#------------------------------------------------------------------------------
#$Date: 2019-11-23 09:27:46 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232718 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/53/7235380.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_7235380
loop_
_publ_author_name
'Kyprianidou, Eleni J.'
'Lazarides, Theodore'
'Kaziannis, Spyridon'
'Kosmidis, Constantine'
'Itskos, Grigorios'
'Manos, Manolis J.'
'Tasiopoulos, Anastasios J.'
_publ_section_title
;
 Single crystal coordinating solvent exchange as a general method for the
 enhancement of the photoluminescence properties of lanthanide MOFs
;
_journal_issue                   15
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              5258
_journal_paper_doi               10.1039/c3ta14489e
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'C42 H26 Eu2 N4 O14, 3(C5 H5 N)'
_chemical_formula_sum            'C57 H41 Eu2 N7 O14'
_chemical_formula_weight         1351.89
_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                95.222(3)
_cell_angle_beta                 112.945(4)
_cell_angle_gamma                90.244(3)
_cell_formula_units_Z            2
_cell_length_a                   13.6903(4)
_cell_length_b                   14.7432(5)
_cell_length_c                   15.6518(7)
_cell_measurement_reflns_used    7240
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.0167
_cell_measurement_theta_min      2.9738
_cell_volume                     2894.4(2)
_computing_cell_refinement       'CrysAlis RED'
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;
_computing_publication_material  'WINGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4223
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20194
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    2.216
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.810
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     727
_refine_ls_number_reflns         10176
_refine_ls_number_restraints     242
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0529
_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)+(0.0765P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1404
_reflns_number_gt                7966
_reflns_number_total             10176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ta14489e2.cif
_cod_data_source_block           UCY-8-py
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               7235380
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
C1 C 0.6536(5) 0.9578(5) 0.3018(5) 0.0438(15) Uani 1 1 d .
C2 C 0.7266(5) 0.9169(5) 0.3847(5) 0.0478(16) Uani 1 1 d .
C3 C 0.8370(5) 0.9277(5) 0.4137(5) 0.0513(17) Uani 1 1 d .
H3 H 0.8654 0.9584 0.3787 0.062 Uiso 1 1 calc R
C4 C 0.9040(6) 0.8925(5) 0.4946(5) 0.0537(18) Uani 1 1 d .
H4 H 0.9771 0.9004 0.5139 0.064 Uiso 1 1 calc R
C5 C 0.8630(5) 0.8458(5) 0.5469(5) 0.0524(18) Uani 1 1 d .
C6 C 0.7545(5) 0.8348(6) 0.5173(6) 0.065(2) Uani 1 1 d .
H6 H 0.7256 0.8045 0.5521 0.078 Uiso 1 1 calc R
C7 C 0.6892(6) 0.8682(6) 0.4367(6) 0.063(2) Uani 1 1 d .
H7 H 0.6163 0.8574 0.4165 0.075 Uiso 1 1 calc R
C8 C 0.9309(6) 0.8140(5) 0.6376(6) 0.0529(18) Uani 1 1 d D
C9 C 0.3373(5) 0.8933(4) -0.0255(5) 0.0425(15) Uani 1 1 d .
C10 C 0.2374(5) 0.8376(4) -0.0858(5) 0.0406(14) Uani 1 1 d .
C11 C 1.1972(5) 0.7751(4) -0.0449(5) 0.0405(14) Uani 1 1 d .
H11 H 1.2333 0.7669 0.0178 0.049 Uiso 1 1 calc R
C12 C 1.1039(5) 0.7253(4) -0.0970(4) 0.0361(13) Uani 1 1 d .
C13 C 1.0474(5) 0.7415(4) -0.1894(5) 0.0399(14) Uani 1 1 d .
H13 H 0.9829 0.7100 -0.2235 0.048 Uiso 1 1 calc R
C14 C 0.0857(5) 0.8041(4) -0.2314(5) 0.0434(15) Uani 1 1 d .
C15 C 0.1835(5) 0.8497(4) -0.1788(5) 0.0427(15) Uani 1 1 d .
H15 H 0.2127 0.8887 -0.2069 0.051 Uiso 1 1 calc R
C16 C 1.0622(5) 0.6550(5) -0.0564(5) 0.0423(15) Uani 1 1 d .
C17 C 0.2975(7) 1.1153(8) 0.1896(7) 0.0795(17) Uani 1 1 d U
H17 H 0.3189 1.1658 0.1688 0.095 Uiso 1 1 calc R
C18 C 0.2035(7) 1.1194(8) 0.2098(7) 0.0893(19) Uani 1 1 d U
H18 H 0.1638 1.1713 0.2018 0.107 Uiso 1 1 calc R
C19 C 0.1750(8) 1.0451(9) 0.2405(8) 0.0930(19) Uani 1 1 d U
H19 H 0.1139 1.0454 0.2530 0.112 Uiso 1 1 calc R
C20 C 0.2336(7) 0.9704(8) 0.2535(7) 0.0870(18) Uani 1 1 d U
H20 H 0.2156 0.9199 0.2767 0.104 Uiso 1 1 calc R
C21 C 0.3219(7) 0.9720(7) 0.2307(7) 0.0771(16) Uani 1 1 d U
H21 H 0.3614 0.9200 0.2375 0.093 Uiso 1 1 calc R
C22 C 0.8885(5) 0.5207(4) -0.3003(5) 0.0422(15) Uani 1 1 d .
C23 C 0.8866(5) 0.5599(5) -0.3852(5) 0.0457(16) Uani 1 1 d .
C24 C 0.7917(6) 0.5812(6) -0.4544(6) 0.059(2) Uani 1 1 d .
H24 H 0.7289 0.5755 -0.4452 0.071 Uiso 1 1 calc R
C25 C 0.7890(5) 0.6105(6) -0.5364(6) 0.059(2) Uani 1 1 d .
H25 H 0.7243 0.6221 -0.5829 0.071 Uiso 1 1 calc R
C26 C 0.8822(5) 0.6230(5) 0.4504(5) 0.0493(17) Uani 1 1 d .
C27 C 0.9784(6) 0.6067(5) -0.4779(5) 0.0552(18) Uani 1 1 d .
H27 H 1.0419 0.6176 -0.4846 0.066 Uiso 1 1 calc R
C28 C 0.9802(6) 0.5749(5) -0.3981(5) 0.0515(17) Uani 1 1 d .
H28 H 1.0449 0.5631 -0.3517 0.062 Uiso 1 1 calc R
C29 C 0.8784(6) 0.6517(5) 0.3610(5) 0.0517(17) Uani 1 1 d D
C30 C 0.8446(5) 0.5958(4) 0.0058(5) 0.0402(15) Uani 1 1 d .
C31 C 0.8065(4) 0.6584(4) 0.0672(5) 0.0378(14) Uani 1 1 d .
C32 C 0.8335(5) 0.6438(4) 0.1602(5) 0.0398(14) Uani 1 1 d .
H32 H 0.8841 0.6019 0.1877 0.048 Uiso 1 1 calc R
C33 C 0.7844(5) 0.6924(5) 0.2116(5) 0.0435(15) Uani 1 1 d .
C34 C 0.7148(5) 0.7587(4) 0.1714(5) 0.0420(15) Uani 1 1 d .
H34 H 0.6814 0.7907 0.2056 0.050 Uiso 1 1 calc R
C35 C 0.6938(5) 0.7784(4) 0.0805(5) 0.0388(14) Uani 1 1 d .
C36 C 0.7388(5) 0.7261(4) 0.0285(5) 0.0402(14) Uani 1 1 d .
H36 H 0.7233 0.7367 -0.0330 0.048 Uiso 1 1 calc R
C37 C 0.6217(5) 0.8548(5) 0.0424(5) 0.0449(16) Uani 1 1 d .
C38 C 0.6587(5) 0.3290(5) -0.1839(5) 0.0500(13) Uani 1 1 d U
H38 H 0.7118 0.2872 -0.1654 0.060 Uiso 1 1 calc R
C39 C 0.5552(5) 0.2998(6) -0.2050(5) 0.0572(14) Uani 1 1 d U
H39 H 0.5390 0.2399 -0.1994 0.069 Uiso 1 1 calc R
C40 C 0.4759(6) 0.3619(6) -0.2345(6) 0.0590(15) Uani 1 1 d U
H40 H 0.4052 0.3443 -0.2502 0.071 Uiso 1 1 calc R
C41 C 0.5045(6) 0.4500(6) -0.2399(6) 0.0591(15) Uani 1 1 d U
H41 H 0.4536 0.4937 -0.2585 0.071 Uiso 1 1 calc R
C42 C 0.6104(5) 0.4722(5) -0.2171(5) 0.0544(14) Uani 1 1 d U
H42 H 0.6291 0.5316 -0.2219 0.065 Uiso 1 1 calc R
C43 C 0.9823(6) 0.1566(6) 0.9153(7) 0.0661(15) Uani 1 1 d U
H43 H 0.9337 0.1864 0.9346 0.079 Uiso 1 1 calc R
C44 C 1.0477(7) 0.0961(6) 0.9713(7) 0.0733(16) Uani 1 1 d U
H44 H 1.0451 0.0872 1.0285 0.088 Uiso 1 1 calc R
C45 C 1.1157(7) 0.0498(6) 0.9414(7) 0.0735(16) Uani 1 1 d U
H45 H 1.1600 0.0078 0.9772 0.088 Uiso 1 1 calc R
C46 C 1.1178(6) 0.0662(5) 0.8570(7) 0.0694(15) Uani 1 1 d U
H46 H 1.1631 0.0349 0.8344 0.083 Uiso 1 1 calc R
C47 C 1.0529(6) 0.1286(5) 0.8074(7) 0.0639(15) Uani 1 1 d U
H47 H 1.0554 0.1403 0.7508 0.077 Uiso 1 1 calc R
C48 C 0.8447(8) 0.2035(9) 0.5708(9) 0.098(2) Uani 1 1 d U
H48 H 0.8815 0.1667 0.6172 0.118 Uiso 1 1 calc R
C49 C 0.8150(8) 0.1713(9) 0.4732(9) 0.106(2) Uani 1 1 d U
H49 H 0.8294 0.1123 0.4565 0.127 Uiso 1 1 calc R
C50 C 0.7676(8) 0.2256(10) 0.4080(9) 0.107(2) Uani 1 1 d U
H50 H 0.7550 0.2068 0.3461 0.129 Uiso 1 1 calc R
C51 C 0.7371(8) 0.3084(9) 0.4304(8) 0.103(2) Uani 1 1 d U
H51 H 0.6989 0.3449 0.3843 0.123 Uiso 1 1 calc R
C52 C 0.7638(8) 0.3373(9) 0.5230(8) 0.093(2) Uani 1 1 d U
H52 H 0.7431 0.3945 0.5379 0.112 Uiso 1 1 calc R
C53 C 0.7146(6) 0.3655(5) 0.1998(6) 0.0615(15) Uani 1 1 d U
H53 H 0.7697 0.3582 0.2565 0.074 Uiso 1 1 calc R
C54 C 0.7327(7) 0.4210(5) 0.1411(7) 0.0662(16) Uani 1 1 d U
H54 H 0.7986 0.4508 0.1586 0.079 Uiso 1 1 calc R
C55 C 0.6537(7) 0.4321(6) 0.0571(7) 0.0719(17) Uani 1 1 d U
H55 H 0.6644 0.4684 0.0157 0.086 Uiso 1 1 calc R
C56 C 0.5583(7) 0.3877(6) 0.0363(7) 0.0755(17) Uani 1 1 d U
H56 H 0.5023 0.3941 -0.0202 0.091 Uiso 1 1 calc R
C57 C 0.5439(7) 0.3331(6) 0.0986(6) 0.0666(16) Uani 1 1 d U
H57 H 0.4780 0.3040 0.0834 0.080 Uiso 1 1 calc R
N1 N 1.0295(4) 0.8316(4) 0.6770(4) 0.0487(14) Uani 1 1 d .
N2 N 0.3540(5) 1.0424(5) 0.1998(5) 0.0671(14) Uani 1 1 d U
N3 N 0.7931(4) 0.6720(4) 0.3006(4) 0.0502(14) Uani 1 1 d .
N4 N 0.6856(4) 0.4143(4) -0.1892(4) 0.0463(11) Uani 1 1 d U
N5 N 0.9861(5) 0.1736(4) 0.8363(5) 0.0631(13) Uani 1 1 d U
N6 N 0.8180(6) 0.2878(6) 0.5933(6) 0.0864(18) Uani 1 1 d U
N7 N 0.6219(5) 0.3215(4) 0.1793(5) 0.0589(13) Uani 1 1 d U
O1 O 0.5547(4) 0.9414(3) 0.2752(3) 0.0499(12) Uani 1 1 d .
O2 O 0.6899(3) 1.0069(3) 0.2588(3) 0.0499(12) Uani 1 1 d .
O3 O 0.3585(3) 0.9081(3) 0.0595(3) 0.0476(11) Uani 1 1 d .
O4 O 0.3907(3) 0.9271(3) -0.0651(4) 0.0535(13) Uani 1 1 d .
O5 O 0.9752(3) 0.6155(3) -0.1059(3) 0.0444(11) Uani 1 1 d .
O6 O 0.8808(3) 0.3605(3) -0.0273(3) 0.0401(10) Uani 1 1 d .
O7 O 0.5441(4) 1.1648(3) 0.2278(4) 0.0602(13) Uani 1 1 d .
O8 O 0.9709(3) 0.4884(3) -0.2473(3) 0.0464(11) Uani 1 1 d .
O9 O 0.8033(3) 0.5213(3) -0.2841(3) 0.0481(11) Uani 1 1 d .
O10 O 0.9292(3) 0.5540(3) 0.0434(3) 0.0403(10) Uani 1 1 d .
O11 O 0.7888(3) 0.5840(3) -0.0783(3) 0.0441(11) Uani 1 1 d .
O12 O 0.5763(3) 0.8880(3) 0.0936(3) 0.0466(11) Uani 1 1 d .
O13 O 0.6133(3) 0.8798(3) -0.0345(3) 0.0472(11) Uani 1 1 d .
O14 O 0.8721(4) 0.3247(3) -0.2187(3) 0.0512(12) Uani 1 1 d .
H16 H 0.894(5) 0.772(4) 0.664(5) 0.061 Uiso 1 1 d D
H37 H 0.952(3) 0.661(5) 0.362(5) 0.061 Uiso 1 1 d D
Eu1 Eu 0.50368(2) 1.01880(2) 0.13457(2) 0.03709(12) Uani 1 1 d .
Eu2 Eu 0.89000(2) 0.47009(2) -0.12900(2) 0.03631(12) 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
O2 C1 O1 121.3(6) . .
O2 C1 C2 120.0(6) . .
O1 C1 C2 118.7(6) . .
O2 C1 Eu1 63.5(3) . .
O1 C1 Eu1 57.9(3) . .
C2 C1 Eu1 174.3(5) . .
C7 C2 C3 117.6(7) . .
C7 C2 C1 121.3(6) . .
C3 C2 C1 121.1(6) . .
C4 C3 C2 120.0(7) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C5 C4 C3 120.7(7) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C6 C5 C4 118.8(7) . .
C6 C5 C8 118.5(7) . .
C4 C5 C8 122.5(6) . .
C7 C6 C5 120.2(7) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C2 C7 C6 122.7(7) . .
C2 C7 H7 118.7 . .
C6 C7 H7 118.7 . .
N1 C8 C5 123.5(7) . .
N1 C8 H16 121(4) . .
C5 C8 H16 115(4) . .
O3 C9 O4 123.6(6) . .
O3 C9 C10 118.4(6) . .
O4 C9 C10 117.8(6) . .
O3 C9 Eu1 46.4(3) . .
O4 C9 Eu1 77.3(4) . .
C10 C9 Eu1 162.9(5) . .
C15 C10 C11 119.7(6) . 1_455
C15 C10 C9 121.6(6) . .
C11 C10 C9 118.6(6) 1_455 .
C12 C11 C10 120.3(6) . 1_655
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 1_655 .
C11 C12 C13 119.5(6) . .
C11 C12 C16 121.3(6) . .
C13 C12 C16 119.2(6) . .
C14 C13 C12 121.1(6) 1_655 .
C14 C13 H13 119.4 1_655 .
C12 C13 H13 119.4 . .
C13 C14 C15 118.2(6) 1_455 .
C13 C14 N1 125.4(6) 1_455 1_454
C15 C14 N1 116.2(6) . 1_454
C10 C15 C14 121.0(6) . .
C10 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
O5 C16 O6 125.0(6) . 2_765
O5 C16 C12 118.0(6) . .
O6 C16 C12 117.0(6) 2_765 .
N2 C17 C18 122.0(10) . .
N2 C17 H17 119.0 . .
C18 C17 H17 119.0 . .
C19 C18 C17 117.6(10) . .
C19 C18 H18 121.2 . .
C17 C18 H18 121.2 . .
C20 C19 C18 121.1(10) . .
C20 C19 H19 119.4 . .
C18 C19 H19 119.4 . .
C19 C20 C21 117.2(11) . .
C19 C20 H20 121.4 . .
C21 C20 H20 121.4 . .
N2 C21 C20 124.7(10) . .
N2 C21 H21 117.6 . .
C20 C21 H21 117.6 . .
O8 C22 O9 121.7(6) . .
O8 C22 C23 119.9(6) . .
O9 C22 C23 118.5(6) . .
O8 C22 Eu2 63.1(4) . .
O9 C22 Eu2 59.1(3) . .
C23 C22 Eu2 172.3(5) . .
C24 C23 C28 118.2(7) . .
C24 C23 C22 121.1(6) . .
C28 C23 C22 120.8(6) . .
C25 C24 C23 121.1(7) . .
C25 C24 H24 119.5 . .
C23 C24 H24 119.5 . .
C24 C25 C26 120.3(7) . 1_554
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 1_554 .
C25 C26 C27 118.7(7) 1_556 1_556
C25 C26 C29 119.9(6) 1_556 .
C27 C26 C29 121.4(6) 1_556 .
C28 C27 C26 120.7(7) . 1_554
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 1_554 .
C27 C28 C23 120.9(7) . .
C27 C28 H28 119.5 . .
C23 C28 H28 119.5 . .
N3 C29 C26 120.4(7) . .
N3 C29 H37 127(4) . .
C26 C29 H37 112(4) . .
O11 C30 O10 122.8(6) . .
O11 C30 C31 118.2(6) . .
O10 C30 C31 118.9(6) . .
O11 C30 Eu2 55.3(3) . .
O10 C30 Eu2 67.5(3) . .
C31 C30 Eu2 172.7(4) . .
C36 C31 C32 120.4(6) . .
C36 C31 C30 119.2(6) . .
C32 C31 C30 120.2(5) . .
C33 C32 C31 119.5(6) . .
C33 C32 H32 120.3 . .
C31 C32 H32 120.3 . .
C34 C33 C32 119.4(6) . .
C34 C33 N3 116.8(6) . .
C32 C33 N3 123.5(6) . .
C33 C34 C35 121.2(6) . .
C33 C34 H34 119.4 . .
C35 C34 H34 119.4 . .
C36 C35 C34 118.7(6) . .
C36 C35 C37 122.7(6) . .
C34 C35 C37 118.6(6) . .
C31 C36 C35 120.6(6) . .
C31 C36 H36 119.7 . .
C35 C36 H36 119.7 . .
O13 C37 O12 126.6(6) . .
O13 C37 C35 118.5(6) . .
O12 C37 C35 114.9(6) . .
N4 C38 C39 122.7(7) . .
N4 C38 H38 118.6 . .
C39 C38 H38 118.6 . .
C38 C39 C40 118.5(7) . .
C38 C39 H39 120.7 . .
C40 C39 H39 120.7 . .
C41 C40 C39 118.3(7) . .
C41 C40 H40 120.8 . .
C39 C40 H40 120.8 . .
C40 C41 C42 118.5(7) . .
C40 C41 H41 120.7 . .
C42 C41 H41 120.7 . .
N4 C42 C41 123.6(7) . .
N4 C42 H42 118.2 . .
C41 C42 H42 118.2 . .
N5 C43 C44 122.6(8) . .
N5 C43 H43 118.7 . .
C44 C43 H43 118.7 . .
C45 C44 C43 118.8(10) . .
C45 C44 H44 120.6 . .
C43 C44 H44 120.6 . .
C44 C45 C46 118.5(9) . .
C44 C45 H45 120.7 . .
C46 C45 H45 120.7 . .
C47 C46 C45 119.0(9) . .
C47 C46 H46 120.5 . .
C45 C46 H46 120.5 . .
N5 C47 C46 122.5(9) . .
N5 C47 H47 118.7 . .
C46 C47 H47 118.7 . .
N6 C48 C49 119.0(12) . .
N6 C48 H48 120.5 . .
C49 C48 H48 120.5 . .
C50 C49 C48 120.2(13) . .
C50 C49 H49 119.9 . .
C48 C49 H49 119.9 . .
C49 C50 C51 120.5(13) . .
C49 C50 H50 119.8 . .
C51 C50 H50 119.8 . .
C50 C51 C52 118.5(13) . .
C50 C51 H51 120.8 . .
C52 C51 H51 120.8 . .
N6 C52 C51 124.0(12) . .
N6 C52 H52 118.0 . .
C51 C52 H52 118.0 . .
N7 C53 C54 123.1(8) . .
N7 C53 H53 118.5 . .
C54 C53 H53 118.5 . .
C55 C54 C53 119.8(8) . .
C55 C54 H54 120.1 . .
C53 C54 H54 120.1 . .
C54 C55 C56 117.2(9) . .
C54 C55 H55 121.4 . .
C56 C55 H55 121.4 . .
C55 C56 C57 120.6(9) . .
C55 C56 H56 119.7 . .
C57 C56 H56 119.7 . .
N7 C57 C56 121.5(8) . .
N7 C57 H57 119.2 . .
C56 C57 H57 119.2 . .
C8 N1 C14 118.6(6) . 1_656
C17 N2 C21 117.3(8) . .
C17 N2 Eu1 123.2(6) . .
C21 N2 Eu1 118.5(6) . .
C29 N3 C33 122.2(6) . .
C42 N4 C38 118.3(6) . .
C42 N4 Eu2 120.7(5) . .
C38 N4 Eu2 120.8(4) . .
C43 N5 C47 118.6(8) . .
C52 N6 C48 117.6(10) . .
C57 N7 C53 117.7(8) . .
C1 O1 Eu1 95.9(4) . .
C1 O2 Eu1 90.4(4) . .
C9 O3 Eu1 111.7(4) . .
C9 O4 Eu1 176.2(4) . 2_675
C9 O4 Eu1 79.2(4) . .
Eu1 O4 Eu1 100.59(16) 2_675 .
C16 O5 Eu2 138.7(4) . .
C16 O6 Eu2 134.8(4) 2_765 .
C22 O8 Eu2 91.1(4) . .
C22 O9 Eu2 94.1(4) . .
C30 O10 Eu2 159.7(4) . 2_765
C30 O10 Eu2 86.9(4) . .
Eu2 O10 Eu2 104.00(15) 2_765 .
C30 O11 Eu2 100.2(4) . .
C37 O12 Eu1 144.3(5) . .
C37 O13 Eu1 132.2(4) . 2_675
O4 Eu1 O12 76.54(17) 2_675 .
O4 Eu1 O13 79.08(16) 2_675 2_675
O12 Eu1 O13 128.52(16) . 2_675
O4 Eu1 O3 124.54(17) 2_675 .
O12 Eu1 O3 73.70(16) . .
O13 Eu1 O3 84.37(16) 2_675 .
O4 Eu1 O7 85.50(19) 2_675 .
O12 Eu1 O7 144.56(17) . .
O13 Eu1 O7 75.90(17) 2_675 .
O3 Eu1 O7 140.17(17) . .
O4 Eu1 O1 128.89(15) 2_675 .
O12 Eu1 O1 78.38(17) . .
O13 Eu1 O1 148.20(16) 2_675 .
O3 Eu1 O1 88.90(16) . .
O7 Eu1 O1 90.14(17) . .
O4 Eu1 O2 77.70(15) 2_675 .
O12 Eu1 O2 71.70(16) . .
O13 Eu1 O2 143.67(15) 2_675 .
O3 Eu1 O2 131.93(15) . .
O7 Eu1 O2 74.77(17) . .
O1 Eu1 O2 52.25(15) . .
O4 Eu1 N2 150.6(2) 2_675 .
O12 Eu1 N2 131.9(2) . .
O13 Eu1 N2 76.1(2) 2_675 .
O3 Eu1 N2 68.4(2) . .
O7 Eu1 N2 73.4(2) . .
O1 Eu1 N2 72.5(2) . .
O2 Eu1 N2 114.71(19) . .
O4 Eu1 C1 103.09(17) 2_675 .
O12 Eu1 C1 72.23(18) . .
O13 Eu1 C1 158.29(18) 2_675 .
O3 Eu1 C1 110.63(18) . .
O7 Eu1 C1 82.70(18) . .
O1 Eu1 C1 26.20(16) . .
O2 Eu1 C1 26.09(16) . .
N2 Eu1 C1 94.4(2) . .
O4 Eu1 O4 79.41(16) 2_675 .
O12 Eu1 O4 62.82(14) . .
O13 Eu1 O4 68.56(14) 2_675 .
O3 Eu1 O4 45.41(14) . .
O7 Eu1 O4 143.35(15) . .
O1 Eu1 O4 125.16(14) . .
O2 Eu1 O4 132.58(14) . .
N2 Eu1 O4 105.50(17) . .
C1 Eu1 O4 133.15(16) . .
O4 Eu1 C9 102.85(18) 2_675 .
O12 Eu1 C9 67.51(16) . .
O13 Eu1 C9 74.88(16) 2_675 .
O3 Eu1 C9 21.95(16) . .
O7 Eu1 C9 147.35(17) . .
O1 Eu1 C9 107.47(17) . .
O2 Eu1 C9 137.68(16) . .
N2 Eu1 C9 85.7(2) . .
C1 Eu1 C9 124.54(18) . .
O4 Eu1 C9 23.49(14) . .
O4 Eu1 Eu1 46.53(13) 2_675 2_675
O12 Eu1 Eu1 62.24(12) . 2_675
O13 Eu1 Eu1 68.01(11) 2_675 2_675
O3 Eu1 Eu1 78.16(12) . 2_675
O7 Eu1 Eu1 123.30(13) . 2_675
O1 Eu1 Eu1 140.53(12) . 2_675
O2 Eu1 Eu1 112.44(12) . 2_675
N2 Eu1 Eu1 132.73(15) . 2_675
C1 Eu1 Eu1 129.05(14) . 2_675
O4 Eu1 Eu1 32.88(8) . 2_675
C9 Eu1 Eu1 56.34(12) . 2_675
O10 Eu2 O5 75.65(14) 2_765 .
O10 Eu2 O6 77.86(14) 2_765 .
O5 Eu2 O6 134.53(15) . .
O10 Eu2 O14 90.08(16) 2_765 .
O5 Eu2 O14 139.91(16) . .
O6 Eu2 O14 75.54(16) . .
O10 Eu2 O9 129.68(15) 2_765 .
O5 Eu2 O9 79.18(15) . .
O6 Eu2 O9 144.67(14) . .
O14 Eu2 O9 82.08(16) . .
O10 Eu2 O11 123.68(15) 2_765 .
O5 Eu2 O11 70.87(15) . .
O6 Eu2 O11 95.00(15) . .
O14 Eu2 O11 142.70(15) . .
O9 Eu2 O11 86.44(16) . .
O10 Eu2 O8 77.62(15) 2_765 .
O5 Eu2 O8 68.19(16) . .
O6 Eu2 O8 139.08(15) . .
O14 Eu2 O8 72.24(16) . .
O9 Eu2 O8 52.58(15) . .
O11 Eu2 O8 125.89(15) . .
O10 Eu2 N4 149.69(15) 2_765 .
O5 Eu2 N4 132.76(16) . .
O6 Eu2 N4 73.49(15) . .
O14 Eu2 N4 73.48(17) . .
O9 Eu2 N4 74.13(16) . .
O11 Eu2 N4 69.25(16) . .
O8 Eu2 N4 119.09(16) . .
O10 Eu2 O10 76.00(15) 2_765 .
O5 Eu2 O10 68.29(14) . .
O6 Eu2 O10 69.83(14) . .
O14 Eu2 O10 144.62(15) . .
O9 Eu2 O10 131.67(14) . .
O11 Eu2 O10 50.05(13) . .
O8 Eu2 O10 133.28(14) . .
N4 Eu2 O10 102.69(15) . .
O10 Eu2 C22 102.92(17) 2_765 .
O5 Eu2 C22 69.79(17) . .
O6 Eu2 C22 153.09(17) . .
O14 Eu2 C22 77.55(17) . .
O9 Eu2 C22 26.85(16) . .
O11 Eu2 C22 106.09(17) . .
O8 Eu2 C22 25.87(16) . .
N4 Eu2 C22 98.23(18) . .
O10 Eu2 C22 136.89(15) . .
O10 Eu2 C30 100.48(17) 2_765 .
O5 Eu2 C30 67.40(16) . .
O6 Eu2 C30 82.11(16) . .
O14 Eu2 C30 152.68(16) . .
O9 Eu2 C30 108.91(17) . .
O11 Eu2 C30 24.46(16) . .
O8 Eu2 C30 134.48(16) . .
N4 Eu2 C30 85.34(17) . .
O10 Eu2 C30 25.60(15) . .
C22 Eu2 C30 123.41(18) . .
O10 Eu2 Eu2 41.12(11) 2_765 2_765
O5 Eu2 Eu2 66.62(11) . 2_765
O6 Eu2 Eu2 69.04(10) . 2_765
O14 Eu2 Eu2 123.61(12) . 2_765
O9 Eu2 Eu2 145.78(11) . 2_765
O11 Eu2 Eu2 83.77(10) . 2_765
O8 Eu2 Eu2 109.78(10) . 2_765
N4 Eu2 Eu2 131.12(13) . 2_765
O10 Eu2 Eu2 34.87(8) . 2_765
C22 Eu2 Eu2 128.80(13) . 2_765
C30 Eu2 Eu2 59.73(13) . 2_765
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.254(8) .
C1 O1 1.265(7) .
C1 C2 1.477(9) .
C1 Eu1 2.851(7) .
C2 C7 1.366(10) .
C2 C3 1.402(9) .
C3 C4 1.391(10) .
C3 H3 0.9300 .
C4 C5 1.383(10) .
C4 H4 0.9300 .
C5 C6 1.376(10) .
C5 C8 1.482(10) .
C6 C7 1.368(10) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 N1 1.261(9) .
C8 H16 1.01(2) .
C9 O3 1.244(8) .
C9 O4 1.255(8) .
C9 C10 1.510(9) .
C9 Eu1 3.092(7) .
C10 C15 1.381(9) .
C10 C11 1.392(9) 1_455
C11 C12 1.380(9) .
C11 C10 1.392(9) 1_655
C11 H11 0.9300 .
C12 C13 1.392(9) .
C12 C16 1.484(9) .
C13 C14 1.391(9) 1_655
C13 H13 0.9300 .
C14 C13 1.391(9) 1_455
C14 C15 1.398(9) .
C14 N1 1.436(9) 1_454
C15 H15 0.9300 .
C16 O5 1.246(8) .
C16 O6 1.279(8) 2_765
C17 N2 1.312(11) .
C17 C18 1.440(12) .
C17 H17 0.9300 .
C18 C19 1.350(15) .
C18 H18 0.9300 .
C19 C20 1.349(14) .
C19 H19 0.9300 .
C20 C21 1.389(12) .
C20 H20 0.9300 .
C21 N2 1.324(12) .
C21 H21 0.9300 .
C22 O8 1.239(8) .
C22 O9 1.286(8) .
C22 C23 1.489(10) .
C22 Eu2 2.840(7) .
C23 C24 1.388(10) .
C23 C28 1.392(9) .
C24 C25 1.378(11) .
C24 H24 0.9300 .
C25 C26 1.385(10) 1_554
C25 H25 0.9300 .
C26 C25 1.385(10) 1_556
C26 C27 1.397(10) 1_556
C26 C29 1.480(10) .
C27 C28 1.365(10) .
C27 C26 1.397(10) 1_554
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 N3 1.242(9) .
C29 H37 1.01(2) .
C30 O11 1.233(8) .
C30 O10 1.268(7) .
C30 C31 1.510(9) .
C30 Eu2 2.932(7) .
C31 C36 1.379(8) .
C31 C32 1.393(9) .
C32 C33 1.391(9) .
C32 H32 0.9300 .
C33 C34 1.383(9) .
C33 N3 1.411(9) .
C34 C35 1.397(9) .
C34 H34 0.9300 .
C35 C36 1.384(9) .
C35 C37 1.508(9) .
C36 H36 0.9300 .
C37 O13 1.254(8) .
C37 O12 1.259(8) .
C38 N4 1.328(9) .
C38 C39 1.381(9) .
C38 H38 0.9300 .
C39 C40 1.387(10) .
C39 H39 0.9300 .
C40 C41 1.374(11) .
C40 H40 0.9300 .
C41 C42 1.381(10) .
C41 H41 0.9300 .
C42 N4 1.305(9) .
C42 H42 0.9300 .
C43 N5 1.305(11) .
C43 C44 1.378(12) .
C43 H43 0.9300 .
C44 C45 1.357(12) .
C44 H44 0.9300 .
C45 C46 1.375(13) .
C45 H45 0.9300 .
C46 C47 1.357(11) .
C46 H46 0.9300 .
C47 N5 1.324(10) .
C47 H47 0.9300 .
C48 N6 1.350(14) .
C48 C49 1.452(16) .
C48 H48 0.9300 .
C49 C50 1.319(17) .
C49 H49 0.9300 .
C50 C51 1.352(16) .
C50 H50 0.9300 .
C51 C52 1.373(15) .
C51 H51 0.9300 .
C52 N6 1.345(13) .
C52 H52 0.9300 .
C53 N7 1.331(9) .
C53 C54 1.374(11) .
C53 H53 0.9300 .
C54 C55 1.363(12) .
C54 H54 0.9300 .
C55 C56 1.365(12) .
C55 H55 0.9300 .
C56 C57 1.389(12) .
C56 H56 0.9300 .
C57 N7 1.323(11) .
C57 H57 0.9300 .
N1 C14 1.436(9) 1_656
N2 Eu1 2.633(6) .
N4 Eu2 2.679(5) .
O1 Eu1 2.429(5) .
O2 Eu1 2.552(5) .
O3 Eu1 2.408(4) .
O4 Eu1 2.298(5) 2_675
O4 Eu1 3.071(5) .
O5 Eu2 2.365(4) .
O6 C16 1.279(8) 2_765
O6 Eu2 2.405(4) .
O7 Eu1 2.420(5) .
O8 Eu2 2.533(5) .
O9 Eu2 2.443(5) .
O10 Eu2 2.357(4) 2_765
O10 Eu2 2.712(5) .
O11 Eu2 2.450(4) .
O12 Eu1 2.325(4) .
O13 Eu1 2.397(4) 2_675
O14 Eu2 2.409(5) .
Eu1 O4 2.298(5) 2_675
Eu1 O13 2.397(4) 2_675
Eu2 O10 2.357(4) 2_765
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 0.500 0.332 0.500 413 62 ' '
