calc R . .
H39C H 0.1311 0.6589 0.6622 0.213 Uiso 1 1 calc R . .
C40 C 0.0782(5) 0.6825(6) 0.4847(8) 0.129(4) Uani 1 1 d . . .
H40 H 0.0783 0.6968 0.4399 0.155 Uiso 1 1 calc R . .
C41 C 0.0043(5) 0.7204(8) 0.4932(8) 0.173(6) Uani 1 1 d . . .
H41A H -0.0021 0.7146 0.4449 0.260 Uiso 1 1 calc R . .
H41B H 0.0134 0.7631 0.5020 0.260 Uiso 1 1 calc R . .
H41C H -0.0219 0.7114 0.5168 0.260 Uiso 1 1 calc R . .
C42 C 0.0562(6) 0.6785(6) 0.5901(9) 0.156(6) Uani 1 1 d . . .
H42A H 0.0568 0.6363 0.6076 0.234 Uiso 1 1 calc R . .
H42B H 0.0365 0.7037 0.6154 0.234 Uiso 1 1 calc R . .
H42C H 0.0857 0.6960 0.5947 0.234 Uiso 1 1 calc R . .
N1 N 0.3338(3) 0.3339(4) 0.7840(5) 0.111(3) Uani 1 1 d . . .
N2 N 0.1732(5) 0.4529(7) 0.6624(8) 0.086(4) Uani 0.484(9) 1 d P A 1
N2A N 0.1531(5) 0.4066(7) 0.6594(8) 0.090(4) Uani 0.516(9) 1 d P A 2
N3 N 0.1951(4) 0.6640(4) 0.6972(6) 0.117(3) Uani 1 1 d . . .
N4 N 0.0401(5) 0.6779(5) 0.5171(7) 0.143(4) 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
O11 Eu1 O6 77.33(11) . 3_445
O11 Eu1 O5 78.00(12) . 5_666
O6 Eu1 O5 127.15(10) 3_445 5_666
O11 Eu1 O12 124.34(11) . 7_556
O6 Eu1 O12 79.78(11) 3_445 7_556
O5 Eu1 O12 76.94(12) 5_666 7_556
O11 Eu1 O13 142.59(16) . .
O6 Eu1 O13 74.67(14) 3_445 .
O5 Eu1 O13 139.23(15) 5_666 .
O12 Eu1 O13 74.11(16) 7_556 .
O11 Eu1 O14 77.60(15) . .
O6 Eu1 O14 75.49(15) 3_445 .
O5 Eu1 O14 141.07(15) 5_666 .
O12 Eu1 O14 141.95(16) 7_556 .
O13 Eu1 O14 71.75(18) . .
O11 Eu1 O2 85.63(10) . .
O6 Eu1 O2 144.08(12) 3_445 .
O5 Eu1 O2 78.29(12) 5_666 .
O12 Eu1 O2 135.01(11) 7_556 .
O13 Eu1 O2 103.09(15) . .
O14 Eu1 O2 70.03(15) . .
O11 Eu1 O1 135.21(11) . .
O6 Eu1 O1 145.90(11) 3_445 .
O5 Eu1 O1 78.07(11) 5_666 .
O12 Eu1 O1 85.65(10) 7_556 .
O13 Eu1 O1 71.73(15) . .
O14 Eu1 O1 99.02(14) . .
O2 Eu1 O1 52.66(9) . .
O11 Eu1 C1 111.57(11) . .
O6 Eu1 C1 153.54(13) 3_445 .
O5 Eu1 C1 79.28(12) 5_666 .
O12 Eu1 C1 111.35(11) 7_556 .
O13 Eu1 C1 85.18(15) . .
O14 Eu1 C1 82.08(15) . .
O2 Eu1 C1 26.54(10) . .
O1 Eu1 C1 26.35(10) . .
O11 Eu1 O11 78.63(10) . 7_556
O6 Eu1 O11 62.93(11) 3_445 7_556
O5 Eu1 O11 66.79(11) 5_666 7_556
O12 Eu1 O11 45.84(9) 7_556 7_556
O13 Eu1 O11 109.18(14) . 7_556
O14 Eu1 O11 135.56(13) . 7_556
O2 Eu1 O11 143.88(12) . 7_556
O1 Eu1 O11 124.05(10) . 7_556
C1 Eu1 O11 141.93(12) . 7_556
O11 Eu1 C28 102.24(11) . 7_556
O6 Eu1 C28 68.81(12) 3_445 7_556
O5 Eu1 C28 71.90(13) 5_666 7_556
O12 Eu1 C28 22.31(10) 7_556 7_556
O13 Eu1 C28 90.27(16) . 7_556
O14 Eu1 C28 143.25(16) . 7_556
O2 Eu1 C28 146.60(13) . 7_556
O1 Eu1 C28 105.46(10) . 7_556
C1 Eu1 C28 129.26(12) . 7_556
O11 Eu1 C28 23.61(8) 7_556 7_556
O11 Eu1 Eu1 45.56(8) . 7_556
O6 Eu1 Eu1 63.03(7) 3_445 7_556
O5 Eu1 Eu1 66.25(7) 5_666 7_556
O12 Eu1 Eu1 78.85(7) 7_556 7_556
O13 Eu1 Eu1 132.95(12) . 7_556
O14 Eu1 Eu1 113.61(12) . 7_556
O2 Eu1 Eu1 123.09(8) . 7_556
O1 Eu1 Eu1 143.40(9) . 7_556
C1 Eu1 Eu1 141.07(10) . 7_556
O11 Eu1 Eu1 33.07(5) 7_556 7_556
C28 Eu1 Eu1 56.68(7) 7_556 7_556
O4 Eu2 O3 87.43(12) 7_566 .
O4 Eu2 O15 79.94(17) 7_566 .
O3 Eu2 O15 78.19(19) . .
O4 Eu2 O16 87.45(18) 7_566 .
O3 Eu2 O16 150.0(2) . .
O15 Eu2 O16 71.8(2) . .
O4 Eu2 O10 153.10(13) 7_566 .
O3 Eu2 O10 111.97(15) . .
O15 Eu2 O10 121.05(18) . .
O16 Eu2 O10 84.2(2) . .
O4 Eu2 O8 86.00(14) 7_566 8_465
O3 Eu2 O8 80.11(12) . 8_465
O15 Eu2 O8 154.56(17) . 8_465
O16 Eu2 O8 128.96(19) . 8_465
O10 Eu2 O8 79.57(16) . 8_465
O4 Eu2 O9 154.89(12) 7_566 .
O3 Eu2 O9 78.61(12) . .
O15 Eu2 O9 76.85(18) . .
O16 Eu2 O9 94.24(18) . .
O10 Eu2 O9 51.63(13) . .
O8 Eu2 O9 111.60(15) 8_465 .
O4 Eu2 O7 79.33(11) 7_566 8_465
O3 Eu2 O7 131.57(12) . 8_465
O15 Eu2 O7 142.31(18) . 8_465
O16 Eu2 O7 76.18(18) . 8_465
O10 Eu2 O7 73.85(12) . 8_465
O8 Eu2 O7 52.86(10) 8_465 8_465
O9 Eu2 O7 125.42(11) . 8_465
O4 Eu2 C20 82.36(13) 7_566 8_465
O3 Eu2 C20 106.11(13) . 8_465
O15 Eu2 C20 161.58(17) . 8_465
O16 Eu2 C20 102.49(19) . 8_465
O10 Eu2 C20 74.59(15) . 8_465
O8 Eu2 C20 26.49(10) 8_465 8_465
O9 Eu2 C20 121.44(14) . 8_465
O7 Eu2 C20 26.38(10) 8_465 8_465
O4 Eu2 C21 174.50(16) 7_566 .
O3 Eu2 C21 97.27(14) . .
O15 Eu2 C21 98.17(19) . .
O16 Eu2 C21 87.1(2) . .
O10 Eu2 C21 25.85(13) . .
O8 Eu2 C21 97.59(16) 8_465 .
O9 Eu2 C21 25.94(12) . .
O7 Eu2 C21 99.49(12) 8_465 .
C20 Eu2 C21 98.99(14) 8_465 .
O4 Eu2 C40 87.6(2) 7_566 .
O3 Eu2 C40 169.1(3) . .
O15 Eu2 C40 91.4(3) . .
O16 Eu2 C40 19.9(3) . .
O10 Eu2 C40 76.0(3) . .
O8 Eu2 C40 109.2(3) 8_465 .
O9 Eu2 C40 102.3(2) . .
O7 Eu2 C40 56.7(3) 8_465 .
C20 Eu2 C40 82.8(3) 8_465 .
C21 Eu2 C40 87.2(2) . .
C1 O1 Eu1 91.5(2) . .
C1 O2 Eu1 93.7(2) . .
C8 O3 Eu2 152.0(4) . .
C8 O4 Eu2 160.6(4) . 7_566
C19 O5 Eu1 136.2(2) . 5_666
C19 O6 Eu1 139.6(3) . 3
C20 O7 Eu2 91.6(2) . 8_566
C20 O8 Eu2 94.7(3) . 8_566
C21 O9 Eu2 92.2(3) . .
C21 O10 Eu2 95.7(3) . .
C28 O11 Eu1 179.1(4) . .
C28 O11 Eu1 79.4(2) . 7_556
Eu1 O11 Eu1 101.37(10) . 7_556
C28 O12 Eu1 110.7(2) . 7_556
C31 O13 Eu1 133.9(6) . .
C34 O14 C34A 53.9(10) . .
C34 O14 Eu1 157.3(10) . .
C34A O14 Eu1 148.1(9) . .
C37 O15 Eu2 154.7(6) . .
C40 O16 Eu2 118.8(9) . .
O1 C1 O2 121.1(4) . .
O1 C1 C2 119.8(3) . .
O2 C1 C2 119.1(4) . .
O1 C1 Eu1 62.1(2) . .
O2 C1 Eu1 59.8(2) . .
C2 C1 Eu1 168.9(3) . .
C3 C2 C7 119.5(3) . .
C3 C2 C1 120.2(3) . .
C7 C2 C1 120.3(3) . .
C2 C3 C4 120.5(4) . .
C5 C4 C3 119.1(3) . .
C5 C4 C9 119.6(3) . .
C3 C4 C9 121.3(4) . .
C4 C5 C6 120.9(3) . .
C7 C6 C5 119.4(3) . .
C7 C6 C8 121.3(3) . .
C5 C6 C8 119.4(3) . .
C6 C7 C2 120.7(3) . .
O3 C8 O4 123.6(4) . .
O3 C8 C6 117.7(3) . .
O4 C8 C6 118.7(4) . .
C10 C9 C4 174.3(5) . .
C9 C10 C11 176.6(6) . .
C12 C11 C10 177.2(6) . .
C11 C12 C13 173.7(6) . .
C18 C13 C12 121.5(4) . .
C18 C13 C14 119.7(3) . .
C12 C13 C14 118.7(4) . .
C15 C14 C13 119.5(4) . .
C16 C15 C14 119.8(4) . .
C16 C15 C19 119.7(3) . .
C14 C15 C19 120.5(4) . .
C15 C16 C17 121.2(3) . .
C18 C17 C16 119.0(4) . .
C18 C17 C20 121.1(4) . .
C16 C17 C20 119.9(3) . .
C17 C18 C13 120.7(4) . .
O6 C19 O5 125.2(4) . .
O6 C19 C15 116.8(4) . .
O5 C19 C15 118.0(3) . .
O7 C20 O8 120.7(4) . .
O7 C20 C17 119.7(3) . .
O8 C20 C17 119.6(4) . .
O7 C20 Eu2 62.0(2) . 8_566
O8 C20 Eu2 58.8(2) . 8_566
C17 C20 Eu2 178.1(3) . 8_566
O9 C21 O10 119.7(5) . .
O9 C21 C22 121.2(4) . .
O10 C21 C22 119.1(4) . .
O9 C21 Eu2 61.8(3) . .
O10 C21 Eu2 58.4(3) . .
C22 C21 Eu2 174.3(4) . .
C27 C22 C23 120.5(4) . .
C27 C22 C21 117.5(4) . .
C23 C22 C21 122.0(4) . .
C22 C23 C24 119.9(4) . .
C25 C24 C23 120.4(4) . .
C25 C24 C28 118.1(3) . .
C23 C24 C28 121.5(3) . .
C24 C25 C26 119.5(4) . .
C25 C26 C27 120.4(4) . .
C25 C26 C29 121.0(4) . .
C27 C26 C29 118.6(4) . .
C22 C27 C26 119.3(4) . .
O12 C28 O11 123.5(4) . .
O12 C28 C24 117.9(3) . .
O11 C28 C24 118.5(4) . .
O12 C28 Eu1 46.94(19) . 7_556
O11 C28 Eu1 77.0(2) . 7_556
C24 C28 Eu1 162.8(3) . 7_556
C30 C29 C26 175.9(7) . .
C29 C30 C30 177.4(5) . 2
O13 C31 N1 125.5(10) . .
O14 C34 N2 130.0(17) . .
O14 C34A N2A 134.7(16) . .
O15 C37 N3 135.2(11) . .
O16 C40 N4 116.5(14) . .
O16 C40 Eu2 41.3(7) . .
N4 C40 Eu2 157.7(11) . .
C31 N1 C33 125.0(11) . .
C31 N1 C32 115.1(10) . .
C33 N1 C32 119.8(11) . .
C34 N2 C36 126.5(15) . .
C34 N2 C35 110.7(15) . .
C36 N2 C35 122.8(15) . .
C34A N2A C36A 119.0(15) . .
C34A N2A C35A 124.3(15) . .
C36A N2A C35A 116.0(14) . .
C37 N3 C38 124.2(11) . .
C37 N3 C39 121.7(12) . .
C38 N3 C39 111.1(12) . .
C40 N4 C41 115.7(13) . .
C40 N4 C42 102.9(14) . .
C41 N4 C42 119.4(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O11 2.332(3) .
Eu1 O6 2.364(3) 3_445
Eu1 O5 2.390(3) 5_666
Eu1 O12 2.406(3) 7_556
Eu1 O13 2.419(5) .
Eu1 O14 2.419(5) .
Eu1 O2 2.444(3) .
Eu1 O1 2.496(3) .
Eu1 C1 2.823(4) .
Eu1 O11 3.052(3) 7_556
Eu1 C28 3.080(4) 7_556
Eu1 Eu1 4.1906(3) 7_556
Eu2 O4 2.297(3) 7_566
Eu2 O3 2.303(4) .
Eu2 O15 2.343(6) .
Eu2 O16 2.377(8) .
Eu2 O10 2.415(4) .
Eu2 O8 2.418(3) 8_465
Eu2 O9 2.488(4) .
Eu2 O7 2.489(3) 8_465
Eu2 C20 2.818(4) 8_465
Eu2 C21 2.820(5) .
Eu2 C40 3.154(16) .
O1 C1 1.253(5) .
O2 C1 1.264(4) .
O3 C8 1.248(5) .
O4 C8 1.260(5) .
O4 Eu2 2.297(3) 7_566
O5 C19 1.266(5) .
O5 Eu1 2.390(3) 5_666
O6 C19 1.249(4) .
O6 Eu1 2.364(3) 3
O7 C20 1.253(5) .
O7 Eu2 2.489(3) 8_566
O8 C20 1.261(4) .
O8 Eu2 2.418(3) 8_566
O9 C21 1.235(6) .
O10 C21 1.236(6) .
O11 C28 1.255(4) .
O11 Eu1 3.052(3) 7_556
O12 C28 1.250(5) .
O12 Eu1 2.406(3) 7_556
O13 C31 1.243(11) .
O14 C34 1.188(15) .
O14 C34A 1.222(17) .
O15 C37 1.196(12) .
O16 C40 1.224(14) .
C1 C2 1.487(5) .
C2 C3 1.384(5) .
C2 C7 1.407(5) .
C3 C4 1.405(5) .
C4 C5 1.394(5) .
C4 C9 1.428(5) .
C5 C6 1.395(5) .
C6 C7 1.382(5) .
C6 C8 1.493(5) .
C9 C10 1.200(5) .
C10 C11 1.367(5) .
C11 C12 1.214(5) .
C12 C13 1.419(5) .
C13 C18 1.391(6) .
C13 C14 1.421(6) .
C14 C15 1.396(5) .
C15 C16 1.383(5) .
C15 C19 1.490(6) .
C16 C17 1.407(6) .
C17 C18 1.391(5) .
C17 C20 1.484(5) .
C20 Eu2 2.818(4) 8_566
C21 C22 1.489(6) .
C22 C27 1.386(6) .
C22 C23 1.393(6) .
C23 C24 1.394(5) .
C24 C25 1.389(5) .
C24 C28 1.503(5) .
C25 C26 1.396(6) .
C26 C27 1.406(6) .
C26 C29 1.444(6) .
C28 Eu1 3.080(4) 7_556
C29 C30 1.170(6) .
C30 C30 1.381(8) 2
C31 N1 1.333(13) .
C32 N1 1.435(14) .
C33 N1 1.422(13) .
C34 N2 1.31(2) .
C34A N2A 1.318(19) .
C35 N2 1.45(2) .
C35A N2A 1.46(2) .
C36 N2 1.41(2) .
C36A N2A 1.43(2) .
C37 N3 1.316(15) .
C38 N3 1.406(13) .
C39 N3 1.461(16) .
C40 N4 1.348(18) .
C41 N4 1.456(15) .
C42 N4 1.48(2) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.006 1565 279 ' '
2 0.000 0.500 -0.023 581 107 ' '
3 0.500 0.500 0.042 1565 279 ' '
4 0.500 0.000 -0.016 581 107 ' '
