#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:16:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180032 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/26/7032612.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_7032612
loop_
_publ_author_name
'Wen, Rong-Mei'
'Han, Song-De'
'Ren, Guo-Jian'
'Chang, Ze'
'Li, Yun-Wu'
'Bu, Xian-He'
_publ_section_title
;
 A flexible zwitterion ligand based lanthanide metal-organic framework for
 luminescence sensing of metal ions and small molecules.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10914
_journal_page_last               10917
_journal_paper_doi               10.1039/c4dt02445a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C30 H29 Eu N4 O11'
_chemical_formula_sum            'C30 H29 Eu N4 O11'
_chemical_formula_weight         773.53
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                107.49(3)
_cell_angle_beta                 99.21(3)
_cell_angle_gamma                97.89(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5782(19)
_cell_length_b                   12.778(3)
_cell_length_c                   18.945(4)
_cell_measurement_reflns_used    19601
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     2140.2(10)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0742
_diffrn_reflns_av_sigmaI/netI    0.0975
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18617
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.514
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_platon_squeeze_details
;
;
_refine_diff_density_max         1.019
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         7534
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0575
_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)+(0.0651P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1240
_refine_ls_wR_factor_ref         0.1306
_reflns_number_gt                5822
_reflns_number_total             7534
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02445a2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032612.cif.
;
_cod_original_cell_volume        2140.2(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7032612
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 0.8949(7) 0.4037(6) 1.0752(4) 0.0371(17) Uani 1 1 d .
C2 C 0.9692(7) 0.3329(6) 1.1036(3) 0.0394(18) Uani 1 1 d .
C3 C 0.9127(7) 0.2188(6) 1.0800(3) 0.0348(16) Uani 1 1 d .
C4 C 0.7798(7) 0.1743(6) 1.0305(3) 0.0357(16) Uani 1 1 d .
C5 C 0.7021(7) 0.2456(6) 1.0032(3) 0.0381(17) Uani 1 1 d .
C6 C 0.7609(8) 0.3594(6) 1.0239(4) 0.0397(17) Uani 1 1 d .
C7 C 0.6774(10) 0.4338(8) 0.9902(5) 0.070(3) Uani 1 1 d .
H7A H 0.6662 0.4081 0.9362 0.105 Uiso 1 1 calc R
H7B H 0.7296 0.5097 1.0107 0.105 Uiso 1 1 calc R
H7C H 0.5840 0.4300 1.0028 0.105 Uiso 1 1 calc R
C8 C 1.1133(8) 0.3810(7) 1.1615(5) 0.066(2) Uani 1 1 d .
H8A H 1.1019 0.3730 1.2092 0.098 Uiso 1 1 calc R
H8B H 1.1425 0.4588 1.1679 0.098 Uiso 1 1 calc R
H8C H 1.1855 0.3411 1.1435 0.098 Uiso 1 1 calc R
C9 C 0.7196(9) 0.0502(7) 1.0066(5) 0.067(2) Uani 1 1 d .
H9A H 0.7863 0.0152 1.0306 0.100 Uiso 1 1 calc R
H9B H 0.7053 0.0180 0.9526 0.100 Uiso 1 1 calc R
H9C H 0.6291 0.0386 1.0216 0.100 Uiso 1 1 calc R
C10 C 0.9638(9) 0.5237(6) 1.0964(4) 0.053(2) Uani 1 1 d .
H10A H 0.9203 0.5537 1.0588 0.064 Uiso 1 1 calc R
H10B H 1.0653 0.5287 1.0951 0.064 Uiso 1 1 calc R
C11 C 1.0692(8) 0.6626(7) 1.2234(5) 0.065(2) Uani 1 1 d .
H11 H 1.1590 0.6592 1.2111 0.078 Uiso 1 1 calc R
C12 C 1.0605(8) 0.7361(7) 1.2918(4) 0.063(3) Uani 1 1 d .
H12 H 1.1431 0.7823 1.3255 0.076 Uiso 1 1 calc R
C13 C 0.9257(7) 0.7396(6) 1.3095(4) 0.0384(17) Uani 1 1 d .
C14 C 0.8064(8) 0.6676(6) 1.2594(4) 0.051(2) Uani 1 1 d .
H14 H 0.7160 0.6689 1.2712 0.061 Uiso 1 1 calc R
C15 C 0.8192(8) 0.5921(7) 1.1906(4) 0.057(2) Uani 1 1 d .
H15 H 0.7393 0.5413 1.1577 0.068 Uiso 1 1 calc R
C16 C 0.9118(8) 0.8236(6) 1.3808(4) 0.0376(17) Uani 1 1 d .
C17 C 0.5556(7) 0.2000(7) 0.9504(3) 0.0444(19) Uani 1 1 d .
H17A H 0.5070 0.1378 0.9623 0.053 Uiso 1 1 calc R
H17B H 0.4982 0.2578 0.9590 0.053 Uiso 1 1 calc R
C18 C 0.4401(7) 0.1423(6) 0.8165(4) 0.0428(18) Uani 1 1 d .
H18 H 0.3549 0.1541 0.8324 0.051 Uiso 1 1 calc R
C19 C 0.4394(7) 0.1062(6) 0.7412(3) 0.0391(18) Uani 1 1 d .
H19 H 0.3539 0.0943 0.7062 0.047 Uiso 1 1 calc R
C20 C 0.5648(6) 0.0869(5) 0.7161(3) 0.0313(15) Uani 1 1 d .
C21 C 0.6878(7) 0.1042(6) 0.7700(4) 0.0376(17) Uani 1 1 d .
H21 H 0.7730 0.0902 0.7548 0.045 Uiso 1 1 calc R
C22 C 0.6873(7) 0.1419(6) 0.8457(4) 0.0430(18) Uani 1 1 d .
H22 H 0.7718 0.1542 0.8815 0.052 Uiso 1 1 calc R
C23 C 0.5689(7) 0.0477(6) 0.6330(3) 0.0331(16) Uani 1 1 d .
C24 C 1.0012(8) 0.1447(6) 1.1053(4) 0.0463(19) Uani 1 1 d .
H24A H 1.1007 0.1695 1.1039 0.056 Uiso 1 1 calc R
H24B H 0.9689 0.0693 1.0696 0.056 Uiso 1 1 calc R
C25 C 0.8698(7) 0.1385(7) 1.2071(4) 0.0467(19) Uani 1 1 d .
H25 H 0.7888 0.1467 1.1764 0.056 Uiso 1 1 calc R
C26 C 0.8589(7) 0.1242(6) 1.2746(4) 0.0407(17) Uani 1 1 d .
H26 H 0.7710 0.1216 1.2896 0.049 Uiso 1 1 calc R
C27 C 0.9801(7) 0.1135(6) 1.3207(4) 0.0389(17) Uani 1 1 d .
C28 C 1.1087(7) 0.1196(7) 1.2965(4) 0.054(2) Uani 1 1 d .
H28 H 1.1926 0.1165 1.3275 0.065 Uiso 1 1 calc R
C29 C 1.1131(8) 0.1301(7) 1.2268(4) 0.051(2) Uani 1 1 d .
H29 H 1.1987 0.1296 1.2096 0.062 Uiso 1 1 calc R
C30 C 0.9775(8) 0.0957(6) 1.3959(4) 0.0417(18) Uani 1 1 d .
Eu1 Eu 0.23569(3) 0.01276(3) 0.502495(17) 0.02936(13) Uani 1 1 d .
N1 N 0.9506(7) 0.5956(5) 1.1739(3) 0.0478(16) Uani 1 1 d .
N2 N 0.5631(5) 0.1611(4) 0.8681(3) 0.0342(13) Uani 1 1 d .
N3 N 0.9956(6) 0.1411(5) 1.1840(3) 0.0385(14) Uani 1 1 d .
N4 N 0.4829(8) 0.1675(8) 0.1698(5) 0.062(2) Uani 1 1 d .
O1 O 0.7890(5) 0.8299(4) 1.3924(2) 0.0447(12) Uani 1 1 d .
O2 O 1.0264(5) 0.8853(4) 1.4238(3) 0.0484(13) Uani 1 1 d .
O3 O 0.4532(5) 0.0345(4) 0.5870(2) 0.0487(13) Uani 1 1 d .
O4 O 0.6856(5) 0.0307(4) 0.6157(2) 0.0462(13) Uani 1 1 d .
O5 O 0.8558(5) 0.0646(4) 1.4069(3) 0.0470(13) Uani 1 1 d .
O6 O 1.0964(5) 0.1097(4) 1.4380(3) 0.0491(13) Uani 1 1 d .
O7 O 0.4002(5) 0.1839(5) 0.5067(3) 0.0645(16) Uani 1 1 d D
H7 H 0.4620 0.2478 0.5084 0.077 Uiso 1 1 d RD
O8 O 0.2946(5) -0.1732(4) 0.4799(3) 0.0614(15) Uani 1 1 d D
H8 H 0.3170 -0.2439 0.4713 0.074 Uiso 1 1 d RD
O9 O 0.5038(13) 0.1078(11) 0.1896(9) 0.233(9) Uani 1 1 d .
O10 O 0.3813(10) 0.2062(10) 0.1626(7) 0.166(4) Uani 1 1 d .
O11 O 0.5752(13) 0.2065(17) 0.1459(10) 0.294(11) 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'
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
C2 C1 C6 119.8(7) . .
C2 C1 C10 119.0(7) . .
C6 C1 C10 121.1(7) . .
C3 C2 C1 120.3(6) . .
C3 C2 C8 119.5(7) . .
C1 C2 C8 120.2(7) . .
C4 C3 C2 120.5(6) . .
C4 C3 C24 120.6(7) . .
C2 C3 C24 118.7(6) . .
C3 C4 C5 119.6(6) . .
C3 C4 C9 119.5(6) . .
C5 C4 C9 120.9(6) . .
C6 C5 C4 120.2(6) . .
C6 C5 C17 118.9(6) . .
C4 C5 C17 120.9(7) . .
C5 C6 C1 119.5(6) . .
C5 C6 C7 119.1(7) . .
C1 C6 C7 121.5(7) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C2 C8 H8A 109.5 . .
C2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C1 C10 N1 114.2(6) . .
C1 C10 H10A 108.7 . .
N1 C10 H10A 108.7 . .
C1 C10 H10B 108.7 . .
N1 C10 H10B 108.7 . .
H10A C10 H10B 107.6 . .
N1 C11 C12 121.4(7) . .
N1 C11 H11 119.3 . .
C12 C11 H11 119.3 . .
C11 C12 C13 118.5(7) . .
C11 C12 H12 120.7 . .
C13 C12 H12 120.7 . .
C14 C13 C12 119.2(6) . .
C14 C13 C16 121.1(6) . .
C12 C13 C16 119.7(6) . .
C13 C14 C15 120.9(7) . .
C13 C14 H14 119.5 . .
C15 C14 H14 119.5 . .
N1 C15 C14 117.9(7) . .
N1 C15 H15 121.0 . .
C14 C15 H15 121.0 . .
O1 C16 O2 124.9(6) . .
O1 C16 C13 118.2(6) . .
O2 C16 C13 116.9(6) . .
O1 C16 Eu1 42.2(3) . 2_667
O2 C16 Eu1 82.9(4) . 2_667
C13 C16 Eu1 158.8(5) . 2_667
N2 C17 C5 113.2(5) . .
N2 C17 H17A 108.9 . .
C5 C17 H17A 108.9 . .
N2 C17 H17B 108.9 . .
C5 C17 H17B 108.9 . .
H17A C17 H17B 107.7 . .
N2 C18 C19 120.5(6) . .
N2 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C18 C19 C20 120.7(6) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C21 C20 C19 117.5(6) . .
C21 C20 C23 120.2(6) . .
C19 C20 C23 122.3(5) . .
C22 C21 C20 121.2(6) . .
C22 C21 H21 119.4 . .
C20 C21 H21 119.4 . .
N2 C22 C21 119.6(6) . .
N2 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
O4 C23 O3 125.4(6) . .
O4 C23 C20 117.9(5) . .
O3 C23 C20 116.8(6) . .
C3 C24 N3 114.8(5) . .
C3 C24 H24A 108.6 . .
N3 C24 H24A 108.6 . .
C3 C24 H24B 108.6 . .
N3 C24 H24B 108.6 . .
H24A C24 H24B 107.5 . .
N3 C25 C26 121.2(6) . .
N3 C25 H25 119.4 . .
C26 C25 H25 119.4 . .
C25 C26 C27 119.3(6) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
C28 C27 C26 118.2(6) . .
C28 C27 C30 118.9(6) . .
C26 C27 C30 122.9(6) . .
C29 C28 C27 120.3(6) . .
C29 C28 H28 119.9 . .
C27 C28 H28 119.9 . .
N3 C29 C28 120.2(6) . .
N3 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
O6 C30 O5 127.8(7) . .
O6 C30 C27 116.1(6) . .
O5 C30 C27 116.1(6) . .
O3 Eu1 O2 145.40(19) . 1_444
O3 Eu1 O6 142.88(19) . 1_454
O2 Eu1 O6 71.65(17) 1_444 1_454
O3 Eu1 O4 100.54(15) . 2_656
O2 Eu1 O4 81.26(17) 1_444 2_656
O6 Eu1 O4 78.81(16) 1_454 2_656
O3 Eu1 O1 80.41(16) . 2_667
O2 Eu1 O1 119.21(16) 1_444 2_667
O6 Eu1 O1 78.47(17) 1_454 2_667
O4 Eu1 O1 141.94(18) 2_656 2_667
O3 Eu1 O5 80.45(16) . 2_657
O2 Eu1 O5 79.23(17) 1_444 2_657
O6 Eu1 O5 121.05(15) 1_454 2_657
O4 Eu1 O5 145.10(18) 2_656 2_657
O1 Eu1 O5 72.92(17) 2_667 2_657
O3 Eu1 O8 73.11(18) . .
O2 Eu1 O8 74.21(17) 1_444 .
O6 Eu1 O8 139.18(18) 1_454 .
O4 Eu1 O8 74.47(18) 2_656 .
O1 Eu1 O8 139.20(18) 2_667 .
O5 Eu1 O8 72.51(17) 2_657 .
O3 Eu1 O7 71.54(18) . .
O2 Eu1 O7 139.48(18) 1_444 .
O6 Eu1 O7 72.87(17) 1_454 .
O4 Eu1 O7 73.23(18) 2_656 .
O1 Eu1 O7 71.10(17) 2_667 .
O5 Eu1 O7 137.24(18) 2_657 .
O8 Eu1 O7 125.81(17) . .
O3 Eu1 C16 97.13(17) . 2_667
O2 Eu1 C16 99.26(17) 1_444 2_667
O6 Eu1 C16 70.55(17) 1_454 2_667
O4 Eu1 C16 147.27(17) 2_656 2_667
O1 Eu1 C16 19.98(16) 2_667 2_667
O5 Eu1 C16 65.06(17) 2_657 2_667
O8 Eu1 C16 137.51(18) . 2_667
O7 Eu1 C16 86.73(18) . 2_667
O3 Eu1 Eu1 140.13(11) . 2_556
O2 Eu1 Eu1 46.03(12) 1_444 2_556
O6 Eu1 Eu1 59.08(12) 1_454 2_556
O4 Eu1 Eu1 118.70(11) 2_656 2_556
O1 Eu1 Eu1 73.18(11) 2_667 2_556
O5 Eu1 Eu1 63.67(11) 2_657 2_556
O8 Eu1 Eu1 109.19(13) . 2_556
O7 Eu1 Eu1 124.31(12) . 2_556
C16 Eu1 Eu1 53.24(13) 2_667 2_556
C11 N1 C15 121.9(6) . .
C11 N1 C10 119.5(6) . .
C15 N1 C10 118.6(6) . .
C18 N2 C22 120.4(5) . .
C18 N2 C17 117.7(5) . .
C22 N2 C17 121.9(5) . .
C29 N3 C25 120.7(6) . .
C29 N3 C24 119.0(6) . .
C25 N3 C24 120.1(5) . .
O9 N4 O10 132.5(14) . .
O9 N4 O11 115.5(13) . .
O10 N4 O11 112.0(12) . .
C16 O1 Eu1 117.8(4) . 2_667
C16 O2 Eu1 175.7(5) . 1_666
C23 O3 Eu1 179.0(5) . .
C23 O4 Eu1 133.1(4) . 2_656
C30 O5 Eu1 135.7(4) . 2_657
C30 O6 Eu1 140.5(5) . 1_656
Eu1 O7 H7 179.8 . .
Eu1 O8 H8 180.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.400(9) .
C1 C6 1.408(9) .
C1 C10 1.489(10) .
C2 C3 1.391(10) .
C2 C8 1.537(9) .
C3 C4 1.386(9) .
C3 C24 1.486(9) .
C4 C5 1.413(9) .
C4 C9 1.512(10) .
C5 C6 1.396(10) .
C5 C17 1.512(9) .
C6 C7 1.536(10) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 N1 1.516(8) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N1 1.346(9) .
C11 C12 1.376(10) .
C11 H11 0.9300 .
C12 C13 1.387(9) .
C12 H12 0.9300 .
C13 C14 1.376(9) .
C13 C16 1.491(9) .
C14 C15 1.403(9) .
C14 H14 0.9300 .
C15 N1 1.344(9) .
C15 H15 0.9300 .
C16 O1 1.239(8) .
C16 O2 1.257(8) .
C16 Eu1 3.207(7) 2_667
C17 N2 1.504(8) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 N2 1.348(8) .
C18 C19 1.358(9) .
C18 H18 0.9300 .
C19 C20 1.387(9) .
C19 H19 0.9300 .
C20 C21 1.374(8) .
C20 C23 1.512(8) .
C21 C22 1.371(9) .
C21 H21 0.9300 .
C22 N2 1.355(8) .
C22 H22 0.9300 .
C23 O4 1.243(7) .
C23 O3 1.251(7) .
C24 N3 1.515(8) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 N3 1.346(8) .
C25 C26 1.363(9) .
C25 H25 0.9300 .
C26 C27 1.385(9) .
C26 H26 0.9300 .
C27 C28 1.381(9) .
C27 C30 1.514(9) .
C28 C29 1.373(10) .
C28 H28 0.9300 .
C29 N3 1.328(8) .
C29 H29 0.9300 .
C30 O6 1.238(8) .
C30 O5 1.249(8) .
Eu1 O3 2.343(4) .
Eu1 O2 2.362(5) 1_444
Eu1 O6 2.377(4) 1_454
Eu1 O4 2.408(4) 2_656
Eu1 O1 2.436(4) 2_667
Eu1 O5 2.440(5) 2_657
Eu1 O8 2.446(5) .
Eu1 O7 2.486(5) .
Eu1 C16 3.207(7) 2_667
Eu1 Eu1 4.4656(11) 2_556
N4 O9 0.977(10) .
N4 O10 1.158(10) .
N4 O11 1.174(14) .
O1 Eu1 2.436(4) 2_667
O2 Eu1 2.362(5) 1_666
O4 Eu1 2.408(4) 2_656
O5 Eu1 2.440(5) 2_657
O6 Eu1 2.377(4) 1_656
O7 H7 0.9301 .
O8 H8 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 1.4(10) . .
C10 C1 C2 C3 -174.8(6) . .
C6 C1 C2 C8 -178.2(6) . .
C10 C1 C2 C8 5.6(10) . .
C1 C2 C3 C4 -2.5(10) . .
C8 C2 C3 C4 177.1(6) . .
C1 C2 C3 C24 173.9(6) . .
C8 C2 C3 C24 -6.5(9) . .
C2 C3 C4 C5 0.7(10) . .
C24 C3 C4 C5 -175.7(6) . .
C2 C3 C4 C9 -179.0(6) . .
C24 C3 C4 C9 4.6(10) . .
C3 C4 C5 C6 2.2(10) . .
C9 C4 C5 C6 -178.1(7) . .
C3 C4 C5 C17 -178.7(6) . .
C9 C4 C5 C17 1.0(10) . .
C4 C5 C6 C1 -3.3(10) . .
C17 C5 C6 C1 177.7(6) . .
C4 C5 C6 C7 177.0(6) . .
C17 C5 C6 C7 -2.1(9) . .
C2 C1 C6 C5 1.5(10) . .
C10 C1 C6 C5 177.6(6) . .
C2 C1 C6 C7 -178.8(6) . .
C10 C1 C6 C7 -2.7(10) . .
C2 C1 C10 N1 -80.5(8) . .
C6 C1 C10 N1 103.3(8) . .
N1 C11 C12 C13 0.4(14) . .
C11 C12 C13 C14 2.0(13) . .
C11 C12 C13 C16 -176.0(8) . .
C12 C13 C14 C15 -0.9(12) . .
C16 C13 C14 C15 177.1(7) . .
C13 C14 C15 N1 -2.7(12) . .
C14 C13 C16 O1 -3.0(11) . .
C12 C13 C16 O1 175.0(7) . .
C14 C13 C16 O2 179.3(7) . .
C12 C13 C16 O2 -2.8(11) . .
C14 C13 C16 Eu1 -22.3(18) . 2_667
C12 C13 C16 Eu1 155.6(11) . 2_667
C6 C5 C17 N2 89.8(8) . .
C4 C5 C17 N2 -89.3(8) . .
N2 C18 C19 C20 0.7(11) . .
C18 C19 C20 C21 0.8(11) . .
C18 C19 C20 C23 -179.4(7) . .
C19 C20 C21 C22 -1.6(11) . .
C23 C20 C21 C22 178.7(6) . .
C20 C21 C22 N2 0.8(11) . .
C21 C20 C23 O4 0.9(10) . .
C19 C20 C23 O4 -178.8(7) . .
C21 C20 C23 O3 -179.4(6) . .
C19 C20 C23 O3 0.9(10) . .
C4 C3 C24 N3 -101.7(8) . .
C2 C3 C24 N3 81.9(8) . .
N3 C25 C26 C27 0.8(11) . .
C25 C26 C27 C28 0.9(11) . .
C25 C26 C27 C30 -179.1(7) . .
C26 C27 C28 C29 -3.3(12) . .
C30 C27 C28 C29 176.8(7) . .
C27 C28 C29 N3 3.9(13) . .
C28 C27 C30 O6 13.8(11) . .
C26 C27 C30 O6 -166.1(7) . .
C28 C27 C30 O5 -163.6(7) . .
C26 C27 C30 O5 16.5(11) . .
C12 C11 N1 C15 -4.1(14) . .
C12 C11 N1 C10 174.5(8) . .
C14 C15 N1 C11 5.2(12) . .
C14 C15 N1 C10 -173.5(7) . .
C1 C10 N1 C11 129.4(8) . .
C1 C10 N1 C15 -51.9(10) . .
C19 C18 N2 C22 -1.5(11) . .
C19 C18 N2 C17 -179.5(7) . .
C21 C22 N2 C18 0.7(11) . .
C21 C22 N2 C17 178.6(6) . .
C5 C17 N2 C18 -165.8(6) . .
C5 C17 N2 C22 16.3(10) . .
C28 C29 N3 C25 -2.1(12) . .
C28 C29 N3 C24 -175.9(7) . .
C26 C25 N3 C29 -0.3(11) . .
C26 C25 N3 C24 173.5(7) . .
C3 C24 N3 C29 -145.5(7) . .
C3 C24 N3 C25 40.6(10) . .
O2 C16 O1 Eu1 7.8(10) . 2_667
C13 C16 O1 Eu1 -169.7(5) . 2_667
O1 C16 O2 Eu1 -64(7) . 1_666
C13 C16 O2 Eu1 114(6) . 1_666
Eu1 C16 O2 Eu1 -59(6) 2_667 1_666
O4 C23 O3 Eu1 -141(29) . .
C20 C23 O3 Eu1 40(29) . .
O2 Eu1 O3 C23 -135(29) 1_444 .
O6 Eu1 O3 C23 50(29) 1_454 .
O4 Eu1 O3 C23 135(29) 2_656 .
O1 Eu1 O3 C23 -6(29) 2_667 .
O5 Eu1 O3 C23 -80(29) 2_657 .
O8 Eu1 O3 C23 -155(29) . .
O7 Eu1 O3 C23 67(29) . .
C16 Eu1 O3 C23 -17(29) 2_667 .
Eu1 Eu1 O3 C23 -55(29) 2_556 .
O3 C23 O4 Eu1 7.5(11) . 2_656
C20 C23 O4 Eu1 -172.8(4) . 2_656
O6 C30 O5 Eu1 -10.8(13) . 2_657
C27 C30 O5 Eu1 166.3(4) . 2_657
O5 C30 O6 Eu1 54.0(12) . 1_656
C27 C30 O6 Eu1 -123.1(7) . 1_656
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 0.563 0.500 1.500 783 279 ' '
