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#$Date: 2025-08-20 21:34:49 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301835 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/19/4131900.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_4131900
loop_
_publ_author_name
'Bing, Tan Yan'
'Kawai, Tsuyoshi'
'Yuasa, Junpei'
_publ_section_title
;
 Ligand-to-Ligand Interactions That Direct Formation of
 D₂-Symmetrical Alternating Circular Helicate.
;
_journal_issue                   10
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3683
_journal_page_last               3689
_journal_paper_doi               10.1021/jacs.7b12663
_journal_volume                  140
_journal_year                    2018
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C176 H112 Eu4 F36 N12 O32, 3(C4 H10 O)'
_chemical_formula_sum            'C188 H142 Eu4 F36 N12 O35'
_chemical_formula_weight         4421.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.770(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   25.7797(5)
_cell_length_b                   34.9694(6)
_cell_length_c                   12.4506(2)
_cell_measurement_reflns_used    92738
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.02
_cell_volume                     10988.2(4)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            90603
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         3.022
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.218
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             4420.00
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.46
_refine_ls_abs_structure_details
;
 Flack x determined using 11112 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.020(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1233
_refine_ls_number_reflns         24488
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0211
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0298P)²+4.1910P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0512
_refine_ls_wR_factor_ref         0.0514
_reflns_Friedel_coverage         0.914
_reflns_Friedel_fraction_full    0.937
_reflns_Friedel_fraction_max     0.943
_reflns_number_gt                24045
_reflns_number_total             24488
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            '[(S)PhPybox]4(EuIII)4(BTP)6.cif'
_cod_data_source_block           exp6_2
_cod_original_cell_volume        10988.3(5)
_cod_database_code               4131900
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,-Z
3 1/2+X,1/2+Y,+Z
4 1/2-X,1/2+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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Eu1 Eu 0.28477(2) 0.35324(2) 0.22331(2) 0.02110(4) Uani 1 1 d . . .
Eu2 Eu 0.28368(2) 0.63941(2) 0.24719(2) 0.02433(4) Uani 1 1 d . . .
F1 F 0.12575(15) 0.4350(2) 0.0437(4) 0.160(3) Uani 1 1 d . . .
F2 F 0.14640(18) 0.40887(15) -0.0847(4) 0.138(2) Uani 1 1 d . . .
F3 F 0.16224(14) 0.46456(14) -0.0628(5) 0.145(2) Uani 1 1 d . . .
F4 F 0.27333(9) 0.31831(6) 0.65444(17) 0.0420(5) Uani 1 1 d . . .
F5 F 0.35734(8) 0.32323(6) 0.66478(16) 0.0403(5) Uani 1 1 d . . .
F6 F 0.31331(9) 0.27962(5) 0.56518(16) 0.0391(5) Uani 1 1 d . . .
F7 F 0.32001(9) 0.22458(6) 0.36561(19) 0.0413(5) Uani 1 1 d . . .
F8 F 0.40021(10) 0.22953(6) 0.4546(2) 0.0556(7) Uani 1 1 d . . .
F9 F 0.38373(9) 0.22083(6) 0.2803(2) 0.0467(5) Uani 1 1 d . . .
F10 F 0.44408(15) 0.70287(9) 0.1769(3) 0.0918(13) Uani 1 1 d . . .
F11 F 0.41930(11) 0.68931(9) 0.0105(3) 0.0763(9) Uani 1 1 d . . .
F12 F 0.48145(9) 0.65728(7) 0.1079(2) 0.0551(6) Uani 1 1 d . . .
F13 F 0.10163(13) 0.58345(13) 0.1586(6) 0.148(2) Uani 1 1 d . . .
F14 F 0.11892(13) 0.52526(10) 0.1549(4) 0.1197(18) Uani 1 1 d . . .
F15 F 0.13117(19) 0.56346(16) 0.0318(4) 0.135(2) Uani 1 1 d . . .
F16 F 0.30156(10) 0.76139(7) 0.4622(2) 0.0590(7) Uani 1 1 d . . .
F17 F 0.33726(13) 0.77928(6) 0.3305(2) 0.0607(7) Uani 1 1 d . . .
F18 F 0.38536(9) 0.76940(6) 0.4895(2) 0.0507(6) Uani 1 1 d . . .
O1 O 0.33032(10) 0.30603(7) -0.10019(18) 0.0340(5) Uani 1 1 d . . .
O2 O 0.11748(10) 0.29417(8) 0.1780(2) 0.0382(5) Uani 1 1 d . . .
O3 O 0.32323(9) 0.40900(6) 0.15768(17) 0.0274(5) Uani 1 1 d . . .
O4 O 0.21869(9) 0.38879(7) 0.09502(19) 0.0333(5) Uani 1 1 d . . .
O5 O 0.27529(9) 0.40355(6) 0.34297(17) 0.0265(4) Uani 1 1 d . . .
O6 O 0.28181(8) 0.32888(6) 0.40712(17) 0.0251(4) Uani 1 1 d . . .
O7 O 0.37323(8) 0.36367(5) 0.32219(16) 0.0236(4) Uani 1 1 d . . .
O8 O 0.32706(8) 0.29145(6) 0.26021(17) 0.0251(4) Uani 1 1 d . . .
O9 O 0.17976(11) 0.70762(7) -0.0431(2) 0.0453(6) Uani 1 1 d . . .
O10 O 0.17420(10) 0.65359(8) 0.5028(2) 0.0391(6) Uani 1 1 d . . .
O11 O 0.31686(10) 0.58925(6) 0.15178(19) 0.0324(5) Uani 1 1 d . . .
O12 O 0.35207(9) 0.66374(6) 0.15210(19) 0.0309(5) Uani 1 1 d . . .
O13 O 0.28900(10) 0.58086(6) 0.35005(19) 0.0307(5) Uani 1 1 d . . .
O14 O 0.20555(9) 0.60218(6) 0.1833(2) 0.0347(5) Uani 1 1 d . . .
O15 O 0.36513(8) 0.63415(6) 0.36779(17) 0.0274(4) Uani 1 1 d . . .
O16 O 0.30815(9) 0.70245(6) 0.31887(19) 0.0313(5) Uani 1 1 d . . .
O17 O 0.34757(15) 0.42364(10) -0.1680(3) 0.0703(9) Uani 1 1 d . . .
O18 O 0.5000 0.5662(3) 0.0000 0.155(4) Uani 1 2 d S T P
N1 N 0.24577(11) 0.64587(7) 0.4260(2) 0.0299(6) Uani 1 1 d . . .
N2 N 0.19464(11) 0.67855(7) 0.2370(2) 0.0307(6) Uani 1 1 d . . .
N3 N 0.19153(10) 0.32851(8) 0.2409(2) 0.0295(6) Uani 1 1 d . . .
N4 N 0.23416(11) 0.30647(7) 0.0692(2) 0.0254(5) Uani 1 1 d . . .
N5 N 0.33018(10) 0.33569(7) 0.0616(2) 0.0245(5) Uani 1 1 d . . .
N39 N 0.24226(12) 0.67154(8) 0.0646(2) 0.0345(6) Uani 1 1 d . . .
C1 C 0.42799(13) 0.33060(10) 0.1130(3) 0.0302(7) Uani 1 1 d . . .
C2 C 0.42996(14) 0.29161(11) 0.1379(3) 0.0355(7) Uani 1 1 d . . .
H2 H 0.4010 0.2755 0.1075 0.043 Uiso 1 1 calc R U .
C3 C 0.47455(15) 0.27638(12) 0.2077(3) 0.0438(9) Uani 1 1 d . . .
H3 H 0.4760 0.2498 0.2240 0.053 Uiso 1 1 calc R U .
C4 C 0.51630(14) 0.29967(13) 0.2528(3) 0.0449(9) Uani 1 1 d . . .
H4 H 0.5466 0.2891 0.3000 0.054 Uiso 1 1 calc R U .
C5 C 0.51429(14) 0.33858(12) 0.2296(3) 0.0432(9) Uani 1 1 d . . .
H5 H 0.5429 0.3548 0.2615 0.052 Uiso 1 1 calc R U .
C6 C 0.47025(12) 0.35364(12) 0.1595(3) 0.0363(7) Uani 1 1 d . . .
H6 H 0.4691 0.3802 0.1432 0.044 Uiso 1 1 calc R U .
C7 C 0.38141(12) 0.34695(9) 0.0330(2) 0.0286(6) Uani 1 1 d . . .
H7 H 0.3842 0.3755 0.0324 0.034 Uiso 1 1 calc R U .
C8 C 0.37599(15) 0.33145(11) -0.0851(3) 0.0355(7) Uani 1 1 d . . .
H8A H 0.3699 0.3526 -0.1392 0.043 Uiso 1 1 calc R U .
H8B H 0.4083 0.3173 -0.0932 0.043 Uiso 1 1 calc R U .
C9 C 0.30724(13) 0.31358(8) -0.0150(2) 0.0274(6) Uani 1 1 d . . .
C10 C 0.25518(13) 0.29595(8) -0.0162(3) 0.0279(6) Uani 1 1 d . . .
C11 C 0.23016(15) 0.27093(10) -0.0980(3) 0.0365(7) Uani 1 1 d . . .
H11 H 0.2462 0.2641 -0.1575 0.044 Uiso 1 1 calc R U .
C12 C 0.18124(16) 0.25632(10) -0.0896(3) 0.0405(8) Uani 1 1 d . . .
H12 H 0.1634 0.2388 -0.1428 0.049 Uiso 1 1 calc R U .
C13 C 0.15866(14) 0.26741(10) -0.0038(3) 0.0377(8) Uani 1 1 d . . .
H13 H 0.1249 0.2580 0.0028 0.045 Uiso 1 1 calc R U .
C14 C 0.18625(13) 0.29266(9) 0.0731(3) 0.0289(6) Uani 1 1 d . . .
C15 C 0.16590(13) 0.30643(9) 0.1678(3) 0.0295(7) Uani 1 1 d . . .
C16 C 0.10645(14) 0.31458(12) 0.2730(3) 0.0428(8) Uani 1 1 d . . .
H16A H 0.0936 0.2968 0.3237 0.051 Uiso 1 1 calc R U .
H16B H 0.0794 0.3347 0.2500 0.051 Uiso 1 1 calc R U .
C17 C 0.16001(14) 0.33234(11) 0.3278(3) 0.0358(8) Uani 1 1 d . . .
H17 H 0.1766 0.3163 0.3923 0.043 Uiso 1 1 calc R U .
C18 C 0.15542(14) 0.37311(12) 0.3653(3) 0.0426(9) Uani 1 1 d . . .
C19 C 0.1674(2) 0.38200(17) 0.4755(4) 0.0659(13) Uani 1 1 d . . .
H19 H 0.1785 0.3626 0.5288 0.079 Uiso 1 1 calc R U .
C20 C 0.1630(3) 0.4201(2) 0.5079(6) 0.097(2) Uani 1 1 d . . .
H20 H 0.1715 0.4266 0.5835 0.117 Uiso 1 1 calc R U .
C21 C 0.1464(3) 0.44779(19) 0.4312(7) 0.097(2) Uani 1 1 d . . .
H21 H 0.1419 0.4732 0.4547 0.117 Uiso 1 1 calc R U .
C22 C 0.1364(3) 0.43999(16) 0.3243(6) 0.0789(17) Uani 1 1 d . . .
H22 H 0.1267 0.4599 0.2721 0.095 Uiso 1 1 calc R U .
C23 C 0.14024(18) 0.40197(13) 0.2894(4) 0.0564(11) Uani 1 1 d . . .
H23 H 0.1324 0.3961 0.2133 0.068 Uiso 1 1 calc R U .
C24 C 0.33833(14) 0.51189(9) 0.1372(3) 0.0295(6) Uani 1 1 d . . .
H24 H 0.3031 0.5199 0.1080 0.035 Uiso 1 1 calc R U .
C25 C 0.34937(14) 0.47292(9) 0.1545(3) 0.0293(7) Uani 1 1 d . . .
C26 C 0.40128(15) 0.46179(9) 0.1987(3) 0.0338(7) Uani 1 1 d . . .
H26 H 0.4094 0.4354 0.2105 0.041 Uiso 1 1 calc R U .
C27 C 0.44074(15) 0.48842(9) 0.2254(3) 0.0414(8) Uani 1 1 d . . .
H27 H 0.4758 0.4804 0.2567 0.050 Uiso 1 1 calc R U .
C28 C 0.42969(15) 0.52743(10) 0.2070(3) 0.0380(8) Uani 1 1 d . . .
H28 H 0.4572 0.5458 0.2250 0.046 Uiso 1 1 calc R U .
C29 C 0.37855(14) 0.53898(9) 0.1624(3) 0.0305(7) Uani 1 1 d . . .
C30 C 0.30758(13) 0.44257(8) 0.1324(2) 0.0267(6) Uani 1 1 d . . .
C31 C 0.25448(14) 0.45125(10) 0.0838(3) 0.0356(7) Uani 1 1 d . . .
H31 H 0.2450 0.4769 0.0640 0.043 Uiso 1 1 calc R U .
C32 C 0.21611(14) 0.42318(10) 0.0646(3) 0.0364(7) Uani 1 1 d . . .
C33 C 0.16186(17) 0.43509(13) -0.0046(4) 0.0530(11) Uani 1 1 d . . .
C34 C 0.36404(14) 0.58062(9) 0.1499(3) 0.0317(7) Uani 1 1 d . . .
C35 C 0.40348(14) 0.60759(9) 0.1381(3) 0.0348(7) Uani 1 1 d . . .
H35 H 0.4376 0.5989 0.1318 0.042 Uiso 1 1 calc R U .
C36 C 0.39292(14) 0.64656(10) 0.1358(3) 0.0335(7) Uani 1 1 d . . .
C37 C 0.43527(16) 0.67338(10) 0.1079(3) 0.0408(8) Uani 1 1 d . . .
C38 C 0.28358(13) 0.47899(9) 0.3980(2) 0.0259(6) Uani 1 1 d . . .
H38 H 0.2557 0.4714 0.3397 0.031 Uiso 1 1 calc R U .
C39 C 0.31126(13) 0.45150(9) 0.4671(3) 0.0275(6) Uani 1 1 d . . .
C40 C 0.35218(15) 0.46241(10) 0.5523(3) 0.0354(7) Uani 1 1 d . . .
H40 H 0.3708 0.4437 0.6006 0.042 Uiso 1 1 calc R U .
C41 C 0.36572(14) 0.50074(11) 0.5664(3) 0.0396(8) Uani 1 1 d . . .
H41 H 0.3943 0.5082 0.6234 0.048 Uiso 1 1 calc R U .
C42 C 0.33782(14) 0.52822(10) 0.4978(3) 0.0348(7) Uani 1 1 d . . .
H42 H 0.3471 0.5544 0.5085 0.042 Uiso 1 1 calc R U .
C43 C 0.29617(13) 0.51751(9) 0.4131(3) 0.0285(7) Uani 1 1 d . . .
C44 C 0.29846(12) 0.41046(8) 0.4401(2) 0.0261(6) Uani 1 1 d . . .
C45 C 0.31246(13) 0.38189(9) 0.5221(3) 0.0276(6) Uani 1 1 d . . .
H45 H 0.3299 0.3891 0.5940 0.033 Uiso 1 1 calc R U .
C46 C 0.30107(11) 0.34382(8) 0.4987(2) 0.0243(6) Uani 1 1 d . . .
C47 C 0.31115(12) 0.31613(9) 0.5962(2) 0.0277(6) Uani 1 1 d . . .
C48 C 0.26788(13) 0.54834(9) 0.3400(3) 0.0293(6) Uani 1 1 d . . .
C49 C 0.21977(14) 0.54066(10) 0.2668(3) 0.0421(9) Uani 1 1 d . . .
H49 H 0.2056 0.5155 0.2641 0.050 Uiso 1 1 calc R U .
C50 C 0.19235(14) 0.56832(10) 0.1985(3) 0.0411(8) Uani 1 1 d . . .
C51 C 0.13657(19) 0.55813(14) 0.1323(6) 0.0757(18) Uani 1 1 d . . .
C52 C 0.5000 0.34560(11) 0.5000 0.0220(8) Uani 1 2 d S T P
H52 H 0.5000 0.3184 0.5000 0.026 Uiso 1 2 calc R U P
C53 C 0.45471(11) 0.36529(8) 0.4484(2) 0.0221(6) Uani 1 1 d . . .
C54 C 0.45508(13) 0.40497(9) 0.4491(3) 0.0274(6) Uani 1 1 d . . .
H54 H 0.4244 0.4186 0.4144 0.033 Uiso 1 1 calc R U .
C55 C 0.5000 0.42477(13) 0.5000 0.0322(10) Uani 1 2 d S T P
H55 H 0.5000 0.4519 0.5000 0.039 Uiso 1 2 calc R U P
C56 C 0.40645(12) 0.34453(8) 0.3880(2) 0.0228(6) Uani 1 1 d . . .
C57 C 0.40139(12) 0.30478(9) 0.4055(2) 0.0247(6) Uani 1 1 d . . .
H57 H 0.4249 0.2930 0.4650 0.030 Uiso 1 1 calc R U .
C58 C 0.36375(12) 0.28249(8) 0.3398(2) 0.0244(6) Uani 1 1 d . . .
C59 C 0.36693(14) 0.23915(9) 0.3615(3) 0.0331(7) Uani 1 1 d . . .
C60 C 0.5000 0.65575(13) 0.5000 0.0270(8) Uani 1 2 d S T P
H60 H 0.5000 0.6829 0.5000 0.032 Uiso 1 2 calc R U P
C61 C 0.45296(11) 0.63597(9) 0.4602(2) 0.0261(6) Uani 1 1 d . . .
C62 C 0.45361(13) 0.59636(10) 0.4597(3) 0.0344(7) Uani 1 1 d . . .
H62 H 0.4219 0.5827 0.4314 0.041 Uiso 1 1 calc R U .
C63 C 0.5000 0.57644(14) 0.5000 0.0391(11) Uani 1 2 d S T P
H63 H 0.5000 0.5493 0.5000 0.047 Uiso 1 2 calc R U P
C64 C 0.40172(12) 0.65565(9) 0.4153(3) 0.0274(6) Uani 1 1 d . . .
C65 C 0.39519(13) 0.69520(9) 0.4301(3) 0.0300(7) Uani 1 1 d . . .
H65 H 0.4235 0.7093 0.4729 0.036 Uiso 1 1 calc R U .
C66 C 0.34882(13) 0.71407(9) 0.3841(3) 0.0287(6) Uani 1 1 d . . .
C67 C 0.34398(15) 0.75641(10) 0.4163(3) 0.0392(8) Uani 1 1 d . . .
C68 C 0.2595(2) 0.63165(12) -0.0864(3) 0.0573(12) Uani 1 1 d . . .
C69 C 0.2189(3) 0.60646(15) -0.0834(5) 0.0787(17) Uani 1 1 d . . .
H69 H 0.1892 0.6139 -0.0541 0.094 Uiso 1 1 calc R U .
C70 C 0.2226(5) 0.56981(18) -0.1245(6) 0.128(4) Uani 1 1 d . . .
H70 H 0.1947 0.5521 -0.1238 0.153 Uiso 1 1 calc R U .
C71 C 0.2655(6) 0.5588(2) -0.1659(8) 0.165(6) Uani 1 1 d . . .
H71 H 0.2670 0.5336 -0.1938 0.198 Uiso 1 1 calc R U .
C72 C 0.3056(5) 0.5833(2) -0.1676(8) 0.156(5) Uani 1 1 d . . .
H72 H 0.3357 0.5754 -0.1952 0.187 Uiso 1 1 calc R U .
C73 C 0.3024(3) 0.61997(17) -0.1287(5) 0.093(2) Uani 1 1 d . . .
H73 H 0.3303 0.6375 -0.1311 0.112 Uiso 1 1 calc R U .
C74 C 0.25826(17) 0.67178(11) -0.0439(3) 0.0419(8) Uani 1 1 d . . .
H74 H 0.2940 0.6838 -0.0365 0.050 Uiso 1 1 calc R U .
C75 C 0.21587(17) 0.69747(12) -0.1143(3) 0.0460(9) Uani 1 1 d . . .
H75A H 0.2323 0.7206 -0.1387 0.055 Uiso 1 1 calc R U .
H75B H 0.1969 0.6835 -0.1798 0.055 Uiso 1 1 calc R U .
C76 C 0.19956(15) 0.69112(9) 0.0541(3) 0.0352(7) Uani 1 1 d . . .
C77 C 0.17044(14) 0.69506(10) 0.1423(3) 0.0368(8) Uani 1 1 d . . .
C78 C 0.12147(17) 0.71238(13) 0.1293(4) 0.0530(11) Uani 1 1 d . . .
H78 H 0.1058 0.7245 0.0623 0.064 Uiso 1 1 calc R U .
C79 C 0.0960(2) 0.71149(15) 0.2166(5) 0.0680(15) Uani 1 1 d . . .
H79 H 0.0619 0.7228 0.2098 0.082 Uiso 1 1 calc R U .
C80 C 0.11969(16) 0.69443(14) 0.3131(4) 0.0539(11) Uani 1 1 d . . .
H80 H 0.1025 0.6937 0.3738 0.065 Uiso 1 1 calc R U .
C81 C 0.16957(13) 0.67813(10) 0.3202(3) 0.0346(7) Uani 1 1 d . . .
C82 C 0.19889(13) 0.65836(9) 0.4187(3) 0.0316(7) Uani 1 1 d . . .
C83 C 0.21111(15) 0.63138(12) 0.5831(3) 0.0454(9) Uani 1 1 d . . .
H83A H 0.1972 0.6053 0.5902 0.054 Uiso 1 1 calc R U .
H83B H 0.2174 0.6440 0.6559 0.054 Uiso 1 1 calc R U .
C84 C 0.26280(14) 0.62974(9) 0.5385(3) 0.0336(7) Uani 1 1 d . . .
H84 H 0.2742 0.6026 0.5340 0.040 Uiso 1 1 calc R U .
C85 C 0.30766(14) 0.65302(11) 0.6041(3) 0.0357(7) Uani 1 1 d . . .
C86 C 0.29953(18) 0.69086(12) 0.6295(3) 0.0479(9) Uani 1 1 d . . .
H86 H 0.2661 0.7025 0.6028 0.058 Uiso 1 1 calc R U .
C87 C 0.3400(2) 0.71172(15) 0.6936(4) 0.0640(13) Uani 1 1 d . . .
H87 H 0.3339 0.7374 0.7121 0.077 Uiso 1 1 calc R U .
C88 C 0.3886(2) 0.69567(18) 0.7304(4) 0.0685(15) Uani 1 1 d . . .
H88 H 0.4162 0.7102 0.7742 0.082 Uiso 1 1 calc R U .
C89 C 0.39726(18) 0.65877(17) 0.7042(4) 0.0623(13) Uani 1 1 d . . .
H89 H 0.4312 0.6477 0.7296 0.075 Uiso 1 1 calc R U .
C90 C 0.35712(15) 0.63695(14) 0.6407(3) 0.0448(8) Uani 1 1 d . . .
H90 H 0.3637 0.6112 0.6228 0.054 Uiso 1 1 calc R U .
C91 C 0.4374(3) 0.4382(2) -0.1285(7) 0.108(3) Uani 1 1 d . . .
H91A H 0.4423 0.4301 -0.2011 0.130 Uiso 1 1 calc R U .
H91B H 0.4424 0.4162 -0.0785 0.130 Uiso 1 1 calc R U .
H91C H 0.4633 0.4581 -0.1000 0.130 Uiso 1 1 calc R U .
C92 C 0.3832(3) 0.45352(17) -0.1375(4) 0.0786(17) Uani 1 1 d . . .
H92A H 0.3791 0.4643 -0.0662 0.094 Uiso 1 1 calc R U .
H92B H 0.3766 0.4741 -0.1932 0.094 Uiso 1 1 calc R U .
C93 C 0.2934(2) 0.43573(17) -0.1873(4) 0.0704(15) Uani 1 1 d . . .
H93A H 0.2846 0.4504 -0.2567 0.085 Uiso 1 1 calc R U .
H93B H 0.2876 0.4525 -0.1268 0.085 Uiso 1 1 calc R U .
C94 C 0.2594(3) 0.4015(2) -0.1939(6) 0.0862(18) Uani 1 1 d . . .
H94A H 0.2225 0.4086 -0.2232 0.103 Uiso 1 1 calc R U .
H94B H 0.2624 0.3904 -0.1205 0.103 Uiso 1 1 calc R U .
H94C H 0.2708 0.3825 -0.2425 0.103 Uiso 1 1 calc R U .
C95 C 0.5351(5) 0.5407(3) 0.0739(10) 0.154(4) Uiso 1 1 d . . .
H95A H 0.5608 0.5279 0.0366 0.185 Uiso 1 1 calc R U .
H95B H 0.5151 0.5212 0.1061 0.185 Uiso 1 1 calc R U .
C96 C 0.5627(7) 0.5698(5) 0.1614(15) 0.254(8) Uiso 1 1 d . . .
H96A H 0.5882 0.5564 0.2180 0.305 Uiso 1 1 calc R U .
H96B H 0.5813 0.5891 0.1263 0.305 Uiso 1 1 calc R U .
H96C H 0.5360 0.5824 0.1951 0.305 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Eu Eu -0.1578 3.6682
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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
O5 Eu1 O7 76.74(7) . .
O5 Eu1 O3 73.25(8) . .
O7 Eu1 O3 68.58(7) . .
O5 Eu1 O8 130.44(7) . .
O7 Eu1 O8 72.12(7) . .
O3 Eu1 O8 125.95(7) . .
O5 Eu1 O4 83.33(8) . .
O7 Eu1 O4 136.83(7) . .
O3 Eu1 O4 69.12(8) . .
O8 Eu1 O4 144.14(7) . .
O5 Eu1 O6 69.03(7) . .
O7 Eu1 O6 77.33(7) . .
O3 Eu1 O6 133.68(7) . .
O8 Eu1 O6 67.19(7) . .
O4 Eu1 O6 129.75(8) . .
O5 Eu1 N5 142.08(8) . .
O7 Eu1 N5 84.37(7) . .
O3 Eu1 N5 69.29(8) . .
O8 Eu1 N5 71.34(7) . .
O4 Eu1 N5 88.72(8) . .
O6 Eu1 N5 138.04(7) . .
O5 Eu1 N3 88.74(8) . .
O7 Eu1 N3 143.86(8) . .
O3 Eu1 N3 138.51(8) . .
O8 Eu1 N3 94.31(8) . .
O4 Eu1 N3 71.92(8) . .
O6 Eu1 N3 66.55(8) . .
N5 Eu1 N3 123.76(8) . .
O5 Eu1 N4 145.15(8) . .
O7 Eu1 N4 138.07(7) . .
O3 Eu1 N4 115.47(8) . .
O8 Eu1 N4 73.93(7) . .
O4 Eu1 N4 70.37(8) . .
O6 Eu1 N4 110.85(7) . .
N5 Eu1 N4 61.77(8) . .
N3 Eu1 N4 62.00(9) . .
O15 Eu2 O11 83.95(8) . .
O15 Eu2 O14 139.38(7) . .
O11 Eu2 O14 78.25(8) . .
O15 Eu2 O13 69.07(8) . .
O11 Eu2 O13 69.51(8) . .
O14 Eu2 O13 70.53(8) . .
O15 Eu2 O16 72.55(7) . .
O11 Eu2 O16 140.03(8) . .
O14 Eu2 O16 139.32(8) . .
O13 Eu2 O16 126.78(8) . .
O15 Eu2 O12 72.40(8) . .
O11 Eu2 O12 69.45(8) . .
O14 Eu2 O12 131.55(8) . .
O13 Eu2 O12 125.50(7) . .
O16 Eu2 O12 72.78(8) . .
O15 Eu2 N39 139.86(9) . .
O11 Eu2 N39 90.44(9) . .
O14 Eu2 N39 76.92(9) . .
O13 Eu2 N39 144.42(9) . .
O16 Eu2 N39 87.58(9) . .
O12 Eu2 N39 68.45(9) . .
O15 Eu2 N1 84.39(8) . .
O11 Eu2 N1 136.44(8) . .
O14 Eu2 N1 83.97(9) . .
O13 Eu2 N1 67.11(8) . .
O16 Eu2 N1 73.82(8) . .
O12 Eu2 N1 143.69(8) . .
N39 Eu2 N1 123.77(9) . .
O15 Eu2 N2 136.87(8) . .
O11 Eu2 N2 138.94(9) . .
O14 Eu2 N2 66.65(8) . .
O13 Eu2 N2 114.80(9) . .
O16 Eu2 N2 72.83(8) . .
O12 Eu2 N2 119.69(8) . .
N39 Eu2 N2 62.11(9) . .
N1 Eu2 N2 61.73(8) . .
C9 O1 C8 104.8(2) . .
C15 O2 C16 104.9(3) . .
C30 O3 Eu1 135.0(2) . .
C32 O4 Eu1 132.4(2) . .
C44 O5 Eu1 131.51(19) . .
C46 O6 Eu1 128.14(19) . .
C56 O7 Eu1 135.21(18) . .
C58 O8 Eu1 127.35(18) . .
C76 O9 C75 105.7(3) . .
C82 O10 C83 104.8(3) . .
C34 O11 Eu2 129.4(2) . .
C36 O12 Eu2 127.8(2) . .
C48 O13 Eu2 137.9(2) . .
C50 O14 Eu2 134.2(2) . .
C64 O15 Eu2 138.5(2) . .
C66 O16 Eu2 130.95(19) . .
C92 O17 C93 113.0(5) . .
C95 O18 C95 104.5(12) 2_655 .
C82 N1 C84 106.9(3) . .
C82 N1 Eu2 118.9(2) . .
C84 N1 Eu2 132.6(2) . .
C81 N2 C77 118.4(3) . .
C81 N2 Eu2 120.8(2) . .
C77 N2 Eu2 120.3(2) . .
C15 N3 C17 107.1(3) . .
C15 N3 Eu1 119.7(2) . .
C17 N3 Eu1 133.0(2) . .
C14 N4 C10 117.2(3) . .
C14 N4 Eu1 121.2(2) . .
C10 N4 Eu1 121.6(2) . .
C9 N5 C7 106.2(2) . .
C9 N5 Eu1 120.6(2) . .
C7 N5 Eu1 133.16(18) . .
C76 N39 C74 107.2(3) . .
C76 N39 Eu2 121.3(2) . .
C74 N39 Eu2 131.6(2) . .
C6 C1 C2 119.0(3) . .
C6 C1 C7 120.6(3) . .
C2 C1 C7 120.3(3) . .
C1 C2 C3 119.9(3) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C4 C3 C2 120.3(4) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 120.1(3) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 119.6(4) . .
C6 C5 H5 120.2 . .
C4 C5 H5 120.2 . .
C1 C6 C5 121.1(4) . .
C1 C6 H6 119.5 . .
C5 C6 H6 119.5 . .
N5 C7 C1 111.6(2) . .
N5 C7 C8 102.8(2) . .
C1 C7 C8 113.6(3) . .
N5 C7 H7 109.5 . .
C1 C7 H7 109.5 . .
C8 C7 H7 109.5 . .
O1 C8 C7 104.5(3) . .
O1 C8 H8A 110.9 . .
C7 C8 H8A 110.9 . .
O1 C8 H8B 110.9 . .
C7 C8 H8B 110.9 . .
H8A C8 H8B 108.9 . .
N5 C9 O1 119.8(3) . .
N5 C9 C10 122.9(3) . .
O1 C9 C10 117.3(3) . .
N4 C10 C11 123.3(3) . .
N4 C10 C9 113.1(3) . .
C11 C10 C9 123.6(3) . .
C12 C11 C10 117.9(3) . .
C12 C11 H11 121.0 . .
C10 C11 H11 121.0 . .
C13 C12 C11 119.5(3) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 C14 118.6(3) . .
C12 C13 H13 120.7 . .
C14 C13 H13 120.7 . .
N4 C14 C13 123.5(3) . .
N4 C14 C15 113.3(3) . .
C13 C14 C15 123.2(3) . .
N3 C15 O2 118.7(3) . .
N3 C15 C14 123.8(3) . .
O2 C15 C14 117.4(3) . .
O2 C16 C17 104.6(3) . .
O2 C16 H16A 110.8 . .
C17 C16 H16A 110.8 . .
O2 C16 H16B 110.8 . .
C17 C16 H16B 110.8 . .
H16A C16 H16B 108.9 . .
N3 C17 C18 113.5(3) . .
N3 C17 C16 102.4(3) . .
C18 C17 C16 113.4(3) . .
N3 C17 H17 109.1 . .
C18 C17 H17 109.1 . .
C16 C17 H17 109.1 . .
C19 C18 C23 119.3(4) . .
C19 C18 C17 120.2(4) . .
C23 C18 C17 120.4(4) . .
C18 C19 C20 119.0(6) . .
C18 C19 H19 120.5 . .
C20 C19 H19 120.5 . .
C21 C20 C19 120.3(6) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C22 C21 C20 121.5(6) . .
C22 C21 H21 119.3 . .
C20 C21 H21 119.3 . .
C21 C22 C23 119.4(6) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C18 C23 C22 120.4(5) . .
C18 C23 H23 119.8 . .
C22 C23 H23 119.8 . .
C29 C24 C25 120.6(3) . .
C29 C24 H24 119.7 . .
C25 C24 H24 119.7 . .
C26 C25 C24 118.7(3) . .
C26 C25 C30 118.1(3) . .
C24 C25 C30 123.1(3) . .
C27 C26 C25 120.8(3) . .
C27 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
C26 C27 C28 120.4(3) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C29 C28 C27 119.7(3) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
C28 C29 C24 119.8(3) . .
C28 C29 C34 121.4(3) . .
C24 C29 C34 118.5(3) . .
O3 C30 C31 122.7(3) . .
O3 C30 C25 115.7(3) . .
C31 C30 C25 121.6(3) . .
C32 C31 C30 121.3(3) . .
C32 C31 H31 119.3 . .
C30 C31 H31 119.3 . .
O4 C32 C31 129.5(3) . .
O4 C32 C33 114.4(3) . .
C31 C32 C33 116.2(3) . .
F1 C33 F3 112.7(5) . .
F1 C33 F2 103.0(5) . .
F3 C33 F2 99.6(5) . .
F1 C33 C32 115.1(4) . .
F3 C33 C32 115.4(4) . .
F2 C33 C32 109.0(4) . .
O11 C34 C35 124.0(3) . .
O11 C34 C29 116.8(3) . .
C35 C34 C29 119.1(3) . .
C36 C35 C34 120.9(3) . .
C36 C35 H35 119.5 . .
C34 C35 H35 119.5 . .
O12 C36 C35 129.0(3) . .
O12 C36 C37 113.6(3) . .
C35 C36 C37 117.4(3) . .
F12 C37 F11 107.0(3) . .
F12 C37 F10 107.2(4) . .
F11 C37 F10 104.2(3) . .
F12 C37 C36 115.1(3) . .
F11 C37 C36 111.3(3) . .
F10 C37 C36 111.3(3) . .
C39 C38 C43 120.8(3) . .
C39 C38 H38 119.6 . .
C43 C38 H38 119.6 . .
C38 C39 C40 119.9(3) . .
C38 C39 C44 117.6(3) . .
C40 C39 C44 122.3(3) . .
C41 C40 C39 119.7(3) . .
C41 C40 H40 120.2 . .
C39 C40 H40 120.2 . .
C42 C41 C40 120.4(3) . .
C42 C41 H41 119.8 . .
C40 C41 H41 119.8 . .
C41 C42 C43 120.2(3) . .
C41 C42 H42 119.9 . .
C43 C42 H42 119.9 . .
C38 C43 C42 119.0(3) . .
C38 C43 C48 122.9(3) . .
C42 C43 C48 118.0(3) . .
O5 C44 C45 123.8(3) . .
O5 C44 C39 116.1(3) . .
C45 C44 C39 120.0(3) . .
C46 C45 C44 120.9(3) . .
C46 C45 H45 119.5 . .
C44 C45 H45 119.5 . .
O6 C46 C45 128.1(3) . .
O6 C46 C47 115.2(3) . .
C45 C46 C47 116.6(3) . .
F4 C47 F6 106.9(3) . .
F4 C47 F5 107.2(3) . .
F6 C47 F5 106.1(3) . .
F4 C47 C46 111.7(3) . .
F6 C47 C46 112.6(2) . .
F5 C47 C46 111.9(2) . .
O13 C48 C49 123.0(3) . .
O13 C48 C43 116.3(3) . .
C49 C48 C43 120.7(3) . .
C50 C49 C48 122.5(3) . .
C50 C49 H49 118.8 . .
C48 C49 H49 118.8 . .
O14 C50 C49 129.2(3) . .
O14 C50 C51 112.8(3) . .
C49 C50 C51 118.0(3) . .
F15 C51 F14 112.4(6) . .
F15 C51 F13 101.7(5) . .
F14 C51 F13 104.4(5) . .
F15 C51 C50 113.8(5) . .
F14 C51 C50 114.9(4) . .
F13 C51 C50 108.3(5) . .
C53 C52 C53 120.8(4) 2_656 .
C53 C52 H52 119.6 2_656 .
C53 C52 H52 119.6 . .
C54 C53 C52 119.1(3) . .
C54 C53 C56 119.3(3) . .
C52 C53 C56 121.5(3) . .
C55 C54 C53 120.4(3) . .
C55 C54 H54 119.8 . .
C53 C54 H54 119.8 . .
C54 C55 C54 120.1(4) . 2_656
C54 C55 H55 120.0 . .
C54 C55 H55 120.0 2_656 .
O7 C56 C57 123.6(3) . .
O7 C56 C53 117.1(2) . .
C57 C56 C53 119.3(3) . .
C58 C57 C56 122.7(3) . .
C58 C57 H57 118.7 . .
C56 C57 H57 118.7 . .
O8 C58 C57 130.6(3) . .
O8 C58 C59 112.8(3) . .
C57 C58 C59 116.6(3) . .
F7 C59 F8 107.5(3) . .
F7 C59 F9 106.5(3) . .
F8 C59 F9 106.5(3) . .
F7 C59 C58 111.7(3) . .
F8 C59 C58 113.7(3) . .
F9 C59 C58 110.6(3) . .
C61 C60 C61 120.6(4) . 2_656
C61 C60 H60 119.7 . .
C61 C60 H60 119.7 2_656 .
C62 C61 C60 119.1(3) . .
C62 C61 C64 118.0(3) . .
C60 C61 C64 122.9(3) . .
C61 C62 C63 120.7(3) . .
C61 C62 H62 119.6 . .
C63 C62 H62 119.6 . .
C62 C63 C62 119.7(4) 2_656 .
C62 C63 H63 120.2 2_656 .
C62 C63 H63 120.2 . .
O15 C64 C65 123.4(3) . .
O15 C64 C61 115.0(3) . .
C65 C64 C61 121.5(3) . .
C66 C65 C64 122.0(3) . .
C66 C65 H65 119.0 . .
C64 C65 H65 119.0 . .
O16 C66 C65 130.6(3) . .
O16 C66 C67 112.1(3) . .
C65 C66 C67 117.3(3) . .
F17 C67 F18 107.6(3) . .
F17 C67 F16 106.4(3) . .
F18 C67 F16 105.8(3) . .
F17 C67 C66 112.0(3) . .
F18 C67 C66 114.1(3) . .
F16 C67 C66 110.5(3) . .
C69 C68 C73 119.6(5) . .
C69 C68 C74 121.1(5) . .
C73 C68 C74 119.2(5) . .
C68 C69 C70 118.2(7) . .
C68 C69 H69 120.9 . .
C70 C69 H69 120.9 . .
C71 C70 C69 121.2(9) . .
C71 C70 H70 119.4 . .
C69 C70 H70 119.4 . .
C72 C71 C70 120.7(7) . .
C72 C71 H71 119.6 . .
C70 C71 H71 119.6 . .
C71 C72 C73 119.0(8) . .
C71 C72 H72 120.5 . .
C73 C72 H72 120.5 . .
C68 C73 C72 121.3(8) . .
C68 C73 H73 119.4 . .
C72 C73 H73 119.4 . .
N39 C74 C68 110.1(3) . .
N39 C74 C75 102.9(3) . .
C68 C74 C75 114.0(3) . .
N39 C74 H74 109.8 . .
C68 C74 H74 109.8 . .
C75 C74 H74 109.8 . .
O9 C75 C74 105.2(3) . .
O9 C75 H75A 110.7 . .
C74 C75 H75A 110.7 . .
O9 C75 H75B 110.7 . .
C74 C75 H75B 110.7 . .
H75A C75 H75B 108.8 . .
N39 C76 O9 118.9(3) . .
N39 C76 C77 122.5(3) . .
O9 C76 C77 118.6(3) . .
N2 C77 C78 122.7(4) . .
N2 C77 C76 113.7(3) . .
C78 C77 C76 123.5(4) . .
C77 C78 C79 117.9(4) . .
C77 C78 H78 121.0 . .
C79 C78 H78 121.0 . .
C80 C79 C78 120.2(4) . .
C80 C79 H79 119.9 . .
C78 C79 H79 119.9 . .
C79 C80 C81 118.3(4) . .
C79 C80 H80 120.8 . .
C81 C80 H80 120.8 . .
N2 C81 C80 122.4(4) . .
N2 C81 C82 113.9(3) . .
C80 C81 C82 123.6(4) . .
N1 C82 O10 119.8(3) . .
N1 C82 C81 122.6(3) . .
O10 C82 C81 117.6(3) . .
O10 C83 C84 105.3(3) . .
O10 C83 H83A 110.7 . .
C84 C83 H83A 110.7 . .
O10 C83 H83B 110.7 . .
C84 C83 H83B 110.7 . .
H83A C83 H83B 108.8 . .
N1 C84 C85 110.5(3) . .
N1 C84 C83 102.3(3) . .
C85 C84 C83 114.0(3) . .
N1 C84 H84 109.9 . .
C85 C84 H84 109.9 . .
C83 C84 H84 109.9 . .
C90 C85 C86 119.0(4) . .
C90 C85 C84 120.8(3) . .
C86 C85 C84 120.2(3) . .
C87 C86 C85 120.2(4) . .
C87 C86 H86 119.9 . .
C85 C86 H86 119.9 . .
C88 C87 C86 120.6(5) . .
C88 C87 H87 119.7 . .
C86 C87 H87 119.7 . .
C89 C88 C87 119.7(4) . .
C89 C88 H88 120.2 . .
C87 C88 H88 120.2 . .
C88 C89 C90 121.0(5) . .
C88 C89 H89 119.5 . .
C90 C89 H89 119.5 . .
C85 C90 C89 119.5(4) . .
C85 C90 H90 120.3 . .
C89 C90 H90 120.3 . .
C92 C91 H91A 109.5 . .
C92 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C92 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
O17 C92 C91 108.0(6) . .
O17 C92 H92A 110.1 . .
C91 C92 H92A 110.1 . .
O17 C92 H92B 110.1 . .
C91 C92 H92B 110.1 . .
H92A C92 H92B 108.4 . .
O17 C93 C94 108.5(5) . .
O17 C93 H93A 110.0 . .
C94 C93 H93A 110.0 . .
O17 C93 H93B 110.0 . .
C94 C93 H93B 110.0 . .
H93A C93 H93B 108.4 . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
O18 C95 C96 100.3(11) . .
O18 C95 H95A 111.7 . .
C96 C95 H95A 111.7 . .
O18 C95 H95B 111.7 . .
C96 C95 H95B 111.7 . .
H95A C95 H95B 109.5 . .
C95 C96 H96A 109.5 . .
C95 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
C95 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O5 2.350(2) .
Eu1 O7 2.388(2) .
Eu1 O3 2.405(2) .
Eu1 O8 2.422(2) .
Eu1 O4 2.427(2) .
Eu1 O6 2.458(2) .
Eu1 N5 2.600(3) .
Eu1 N3 2.606(3) .
Eu1 N4 2.653(2) .
Eu2 O15 2.326(2) .
Eu2 O11 2.374(2) .
Eu2 O14 2.394(2) .
Eu2 O13 2.404(2) .
Eu2 O16 2.413(2) .
Eu2 O12 2.467(2) .
Eu2 N39 2.565(3) .
Eu2 N1 2.618(3) .
Eu2 N2 2.653(3) .
F1 C33 1.207(6) .
F2 C33 1.354(6) .
F3 C33 1.261(6) .
F4 C47 1.331(4) .
F5 C47 1.340(4) .
F6 C47 1.338(4) .
F7 C59 1.323(4) .
F8 C59 1.336(4) .
F9 C59 1.341(4) .
F10 C37 1.331(5) .
F11 C37 1.322(5) .
F12 C37 1.317(4) .
F13 C51 1.350(8) .
F14 C51 1.289(6) .
F15 C51 1.244(8) .
F16 C67 1.344(5) .
F17 C67 1.317(4) .
F18 C67 1.333(4) .
O1 C9 1.344(4) .
O1 C8 1.457(4) .
O2 C15 1.350(4) .
O2 C16 1.458(5) .
O3 C30 1.260(4) .
O4 C32 1.258(4) .
O5 C44 1.258(4) .
O6 C46 1.260(4) .
O7 C56 1.251(3) .
O8 C58 1.262(4) .
O9 C76 1.344(4) .
O9 C75 1.455(5) .
O10 C82 1.342(4) .
O10 C83 1.456(5) .
O11 C34 1.258(4) .
O12 C36 1.264(4) .
O13 C48 1.256(4) .
O14 C50 1.257(4) .
O15 C64 1.256(4) .
O16 C66 1.255(4) .
O17 C92 1.393(7) .
O17 C93 1.431(6) .
O18 C95 1.456(12) 2_655
O18 C95 1.456(12) .
N1 C82 1.271(4) .
N1 C84 1.491(4) .
N2 C81 1.327(5) .
N2 C77 1.347(4) .
N3 C15 1.271(4) .
N3 C17 1.486(4) .
N4 C14 1.337(4) .
N4 C10 1.339(4) .
N5 C9 1.276(4) .
N5 C7 1.489(4) .
N39 C76 1.280(5) .
N39 C74 1.491(5) .
C1 C6 1.384(5) .
C1 C2 1.397(5) .
C1 C7 1.508(4) .
C2 C3 1.397(5) .
C2 H2 0.9500 .
C3 C4 1.375(6) .
C3 H3 0.9500 .
C4 C5 1.390(6) .
C4 H4 0.9500 .
C5 C6 1.387(5) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.547(4) .
C7 H7 1.0000 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.474(5) .
C10 C11 1.397(4) .
C11 C12 1.384(5) .
C11 H11 0.9500 .
C12 C13 1.373(6) .
C12 H12 0.9500 .
C13 C14 1.388(5) .
C13 H13 0.9500 .
C14 C15 1.466(5) .
C16 C17 1.541(5) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.512(6) .
C17 H17 1.0000 .
C18 C19 1.380(6) .
C18 C23 1.383(6) .
C19 C20 1.403(8) .
C19 H19 0.9500 .
C20 C21 1.366(10) .
C20 H20 0.9500 .
C21 C22 1.331(10) .
C21 H21 0.9500 .
C22 C23 1.409(7) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C29 1.392(5) .
C24 C25 1.400(4) .
C24 H24 0.9500 .
C25 C26 1.395(5) .
C25 C30 1.497(5) .
C26 C27 1.369(5) .
C26 H26 0.9500 .
C27 C28 1.403(5) .
C27 H27 0.9500 .
C28 C29 1.382(5) .
C28 H28 0.9500 .
C29 C34 1.504(4) .
C30 C31 1.412(5) .
C31 C32 1.379(5) .
C31 H31 0.9500 .
C32 C33 1.543(5) .
C34 C35 1.416(5) .
C35 C36 1.389(5) .
C35 H35 0.9500 .
C36 C37 1.532(5) .
C38 C39 1.387(4) .
C38 C43 1.389(4) .
C38 H38 0.9500 .
C39 C40 1.388(5) .
C39 C44 1.496(4) .
C40 C41 1.387(5) .
C40 H40 0.9500 .
C41 C42 1.386(5) .
C41 H41 0.9500 .
C42 C43 1.394(5) .
C42 H42 0.9500 .
C43 C48 1.500(5) .
C44 C45 1.421(4) .
C45 C46 1.382(4) .
C45 H45 0.9500 .
C46 C47 1.532(4) .
C48 C49 1.407(5) .
C49 C50 1.383(5) .
C49 H49 0.9500 .
C50 C51 1.546(6) .
C52 C53 1.394(3) 2_656
C52 C53 1.394(3) .
C52 H52 0.9500 .
C53 C54 1.388(4) .
C53 C56 1.503(4) .
C54 C55 1.387(4) .
C54 H54 0.9500 .
C55 C54 1.387(4) 2_656
C55 H55 0.9500 .
C56 C57 1.417(4) .
C57 C58 1.376(4) .
C57 H57 0.9500 .
C58 C59 1.539(4) .
C60 C61 1.396(4) .
C60 C61 1.396(4) 2_656
C60 H60 0.9500 .
C61 C62 1.385(5) .
C61 C64 1.493(4) .
C62 C63 1.386(4) .
C62 H62 0.9500 .
C63 C62 1.386(4) 2_656
C63 H63 0.9500 .
C64 C65 1.410(4) .
C65 C66 1.383(5) .
C65 H65 0.9500 .
C66 C67 1.546(4) .
C68 C69 1.374(8) .
C68 C73 1.379(8) .
C68 C74 1.503(6) .
C69 C70 1.390(8) .
C69 H69 0.9500 .
C70 C71 1.368(14) .
C70 H70 0.9500 .
C71 C72 1.345(16) .
C71 H71 0.9500 .
C72 C73 1.380(9) .
C72 H72 0.9500 .
C73 H73 0.9500 .
C74 C75 1.543(5) .
C74 H74 1.0000 .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C76 C77 1.458(5) .
C77 C78 1.380(5) .
C78 C79 1.381(7) .
C78 H78 0.9500 .
C79 C80 1.369(7) .
C79 H79 0.9500 .
C80 C81 1.393(5) .
C80 H80 0.9500 .
C81 C82 1.475(5) .
C83 C84 1.546(5) .
C83 H83A 0.9900 .
C83 H83B 0.9900 .
C84 C85 1.510(5) .
C84 H84 1.0000 .
C85 C90 1.383(5) .
C85 C86 1.386(5) .
C86 C87 1.386(6) .
C86 H86 0.9500 .
C87 C88 1.362(8) .
C87 H87 0.9500 .
C88 C89 1.361(8) .
C88 H88 0.9500 .
C89 C90 1.394(6) .
C89 H89 0.9500 .
C90 H90 0.9500 .
C91 C92 1.478(10) .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
C93 C94 1.477(9) .
C93 H93A 0.9900 .
C93 H93B 0.9900 .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
C95 C96 1.554(18) .
C95 H95A 0.9900 .
C95 H95B 0.9900 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
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 -0.9(5) . .
C7 C1 C2 C3 176.6(3) . .
C1 C2 C3 C4 0.7(6) . .
C2 C3 C4 C5 0.2(6) . .
C3 C4 C5 C6 -0.8(5) . .
C2 C1 C6 C5 0.3(5) . .
C7 C1 C6 C5 -177.2(3) . .
C4 C5 C6 C1 0.6(5) . .
C9 N5 C7 C1 -112.8(3) . .
Eu1 N5 C7 C1 68.4(3) . .
C9 N5 C7 C8 9.3(3) . .
Eu1 N5 C7 C8 -169.5(2) . .
C6 C1 C7 N5 -131.2(3) . .
C2 C1 C7 N5 51.2(4) . .
C6 C1 C7 C8 113.1(3) . .
C2 C1 C7 C8 -64.5(4) . .
C9 O1 C8 C7 12.4(3) . .
N5 C7 C8 O1 -13.2(3) . .
C1 C7 C8 O1 107.5(3) . .
C7 N5 C9 O1 -1.6(4) . .
Eu1 N5 C9 O1 177.3(2) . .
C7 N5 C9 C10 179.5(3) . .
Eu1 N5 C9 C10 -1.6(4) . .
C8 O1 C9 N5 -7.5(4) . .
C8 O1 C9 C10 171.5(3) . .
C14 N4 C10 C11 -1.6(4) . .
Eu1 N4 C10 C11 178.9(2) . .
C14 N4 C10 C9 178.2(3) . .
Eu1 N4 C10 C9 -1.2(3) . .
N5 C9 C10 N4 1.9(4) . .
O1 C9 C10 N4 -177.1(3) . .
N5 C9 C10 C11 -178.3(3) . .
O1 C9 C10 C11 2.7(4) . .
N4 C10 C11 C12 -0.2(5) . .
C9 C10 C11 C12 -180.0(3) . .
C10 C11 C12 C13 1.5(5) . .
C11 C12 C13 C14 -1.0(5) . .
C10 N4 C14 C13 2.2(4) . .
Eu1 N4 C14 C13 -178.4(2) . .
C10 N4 C14 C15 -178.6(3) . .
Eu1 N4 C14 C15 0.9(3) . .
C12 C13 C14 N4 -0.9(5) . .
C12 C13 C14 C15 179.9(3) . .
C17 N3 C15 O2 4.6(4) . .
Eu1 N3 C15 O2 -179.5(2) . .
C17 N3 C15 C14 -174.1(3) . .
Eu1 N3 C15 C14 1.8(4) . .
C16 O2 C15 N3 5.4(4) . .
C16 O2 C15 C14 -175.7(3) . .
N4 C14 C15 N3 -1.7(5) . .
C13 C14 C15 N3 177.5(3) . .
N4 C14 C15 O2 179.5(3) . .
C13 C14 C15 O2 -1.3(5) . .
C15 O2 C16 C17 -12.4(4) . .
C15 N3 C17 C18 -134.5(3) . .
Eu1 N3 C17 C18 50.4(4) . .
C15 N3 C17 C16 -11.9(4) . .
Eu1 N3 C17 C16 173.0(2) . .
O2 C16 C17 N3 14.6(4) . .
O2 C16 C17 C18 137.3(3) . .
N3 C17 C18 C19 -129.1(4) . .
C16 C17 C18 C19 114.6(4) . .
N3 C17 C18 C23 49.6(5) . .
C16 C17 C18 C23 -66.7(4) . .
C23 C18 C19 C20 1.1(7) . .
C17 C18 C19 C20 179.8(5) . .
C18 C19 C20 C21 0.8(10) . .
C19 C20 C21 C22 -3.1(12) . .
C20 C21 C22 C23 3.4(11) . .
C19 C18 C23 C22 -0.8(7) . .
C17 C18 C23 C22 -179.5(4) . .
C21 C22 C23 C18 -1.4(9) . .
C29 C24 C25 C26 0.8(5) . .
C29 C24 C25 C30 178.0(3) . .
C24 C25 C26 C27 0.4(5) . .
C30 C25 C26 C27 -176.9(3) . .
C25 C26 C27 C28 -1.0(6) . .
C26 C27 C28 C29 0.5(6) . .
C27 C28 C29 C24 0.7(5) . .
C27 C28 C29 C34 174.9(3) . .
C25 C24 C29 C28 -1.3(5) . .
C25 C24 C29 C34 -175.7(3) . .
Eu1 O3 C30 C31 -34.1(5) . .
Eu1 O3 C30 C25 147.5(2) . .
C26 C25 C30 O3 0.9(4) . .
C24 C25 C30 O3 -176.3(3) . .
C26 C25 C30 C31 -177.5(3) . .
C24 C25 C30 C31 5.3(5) . .
O3 C30 C31 C32 2.2(5) . .
C25 C30 C31 C32 -179.5(3) . .
Eu1 O4 C32 C31 10.1(6) . .
Eu1 O4 C32 C33 -170.1(3) . .
C30 C31 C32 O4 8.8(6) . .
C30 C31 C32 C33 -170.9(3) . .
O4 C32 C33 F1 66.5(6) . .
C31 C32 C33 F1 -113.7(6) . .
O4 C32 C33 F3 -159.5(5) . .
C31 C32 C33 F3 20.3(7) . .
O4 C32 C33 F2 -48.6(5) . .
C31 C32 C33 F2 131.3(5) . .
Eu2 O11 C34 C35 -44.5(5) . .
Eu2 O11 C34 C29 134.7(2) . .
C28 C29 C34 O11 -152.2(3) . .
C24 C29 C34 O11 22.1(4) . .
C28 C29 C34 C35 27.1(5) . .
C24 C29 C34 C35 -158.7(3) . .
O11 C34 C35 C36 4.7(6) . .
C29 C34 C35 C36 -174.5(3) . .
Eu2 O12 C36 C35 19.6(5) . .
Eu2 O12 C36 C37 -161.5(2) . .
C34 C35 C36 O12 6.6(6) . .
C34 C35 C36 C37 -172.2(3) . .
O12 C36 C37 F12 169.5(3) . .
C35 C36 C37 F12 -11.5(5) . .
O12 C36 C37 F11 -68.6(4) . .
C35 C36 C37 F11 110.4(4) . .
O12 C36 C37 F10 47.2(5) . .
C35 C36 C37 F10 -133.8(4) . .
C43 C38 C39 C40 -0.2(5) . .
C43 C38 C39 C44 -175.0(3) . .
C38 C39 C40 C41 -1.2(5) . .
C44 C39 C40 C41 173.4(3) . .
C39 C40 C41 C42 1.6(6) . .
C40 C41 C42 C43 -0.7(6) . .
C39 C38 C43 C42 1.1(5) . .
C39 C38 C43 C48 179.3(3) . .
C41 C42 C43 C38 -0.7(5) . .
C41 C42 C43 C48 -179.0(3) . .
Eu1 O5 C44 C45 -39.0(4) . .
Eu1 O5 C44 C39 141.0(2) . .
C38 C39 C44 O5 19.3(4) . .
C40 C39 C44 O5 -155.3(3) . .
C38 C39 C44 C45 -160.7(3) . .
C40 C39 C44 C45 24.6(5) . .
O5 C44 C45 C46 0.1(5) . .
C39 C44 C45 C46 -179.9(3) . .
Eu1 O6 C46 C45 24.1(4) . .
Eu1 O6 C46 C47 -158.16(19) . .
C44 C45 C46 O6 5.6(5) . .
C44 C45 C46 C47 -172.2(3) . .
O6 C46 C47 F4 -101.1(3) . .
C45 C46 C47 F4 76.9(3) . .
O6 C46 C47 F6 19.2(4) . .
C45 C46 C47 F6 -162.8(3) . .
O6 C46 C47 F5 138.6(3) . .
C45 C46 C47 F5 -43.4(4) . .
Eu2 O13 C48 C49 -18.7(5) . .
Eu2 O13 C48 C43 162.7(2) . .
C38 C43 C48 O13 -167.7(3) . .
C42 C43 C48 O13 10.5(4) . .
C38 C43 C48 C49 13.8(5) . .
C42 C43 C48 C49 -168.0(3) . .
O13 C48 C49 C50 1.2(6) . .
C43 C48 C49 C50 179.6(3) . .
Eu2 O14 C50 C49 4.3(7) . .
Eu2 O14 C50 C51 -177.7(4) . .
C48 C49 C50 O14 5.5(7) . .
C48 C49 C50 C51 -172.4(4) . .
O14 C50 C51 F15 56.1(7) . .
C49 C50 C51 F15 -125.7(5) . .
O14 C50 C51 F14 -172.4(5) . .
C49 C50 C51 F14 5.9(8) . .
O14 C50 C51 F13 -56.1(6) . .
C49 C50 C51 F13 122.1(5) . .
C53 C52 C53 C54 -0.2(2) 2_656 .
C53 C52 C53 C56 177.2(3) 2_656 .
C52 C53 C54 C55 0.3(4) . .
C56 C53 C54 C55 -177.1(2) . .
C53 C54 C55 C54 -0.2(2) . 2_656
Eu1 O7 C56 C57 13.3(4) . .
Eu1 O7 C56 C53 -168.46(18) . .
C54 C53 C56 O7 14.7(4) . .
C52 C53 C56 O7 -162.7(2) . .
C54 C53 C56 C57 -167.0(3) . .
C52 C53 C56 C57 15.6(4) . .
O7 C56 C57 C58 10.2(5) . .
C53 C56 C57 C58 -168.0(3) . .
Eu1 O8 C58 C57 -23.9(5) . .
Eu1 O8 C58 C59 158.8(2) . .
C56 C57 C58 O8 -3.5(5) . .
C56 C57 C58 C59 173.7(3) . .
O8 C58 C59 F7 -49.0(4) . .
C57 C58 C59 F7 133.2(3) . .
O8 C58 C59 F8 -170.9(3) . .
C57 C58 C59 F8 11.4(4) . .
O8 C58 C59 F9 69.4(3) . .
C57 C58 C59 F9 -108.4(3) . .
C61 C60 C61 C62 -0.6(2) 2_656 .
C61 C60 C61 C64 -179.2(3) 2_656 .
C60 C61 C62 C63 1.2(5) . .
C64 C61 C62 C63 179.9(3) . .
C61 C62 C63 C62 -0.6(2) . 2_656
Eu2 O15 C64 C65 19.4(5) . .
Eu2 O15 C64 C61 -163.1(2) . .
C62 C61 C64 O15 -8.9(4) . .
C60 C61 C64 O15 169.7(2) . .
C62 C61 C64 C65 168.7(3) . .
C60 C61 C64 C65 -12.8(4) . .
O15 C64 C65 C66 -6.1(5) . .
C61 C64 C65 C66 176.6(3) . .
Eu2 O16 C66 C65 5.9(5) . .
Eu2 O16 C66 C67 -173.5(2) . .
C64 C65 C66 O16 -5.9(6) . .
C64 C65 C66 C67 173.4(3) . .
O16 C66 C67 F17 -60.4(4) . .
C65 C66 C67 F17 120.1(4) . .
O16 C66 C67 F18 177.1(3) . .
C65 C66 C67 F18 -2.4(5) . .
O16 C66 C67 F16 58.0(4) . .
C65 C66 C67 F16 -121.5(3) . .
C73 C68 C69 C70 -0.5(9) . .
C74 C68 C69 C70 179.8(6) . .
C68 C69 C70 C71 0.6(12) . .
C69 C70 C71 C72 0.3(16) . .
C70 C71 C72 C73 -1.2(16) . .
C69 C68 C73 C72 -0.4(10) . .
C74 C68 C73 C72 179.3(7) . .
C71 C72 C73 C68 1.3(14) . .
C76 N39 C74 C68 -119.5(4) . .
Eu2 N39 C74 C68 59.2(5) . .
C76 N39 C74 C75 2.4(4) . .
Eu2 N39 C74 C75 -178.9(2) . .
C69 C68 C74 N39 45.9(6) . .
C73 C68 C74 N39 -133.8(4) . .
C69 C68 C74 C75 -69.2(5) . .
C73 C68 C74 C75 111.1(5) . .
C76 O9 C75 C74 1.6(4) . .
N39 C74 C75 O9 -2.4(4) . .
C68 C74 C75 O9 116.9(4) . .
C74 N39 C76 O9 -1.7(4) . .
Eu2 N39 C76 O9 179.5(2) . .
C74 N39 C76 C77 176.0(3) . .
Eu2 N39 C76 C77 -2.9(5) . .
C75 O9 C76 N39 0.0(4) . .
C75 O9 C76 C77 -177.7(3) . .
C81 N2 C77 C78 1.8(5) . .
Eu2 N2 C77 C78 173.2(3) . .
C81 N2 C77 C76 -175.2(3) . .
Eu2 N2 C77 C76 -3.8(4) . .
N39 C76 C77 N2 4.4(5) . .
O9 C76 C77 N2 -177.9(3) . .
N39 C76 C77 C78 -172.6(4) . .
O9 C76 C77 C78 5.1(6) . .
N2 C77 C78 C79 -2.0(7) . .
C76 C77 C78 C79 174.7(4) . .
C77 C78 C79 C80 1.2(8) . .
C78 C79 C80 C81 -0.2(8) . .
C77 N2 C81 C80 -0.7(5) . .
Eu2 N2 C81 C80 -172.1(3) . .
C77 N2 C81 C82 178.3(3) . .
Eu2 N2 C81 C82 6.8(4) . .
C79 C80 C81 N2 -0.1(7) . .
C79 C80 C81 C82 -179.0(4) . .
C84 N1 C82 O10 -3.2(4) . .
Eu2 N1 C82 O10 164.3(2) . .
C84 N1 C82 C81 177.1(3) . .
Eu2 N1 C82 C81 -15.4(4) . .
C83 O10 C82 N1 -3.4(4) . .
C83 O10 C82 C81 176.4(3) . .
N2 C81 C82 N1 5.8(5) . .
C80 C81 C82 N1 -175.3(4) . .
N2 C81 C82 O10 -174.0(3) . .
C80 C81 C82 O10 5.0(5) . .
C82 O10 C83 C84 8.1(4) . .
C82 N1 C84 C85 -113.9(3) . .
Eu2 N1 C84 C85 80.9(3) . .
C82 N1 C84 C83 7.8(3) . .
Eu2 N1 C84 C83 -157.3(2) . .
O10 C83 C84 N1 -9.6(3) . .
O10 C83 C84 C85 109.7(3) . .
N1 C84 C85 C90 -116.6(3) . .
C83 C84 C85 C90 128.9(4) . .
N1 C84 C85 C86 64.2(4) . .
C83 C84 C85 C86 -50.4(5) . .
C90 C85 C86 C87 -2.0(6) . .
C84 C85 C86 C87 177.2(4) . .
C85 C86 C87 C88 1.5(7) . .
C86 C87 C88 C89 -0.2(7) . .
C87 C88 C89 C90 -0.4(7) . .
C86 C85 C90 C89 1.4(5) . .
C84 C85 C90 C89 -177.8(3) . .
C88 C89 C90 C85 -0.2(6) . .
C93 O17 C92 C91 -175.6(5) . .
C92 O17 C93 C94 -167.2(4) . .
C95 O18 C95 C96 -169.4(12) 2_655 .
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 -0.013 0.007 1299 253 ' '
2 0.000 0.487 -0.023 1299 253 ' '
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168335232
