#------------------------------------------------------------------------------
#$Date: 2025-08-20 22:19:29 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/22/4302216.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_4302216
loop_
_publ_author_name
'Sofia M. Bruno'
'Rute A. S. Ferreira'
'Luís D. Carlos'
'Filipe A. Almeida Paz'
'Martyn Pillinger'
'Paulo Ribeiro-Claro'
'Isabel S. Gonçalves'
_publ_contact_author_address
; Department of Chemistry
  University of Aveiro
  CICECO
  3810-193
  Aveiro
  Portugal
;
_publ_contact_author_email       igoncalves@ua.pt
_publ_contact_author_fax         '+351 234 370084'
_publ_contact_author_name        'Professor Isabel Goncalves'
_publ_contact_author_phone       '+351 234 378190'
_publ_section_title
;
Structural and Photoluminescence Studies of a Europium(III)
Tetrakis(β-diketonate) Complex with Tetrabutylammonium, Imidazolium,
Pyridinium and Silica-Supported Imidazolium Counterions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4882
_journal_page_last               4895
_journal_paper_doi               10.1021/ic900274a
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C56 H32 Eu F12 O8, C8 H15 N2'
_chemical_formula_sum            'C64 H47 Eu F12 N2 O8'
_chemical_formula_weight         1352.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '24 September 2007'
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.494(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6037(9)
_cell_length_b                   18.8339(14)
_cell_length_c                   24.5180(16)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.01
_cell_measurement_theta_min      2.29
_cell_volume                     5682.2(7)
_computing_cell_refinement       'APEX2 (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT+ (Bruker, 1997-2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXTL v.6.14 (Sheldrick, 2002)'
_computing_structure_refinement  'SHELXTL v.6.14 (Sheldrick, 2002)'
_computing_structure_solution    'SHELXTL v.6.14 (Sheldrick, 2002)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'omega/phi scans'
_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  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            54559
_diffrn_reflns_theta_full        30.10
_diffrn_reflns_theta_max         30.10
_diffrn_reflns_theta_min         3.57
_exptl_absorpt_coefficient_mu    1.203
_exptl_absorpt_correction_T_max  0.9535
_exptl_absorpt_correction_T_min  0.8309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.527
_refine_diff_density_min         -1.973
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     809
_refine_ls_number_reflns         16249
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0404P)²+4.6619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                11922
_reflns_number_total             16249
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic900274a_si_002_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302216
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
N1 N 0.1252(2) 0.53594(16) 0.26092(12) 0.0330(7) Uani 1 1 d . . .
N2 N 0.2384(3) 0.59084(15) 0.22053(11) 0.0325(7) Uani 1 1 d . . .
C1 C 0.0824(3) 0.4859(2) 0.29618(16) 0.0438(10) Uani 1 1 d . . .
H1A H 0.1307 0.4447 0.3040 0.066 Uiso 1 1 calc R . .
H1B H 0.0098 0.4703 0.2768 0.066 Uiso 1 1 calc R . .
H1C H 0.0778 0.5091 0.3314 0.066 Uiso 1 1 calc R . .
C2 C 0.2280(3) 0.53816(17) 0.25506(13) 0.0271(7) Uani 1 1 d . . .
H2 H 0.2846 0.5071 0.2727 0.032 Uiso 1 1 calc R . .
C3 C 0.1391(4) 0.6228(2) 0.20321(17) 0.0475(11) Uani 1 1 d . . .
H3 H 0.1231 0.6618 0.1782 0.057 Uiso 1 1 calc R . .
C4 C 0.0684(3) 0.5889(2) 0.22820(17) 0.0474(11) Uani 1 1 d . . .
H4 H -0.0066 0.5995 0.2241 0.057 Uiso 1 1 calc R . .
C5 C 0.3402(4) 0.6122(2) 0.20262(16) 0.0436(10) Uani 1 1 d . A .
H5A H 0.3444 0.6646 0.2017 0.052 Uiso 1 1 calc R . .
H5B H 0.3373 0.5943 0.1643 0.052 Uiso 1 1 calc R . .
C6 C 0.4408(3) 0.5836(2) 0.24129(18) 0.0427(9) Uani 1 1 d D . .
H6A H 0.4390 0.5311 0.2390 0.051 Uiso 0.789(13) 1 calc PR A 1
H6B H 0.4379 0.5967 0.2801 0.051 Uiso 0.789(13) 1 calc PR A 1
H6A' H 0.4409 0.5314 0.2464 0.051 Uiso 0.211(13) 1 calc PR A 2
H6B' H 0.4607 0.6085 0.2776 0.051 Uiso 0.211(13) 1 calc PR A 2
C7 C 0.5508(4) 0.6096(2) 0.2298(2) 0.0307(14) Uani 0.789(13) 1 d PD A 1
H7A H 0.5494 0.6620 0.2262 0.037 Uiso 0.789(13) 1 calc PR A 1
H7B H 0.6102 0.5969 0.2619 0.037 Uiso 0.789(13) 1 calc PR A 1
C8 C 0.5736(5) 0.5772(3) 0.1772(3) 0.0354(15) Uani 0.780(13) 1 d PD A 1
H8A H 0.5696 0.5253 0.1795 0.053 Uiso 0.780(13) 1 calc PR A 1
H8B H 0.6464 0.5911 0.1732 0.053 Uiso 0.780(13) 1 calc PR A 1
H8C H 0.5196 0.5941 0.1449 0.053 Uiso 0.780(13) 1 calc PR A 1
C7' C 0.5051(16) 0.6099(10) 0.1961(8) 0.042(6) Uani 0.211(13) 1 d PD A 2
H7'1 H 0.4721 0.5912 0.1586 0.050 Uiso 0.211(13) 1 calc PR A 2
H7'2 H 0.5074 0.6624 0.1946 0.050 Uiso 0.211(13) 1 calc PR A 2
C8' C 0.6162(14) 0.5793(10) 0.2177(12) 0.046(7) Uani 0.220(13) 1 d PD A 2
H8'1 H 0.6455 0.5971 0.2555 0.070 Uiso 0.220(13) 1 calc PR A 2
H8'2 H 0.6642 0.5934 0.1930 0.070 Uiso 0.220(13) 1 calc PR A 2
H8'3 H 0.6114 0.5274 0.2185 0.070 Uiso 0.220(13) 1 calc PR A 2
Eu1 Eu 0.441298(11) 0.334997(7) 0.239968(6) 0.01385(4) Uani 1 1 d . . .
O1 O 0.60368(17) 0.40543(11) 0.26583(8) 0.0218(4) Uani 1 1 d . . .
O2 O 0.41754(15) 0.42244(10) 0.30781(8) 0.0171(4) Uani 1 1 d . . .
O3 O 0.47691(16) 0.39334(11) 0.15920(8) 0.0214(4) Uani 1 1 d . . .
O4 O 0.28014(16) 0.39612(11) 0.19546(8) 0.0192(4) Uani 1 1 d . . .
O5 O 0.31408(16) 0.27910(11) 0.28573(8) 0.0190(4) Uani 1 1 d . . .
O6 O 0.53757(16) 0.28432(11) 0.32546(8) 0.0199(4) Uani 1 1 d . . .
O7 O 0.37210(16) 0.25373(11) 0.16467(8) 0.0197(4) Uani 1 1 d . . .
O8 O 0.58472(16) 0.26487(11) 0.22161(8) 0.0188(4) Uani 1 1 d . . .
F1 F 0.78578(17) 0.47580(14) 0.26417(8) 0.0483(6) Uani 1 1 d . . .
F2 F 0.82446(16) 0.40396(12) 0.33367(10) 0.0456(6) Uani 1 1 d . . .
F3 F 0.79807(15) 0.51389(11) 0.34754(8) 0.0355(5) Uani 1 1 d . . .
F4 F 0.4380(2) 0.49532(13) 0.04205(10) 0.0561(7) Uani 1 1 d . . .
F5 F 0.57585(17) 0.43175(15) 0.08140(9) 0.0511(6) Uani 1 1 d . . .
F6 F 0.44030(18) 0.38357(13) 0.02773(8) 0.0432(6) Uani 1 1 d . . .
F7 F 0.15934(15) 0.19614(11) 0.32726(8) 0.0339(5) Uani 1 1 d . . .
F8 F 0.14157(15) 0.30983(11) 0.33215(8) 0.0331(4) Uani 1 1 d . . .
F9 F 0.21119(15) 0.25016(12) 0.40605(8) 0.0356(5) Uani 1 1 d . . .
F10 F 0.38623(14) 0.19958(11) 0.02934(7) 0.0310(4) Uani 1 1 d . . .
F11 F 0.26057(15) 0.25774(11) 0.05702(8) 0.0352(5) Uani 1 1 d . . .
F12 F 0.29140(15) 0.14815(10) 0.08100(8) 0.0317(5) Uani 1 1 d . . .
C9 C 0.7627(3) 0.46011(18) 0.31329(13) 0.0256(7) Uani 1 1 d . . .
C10 C 0.6419(2) 0.44283(16) 0.30765(12) 0.0183(6) Uani 1 1 d . . .
C11 C 0.5906(2) 0.46819(16) 0.34858(12) 0.0194(6) Uani 1 1 d . . .
H11 H 0.6319 0.4944 0.3790 0.023 Uiso 1 1 calc R . .
C12 C 0.4797(2) 0.45641(15) 0.34661(11) 0.0171(6) Uani 1 1 d . . .
C13 C 0.4287(2) 0.48582(15) 0.39157(11) 0.0167(5) Uani 1 1 d . . .
C14 C 0.4719(2) 0.54478(16) 0.42505(12) 0.0204(6) Uani 1 1 d . . .
H14 H 0.5371 0.5664 0.4200 0.024 Uiso 1 1 calc R . .
C15 C 0.4200(3) 0.57083(16) 0.46469(12) 0.0213(6) Uani 1 1 d . . .
H15 H 0.4492 0.6110 0.4863 0.026 Uiso 1 1 calc R . .
C16 C 0.3241(2) 0.53890(16) 0.47389(11) 0.0203(6) Uani 1 1 d . . .
C17 C 0.2669(3) 0.56522(18) 0.51394(12) 0.0264(7) Uani 1 1 d . . .
H17 H 0.2935 0.6059 0.5356 0.032 Uiso 1 1 calc R . .
C18 C 0.1746(3) 0.5328(2) 0.52151(13) 0.0310(8) Uani 1 1 d . . .
H18 H 0.1371 0.5514 0.5481 0.037 Uiso 1 1 calc R . .
C19 C 0.1341(3) 0.47201(19) 0.49042(13) 0.0293(7) Uani 1 1 d . . .
H19 H 0.0703 0.4495 0.4966 0.035 Uiso 1 1 calc R . .
C20 C 0.1861(3) 0.44507(18) 0.45116(13) 0.0255(7) Uani 1 1 d . . .
H20 H 0.1584 0.4040 0.4304 0.031 Uiso 1 1 calc R . .
C21 C 0.2814(2) 0.47858(16) 0.44156(12) 0.0206(6) Uani 1 1 d . . .
C22 C 0.3354(2) 0.45360(16) 0.40011(12) 0.0200(6) Uani 1 1 d . . .
H22 H 0.3067 0.4139 0.3778 0.024 Uiso 1 1 calc R . .
C23 C 0.4692(3) 0.4335(2) 0.06716(13) 0.0297(7) Uani 1 1 d . . .
C24 C 0.4150(2) 0.41913(16) 0.11680(12) 0.0209(6) Uani 1 1 d . . .
C25 C 0.3059(3) 0.43543(18) 0.10772(12) 0.0247(7) Uani 1 1 d . . .
H25 H 0.2716 0.4555 0.0728 0.030 Uiso 1 1 calc R . .
C26 C 0.2427(2) 0.42367(15) 0.14808(12) 0.0189(6) Uani 1 1 d . . .
C27 C 0.1259(2) 0.44523(16) 0.13558(12) 0.0206(6) Uani 1 1 d . . .
C28 C 0.0852(2) 0.49571(17) 0.09625(12) 0.0225(6) Uani 1 1 d . . .
H28 H 0.1318 0.5161 0.0748 0.027 Uiso 1 1 calc R . .
C29 C -0.0251(2) 0.51828(16) 0.08677(12) 0.0211(6) Uani 1 1 d . . .
C30 C -0.0668(3) 0.57164(18) 0.04793(13) 0.0285(7) Uani 1 1 d . . .
H30 H -0.0214 0.5926 0.0261 0.034 Uiso 1 1 calc R . .
C31 C -0.1719(3) 0.59358(19) 0.04137(14) 0.0328(8) Uani 1 1 d . . .
H31 H -0.1990 0.6300 0.0152 0.039 Uiso 1 1 calc R . .
C32 C -0.2407(3) 0.5625(2) 0.07326(14) 0.0335(8) Uani 1 1 d . . .
H32 H -0.3139 0.5779 0.0682 0.040 Uiso 1 1 calc R . .
C33 C -0.2026(3) 0.51038(19) 0.11126(14) 0.0297(7) Uani 1 1 d . . .
H33 H -0.2494 0.4900 0.1326 0.036 Uiso 1 1 calc R . .
C34 C -0.0936(2) 0.48647(17) 0.11908(12) 0.0231(6) Uani 1 1 d . . .
C35 C -0.0512(3) 0.43332(17) 0.15844(13) 0.0241(6) Uani 1 1 d . . .
H35 H -0.0973 0.4112 0.1793 0.029 Uiso 1 1 calc R . .
C36 C 0.0561(2) 0.41328(16) 0.16687(12) 0.0212(6) Uani 1 1 d . . .
H36 H 0.0836 0.3778 0.1938 0.025 Uiso 1 1 calc R . .
C37 C 0.2084(2) 0.25524(17) 0.35131(12) 0.0230(6) Uani 1 1 d . . .
C38 C 0.3203(2) 0.26578(15) 0.33716(12) 0.0177(6) Uani 1 1 d . . .
C39 C 0.4102(2) 0.25919(16) 0.38040(12) 0.0204(6) Uani 1 1 d . . .
H39 H 0.4001 0.2505 0.4171 0.024 Uiso 1 1 calc R . .
C40 C 0.5179(2) 0.26510(15) 0.37144(12) 0.0180(6) Uani 1 1 d . . .
C41 C 0.6140(2) 0.24753(17) 0.41713(12) 0.0210(6) Uani 1 1 d . . .
C42 C 0.6036(3) 0.2136(2) 0.46766(13) 0.0312(8) Uani 1 1 d . . .
H42 H 0.5336 0.2023 0.4737 0.037 Uiso 1 1 calc R . .
C43 C 0.6941(3) 0.1973(2) 0.50737(14) 0.0339(8) Uani 1 1 d . . .
H43 H 0.6862 0.1742 0.5407 0.041 Uiso 1 1 calc R . .
C44 C 0.7999(3) 0.21417(17) 0.50000(12) 0.0229(6) Uani 1 1 d . . .
C45 C 0.8950(3) 0.19808(19) 0.54106(13) 0.0275(7) Uani 1 1 d . . .
H45 H 0.8888 0.1737 0.5741 0.033 Uiso 1 1 calc R . .
C46 C 0.9956(3) 0.21744(18) 0.53336(13) 0.0279(7) Uani 1 1 d . . .
H46 H 1.0586 0.2067 0.5612 0.034 Uiso 1 1 calc R . .
C47 C 1.0059(3) 0.25309(19) 0.48440(14) 0.0296(7) Uani 1 1 d . . .
H47 H 1.0759 0.2669 0.4796 0.036 Uiso 1 1 calc R . .
C48 C 0.9165(2) 0.26810(18) 0.44365(13) 0.0257(7) Uani 1 1 d . . .
H48 H 0.9249 0.2913 0.4105 0.031 Uiso 1 1 calc R . .
C49 C 0.8109(2) 0.24934(16) 0.45037(12) 0.0193(6) Uani 1 1 d . . .
C50 C 0.7157(2) 0.26431(16) 0.40924(12) 0.0185(6) Uani 1 1 d . . .
H50 H 0.7225 0.2865 0.3754 0.022 Uiso 1 1 calc R . .
C51 C 0.3396(2) 0.20978(17) 0.07318(12) 0.0222(6) Uani 1 1 d . . .
C52 C 0.4194(2) 0.23298(15) 0.12680(11) 0.0162(5) Uani 1 1 d . . .
C53 C 0.5293(2) 0.22822(16) 0.12780(12) 0.0183(6) Uani 1 1 d . . .
H53 H 0.5522 0.2143 0.0949 0.022 Uiso 1 1 calc R . .
C54 C 0.6086(2) 0.24381(15) 0.17702(12) 0.0163(5) Uani 1 1 d . . .
C55 C 0.7268(2) 0.23617(15) 0.17857(11) 0.0163(5) Uani 1 1 d . . .
C56 C 0.7682(2) 0.19081(15) 0.14396(12) 0.0168(5) Uani 1 1 d . . .
H56 H 0.7196 0.1634 0.1170 0.020 Uiso 1 1 calc R . .
C57 C 0.8816(2) 0.18436(15) 0.14787(12) 0.0171(6) Uani 1 1 d . . .
C58 C 0.9253(2) 0.13757(17) 0.11309(12) 0.0206(6) Uani 1 1 d . . .
H58 H 0.8779 0.1093 0.0863 0.025 Uiso 1 1 calc R . .
C59 C 1.0357(2) 0.13289(17) 0.11799(13) 0.0243(6) Uani 1 1 d . . .
H59 H 1.0643 0.1013 0.0946 0.029 Uiso 1 1 calc R . .
C60 C 1.1070(2) 0.17474(17) 0.15751(13) 0.0232(6) Uani 1 1 d . . .
H60 H 1.1833 0.1712 0.1604 0.028 Uiso 1 1 calc R . .
C61 C 1.0674(2) 0.22024(16) 0.19154(12) 0.0206(6) Uani 1 1 d . . .
H61 H 1.1164 0.2480 0.2181 0.025 Uiso 1 1 calc R . .
C62 C 0.9533(2) 0.22657(15) 0.18772(12) 0.0173(6) Uani 1 1 d . . .
C63 C 0.9093(2) 0.27271(16) 0.22291(12) 0.0199(6) Uani 1 1 d . . .
H63 H 0.9569 0.3007 0.2499 0.024 Uiso 1 1 calc R . .
C64 C 0.7998(2) 0.27751(15) 0.21864(11) 0.0179(6) Uani 1 1 d . . .
H64 H 0.7720 0.3087 0.2426 0.021 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
C2 N1 C4 108.0(3) . . ?
C2 N1 C1 125.2(3) . . ?
C4 N1 C1 126.9(3) . . ?
C2 N2 C3 108.5(3) . . ?
C2 N2 C5 126.5(3) . . ?
C3 N2 C5 125.0(3) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N2 C2 N1 108.9(3) . . ?
N2 C2 H2 125.6 . . ?
N1 C2 H2 125.6 . . ?
C4 C3 N2 107.4(4) . . ?
C4 C3 H3 126.3 . . ?
N2 C3 H3 126.3 . . ?
C3 C4 N1 107.3(4) . . ?
C3 C4 H4 126.4 . . ?
N1 C4 H4 126.4 . . ?
N2 C5 C6 112.1(3) . . ?
N2 C5 H5A 109.2 . . ?
C6 C5 H5A 109.2 . . ?
N2 C5 H5B 109.2 . . ?
C6 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
C5 C6 C7 115.8(4) . . ?
C5 C6 C7' 86.4(8) . . ?
C5 C6 H6A 108.3 . . ?
C7 C6 H6A 108.3 . . ?
C7' C6 H6A 106.3 . . ?
C5 C6 H6B 108.3 . . ?
C7 C6 H6B 108.3 . . ?
C7' C6 H6B 136.2 . . ?
H6A C6 H6B 107.4 . . ?
C5 C6 H6A' 114.3 . . ?
C7 C6 H6A' 111.0 . . ?
C7' C6 H6A' 114.3 . . ?
H6B C6 H6A' 97.2 . . ?
C5 C6 H6B' 114.3 . . ?
C7 C6 H6B' 87.2 . . ?
C7' C6 H6B' 114.3 . . ?
H6A C6 H6B' 121.6 . . ?
H6A' C6 H6B' 111.4 . . ?
C8 C7 C6 111.7(4) . . ?
C8 C7 H7A 109.3 . . ?
C6 C7 H7A 109.3 . . ?
C8 C7 H7B 109.3 . . ?
C6 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
C8' C7' C6 102.3(12) . . ?
C8' C7' H7'1 111.3 . . ?
C6 C7' H7'1 111.3 . . ?
C8' C7' H7'2 111.3 . . ?
C6 C7' H7'2 111.3 . . ?
H7'1 C7' H7'2 109.2 . . ?
C7' C8' H8'1 109.5 . . ?
C7' C8' H8'2 109.5 . . ?
H8'1 C8' H8'2 109.5 . . ?
C7' C8' H8'3 109.5 . . ?
H8'1 C8' H8'3 109.5 . . ?
H8'2 C8' H8'3 109.5 . . ?
O8 Eu1 O6 71.23(7) . . ?
O8 Eu1 O4 142.66(6) . . ?
O6 Eu1 O4 144.84(6) . . ?
O8 Eu1 O3 79.07(7) . . ?
O6 Eu1 O3 139.62(7) . . ?
O4 Eu1 O3 72.12(7) . . ?
O8 Eu1 O5 117.54(7) . . ?
O6 Eu1 O5 71.12(7) . . ?
O4 Eu1 O5 80.56(7) . . ?
O3 Eu1 O5 148.90(7) . . ?
O8 Eu1 O2 136.93(7) . . ?
O6 Eu1 O2 77.39(7) . . ?
O4 Eu1 O2 76.39(7) . . ?
O3 Eu1 O2 109.39(7) . . ?
O5 Eu1 O2 77.32(7) . . ?
O8 Eu1 O1 73.49(7) . . ?
O6 Eu1 O1 75.33(7) . . ?
O4 Eu1 O1 116.51(7) . . ?
O3 Eu1 O1 70.33(7) . . ?
O5 Eu1 O1 137.54(7) . . ?
O2 Eu1 O1 70.51(7) . . ?
O8 Eu1 O7 70.35(7) . . ?
O6 Eu1 O7 116.77(7) . . ?
O4 Eu1 O7 79.91(7) . . ?
O3 Eu1 O7 76.06(7) . . ?
O5 Eu1 O7 84.93(7) . . ?
O2 Eu1 O7 152.32(7) . . ?
O1 Eu1 O7 134.26(6) . . ?
C10 O1 Eu1 132.92(18) . . ?
C12 O2 Eu1 135.68(18) . . ?
C24 O3 Eu1 132.04(18) . . ?
C26 O4 Eu1 136.83(18) . . ?
C38 O5 Eu1 130.42(18) . . ?
C40 O6 Eu1 137.86(18) . . ?
C52 O7 Eu1 127.34(18) . . ?
C54 O8 Eu1 132.76(18) . . ?
F3 C9 F1 107.1(3) . . ?
F3 C9 F2 106.1(3) . . ?
F1 C9 F2 106.8(3) . . ?
F3 C9 C10 114.1(3) . . ?
F1 C9 C10 111.8(3) . . ?
F2 C9 C10 110.5(3) . . ?
O1 C10 C11 128.9(3) . . ?
O1 C10 C9 113.1(2) . . ?
C11 C10 C9 118.0(3) . . ?
C10 C11 C12 122.4(3) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
O2 C12 C11 123.7(2) . . ?
O2 C12 C13 116.4(2) . . ?
C11 C12 C13 119.9(3) . . ?
C22 C13 C14 119.3(3) . . ?
C22 C13 C12 117.7(3) . . ?
C14 C13 C12 122.9(3) . . ?
C15 C14 C13 120.5(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 121.0(3) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C15 C16 C21 119.0(3) . . ?
C15 C16 C17 122.7(3) . . ?
C21 C16 C17 118.3(3) . . ?
C18 C17 C16 120.8(3) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.7(3) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C20 C19 C18 120.5(3) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 120.1(3) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 121.6(3) . . ?
C22 C21 C16 118.8(3) . . ?
C20 C21 C16 119.6(3) . . ?
C13 C22 C21 121.3(3) . . ?
C13 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
F5 C23 F4 109.0(3) . . ?
F5 C23 F6 106.1(3) . . ?
F4 C23 F6 105.8(3) . . ?
F5 C23 C24 112.8(3) . . ?
F4 C23 C24 112.3(3) . . ?
F6 C23 C24 110.4(3) . . ?
O3 C24 C25 129.8(3) . . ?
O3 C24 C23 114.8(3) . . ?
C25 C24 C23 115.4(3) . . ?
C24 C25 C26 123.0(3) . . ?
C24 C25 H25 118.5 . . ?
C26 C25 H25 118.5 . . ?
O4 C26 C25 123.4(3) . . ?
O4 C26 C27 117.1(2) . . ?
C25 C26 C27 119.5(3) . . ?
C28 C27 C36 119.4(3) . . ?
C28 C27 C26 122.3(3) . . ?
C36 C27 C26 118.2(3) . . ?
C27 C28 C29 121.7(3) . . ?
C27 C28 H28 119.2 . . ?
C29 C28 H28 119.2 . . ?
C30 C29 C28 122.2(3) . . ?
C30 C29 C34 119.6(3) . . ?
C28 C29 C34 118.1(3) . . ?
C31 C30 C29 120.5(3) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C33 C32 C31 120.5(3) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C32 C33 C34 120.5(3) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C35 C34 C33 122.0(3) . . ?
C35 C34 C29 119.5(3) . . ?
C33 C34 C29 118.5(3) . . ?
C36 C35 C34 120.8(3) . . ?
C36 C35 H35 119.6 . . ?
C34 C35 H35 119.6 . . ?
C35 C36 C27 120.4(3) . . ?
C35 C36 H36 119.8 . . ?
C27 C36 H36 119.8 . . ?
F9 C37 F7 106.9(2) . . ?
F9 C37 F8 106.4(2) . . ?
F7 C37 F8 106.6(2) . . ?
F9 C37 C38 114.2(2) . . ?
F7 C37 C38 111.4(2) . . ?
F8 C37 C38 111.0(2) . . ?
O5 C38 C39 130.1(3) . . ?
O5 C38 C37 112.7(2) . . ?
C39 C38 C37 117.2(2) . . ?
C38 C39 C40 121.7(3) . . ?
C38 C39 H39 119.1 . . ?
C40 C39 H39 119.1 . . ?
O6 C40 C39 122.7(3) . . ?
O6 C40 C41 116.7(2) . . ?
C39 C40 C41 120.7(2) . . ?
C50 C41 C42 119.3(3) . . ?
C50 C41 C40 118.2(3) . . ?
C42 C41 C40 122.5(3) . . ?
C43 C42 C41 120.0(3) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 121.5(3) . . ?
C42 C43 H43 119.3 . . ?
C44 C43 H43 119.3 . . ?
C49 C44 C43 118.9(3) . . ?
C49 C44 C45 118.9(3) . . ?
C43 C44 C45 122.2(3) . . ?
C46 C45 C44 120.6(3) . . ?
C46 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
C45 C46 C47 120.3(3) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C48 C47 C46 120.6(3) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C47 C48 C49 120.7(3) . . ?
C47 C48 H48 119.7 . . ?
C49 C48 H48 119.7 . . ?
C44 C49 C50 118.6(3) . . ?
C44 C49 C48 118.9(3) . . ?
C50 C49 C48 122.5(3) . . ?
C41 C50 C49 121.7(3) . . ?
C41 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
F11 C51 F12 107.1(2) . . ?
F11 C51 F10 106.6(2) . . ?
F12 C51 F10 106.3(2) . . ?
F11 C51 C52 111.6(2) . . ?
F12 C51 C52 110.9(2) . . ?
F10 C51 C52 114.0(2) . . ?
O7 C52 C53 129.4(3) . . ?
O7 C52 C51 113.0(2) . . ?
C53 C52 C51 117.7(2) . . ?
C52 C53 C54 121.3(2) . . ?
C52 C53 H53 119.4 . . ?
C54 C53 H53 119.4 . . ?
O8 C54 C53 123.1(3) . . ?
O8 C54 C55 115.7(2) . . ?
C53 C54 C55 121.2(2) . . ?
C56 C55 C64 119.2(3) . . ?
C56 C55 C54 123.5(3) . . ?
C64 C55 C54 117.3(2) . . ?
C55 C56 C57 121.4(3) . . ?
C55 C56 H56 119.3 . . ?
C57 C56 H56 119.3 . . ?
C56 C57 C58 122.0(3) . . ?
C56 C57 C62 118.7(2) . . ?
C58 C57 C62 119.3(3) . . ?
C59 C58 C57 120.3(3) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C58 C59 C60 120.5(3) . . ?
C58 C59 H59 119.8 . . ?
C60 C59 H59 119.8 . . ?
C61 C60 C59 120.5(3) . . ?
C61 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C60 C61 C62 120.6(3) . . ?
C60 C61 H61 119.7 . . ?
C62 C61 H61 119.7 . . ?
C63 C62 C57 119.1(2) . . ?
C63 C62 C61 122.2(3) . . ?
C57 C62 C61 118.7(3) . . ?
C64 C63 C62 121.0(3) . . ?
C64 C63 H63 119.5 . . ?
C62 C63 H63 119.5 . . ?
C63 C64 C55 120.6(3) . . ?
C63 C64 H64 119.7 . . ?
C55 C64 H64 119.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 C2 1.335(4) . ?
N1 C4 1.380(5) . ?
N1 C1 1.459(5) . ?
N2 C2 1.329(4) . ?
N2 C3 1.371(5) . ?
N2 C5 1.498(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2 0.9500 . ?
C3 C4 1.347(6) . ?
C3 H3 0.9500 . ?
C4 H4 0.9500 . ?
C5 C6 1.509(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.554(6) . ?
C6 C7' 1.586(12) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 H6A' 0.9900 . ?
C6 H6B' 0.9900 . ?
C7 C8 1.509(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C7' C8' 1.501(13) . ?
C7' H7'1 0.9900 . ?
C7' H7'2 0.9900 . ?
C8' H8'1 0.9800 . ?
C8' H8'2 0.9800 . ?
C8' H8'3 0.9800 . ?
Eu1 O8 2.3594(19) . ?
Eu1 O6 2.383(2) . ?
Eu1 O4 2.384(2) . ?
Eu1 O3 2.391(2) . ?
Eu1 O5 2.3909(19) . ?
Eu1 O2 2.4050(18) . ?
Eu1 O1 2.406(2) . ?
Eu1 O7 2.411(2) . ?
O1 C10 1.251(3) . ?
O2 C12 1.267(3) . ?
O3 C24 1.255(4) . ?
O4 C26 1.267(3) . ?
O5 C38 1.271(3) . ?
O6 C40 1.259(3) . ?
O7 C52 1.268(3) . ?
O8 C54 1.259(3) . ?
F1 C9 1.332(4) . ?
F2 C9 1.344(4) . ?
F3 C9 1.330(4) . ?
F4 C23 1.336(4) . ?
F5 C23 1.314(4) . ?
F6 C23 1.341(4) . ?
F7 C37 1.346(4) . ?
F8 C37 1.348(4) . ?
F9 C37 1.338(3) . ?
F10 C51 1.346(3) . ?
F11 C51 1.340(3) . ?
F12 C51 1.343(4) . ?
C9 C10 1.534(4) . ?
C10 C11 1.391(4) . ?
C11 C12 1.405(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.498(4) . ?
C13 C22 1.378(4) . ?
C13 C14 1.418(4) . ?
C14 C15 1.374(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.412(4) . ?
C15 H15 0.9500 . ?
C16 C21 1.422(4) . ?
C16 C17 1.427(4) . ?
C17 C18 1.362(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.408(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.374(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.421(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.420(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.543(4) . ?
C24 C25 1.379(4) . ?
C25 C26 1.416(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.493(4) . ?
C27 C28 1.372(4) . ?
C27 C36 1.421(4) . ?
C28 C29 1.424(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.406(4) . ?
C29 C34 1.424(4) . ?
C30 C31 1.363(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.414(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.366(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.419(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.413(4) . ?
C35 C36 1.375(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.537(4) . ?
C38 C39 1.380(4) . ?
C39 C40 1.425(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.498(4) . ?
C41 C50 1.374(4) . ?
C41 C42 1.425(4) . ?
C42 C43 1.365(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.420(4) . ?
C43 H43 0.9500 . ?
C44 C49 1.418(4) . ?
C44 C45 1.421(4) . ?
C45 C46 1.371(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.406(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.364(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.420(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.419(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.535(4) . ?
C52 C53 1.383(4) . ?
C53 C54 1.421(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.489(4) . ?
C55 C56 1.383(4) . ?
C55 C64 1.423(4) . ?
C56 C57 1.416(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.418(4) . ?
C57 C62 1.422(4) . ?
C58 C59 1.374(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.411(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.364(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.426(4) . ?
C61 H61 0.9500 . ?
C62 C63 1.419(4) . ?
C63 C64 1.365(4) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 N2 C2 N1 -0.7(4) . . . . ?
C5 N2 C2 N1 179.8(3) . . . . ?
C4 N1 C2 N2 0.7(4) . . . . ?
C1 N1 C2 N2 -179.1(3) . . . . ?
C2 N2 C3 C4 0.4(4) . . . . ?
C5 N2 C3 C4 180.0(3) . . . . ?
N2 C3 C4 N1 0.0(4) . . . . ?
C2 N1 C4 C3 -0.4(4) . . . . ?
C1 N1 C4 C3 179.4(3) . . . . ?
C2 N2 C5 C6 -18.5(5) . . . . ?
C3 N2 C5 C6 162.1(3) . . . . ?
N2 C5 C6 C7 -173.6(3) . . . . ?
N2 C5 C6 C7' 170.4(8) . . . . ?
C5 C6 C7 C8 -71.6(5) . . . . ?
C7' C6 C7 C8 -41.6(12) . . . . ?
C5 C6 C7' C8' -171.8(15) . . . . ?
C7 C6 C7' C8' 35.0(11) . . . . ?
O8 Eu1 O1 C10 -134.3(3) . . . . ?
O6 Eu1 O1 C10 -59.9(3) . . . . ?
O4 Eu1 O1 C10 84.6(3) . . . . ?
O3 Eu1 O1 C10 141.7(3) . . . . ?
O5 Eu1 O1 C10 -21.3(3) . . . . ?
O2 Eu1 O1 C10 21.7(3) . . . . ?
O7 Eu1 O1 C10 -173.1(2) . . . . ?
O8 Eu1 O2 C12 8.6(3) . . . . ?
O6 Eu1 O2 C12 52.3(3) . . . . ?
O4 Eu1 O2 C12 -151.3(3) . . . . ?
O3 Eu1 O2 C12 -86.1(3) . . . . ?
O5 Eu1 O2 C12 125.5(3) . . . . ?
O1 Eu1 O2 C12 -26.3(2) . . . . ?
O7 Eu1 O2 C12 176.9(2) . . . . ?
O8 Eu1 O3 C24 139.0(3) . . . . ?
O6 Eu1 O3 C24 -178.1(2) . . . . ?
O4 Eu1 O3 C24 -16.9(3) . . . . ?
O5 Eu1 O3 C24 12.8(3) . . . . ?
O2 Eu1 O3 C24 -84.9(3) . . . . ?
O1 Eu1 O3 C24 -144.8(3) . . . . ?
O7 Eu1 O3 C24 66.8(3) . . . . ?
O8 Eu1 O4 C26 -24.8(3) . . . . ?
O6 Eu1 O4 C26 175.2(2) . . . . ?
O3 Eu1 O4 C26 16.4(3) . . . . ?
O5 Eu1 O4 C26 -148.5(3) . . . . ?
O2 Eu1 O4 C26 132.3(3) . . . . ?
O1 Eu1 O4 C26 72.6(3) . . . . ?
O7 Eu1 O4 C26 -62.1(3) . . . . ?
O8 Eu1 O5 C38 80.9(2) . . . . ?
O6 Eu1 O5 C38 25.1(2) . . . . ?
O4 Eu1 O5 C38 -133.8(2) . . . . ?
O3 Eu1 O5 C38 -162.3(2) . . . . ?
O2 Eu1 O5 C38 -55.7(2) . . . . ?
O1 Eu1 O5 C38 -14.5(3) . . . . ?
O7 Eu1 O5 C38 145.6(2) . . . . ?
O8 Eu1 O6 C40 -151.1(3) . . . . ?
O4 Eu1 O6 C40 16.3(3) . . . . ?
O3 Eu1 O6 C40 164.0(3) . . . . ?
O5 Eu1 O6 C40 -21.9(3) . . . . ?
O2 Eu1 O6 C40 58.8(3) . . . . ?
O1 Eu1 O6 C40 131.7(3) . . . . ?
O7 Eu1 O6 C40 -95.8(3) . . . . ?
O8 Eu1 O7 C52 -35.6(2) . . . . ?
O6 Eu1 O7 C52 -91.4(2) . . . . ?
O4 Eu1 O7 C52 121.5(2) . . . . ?
O3 Eu1 O7 C52 47.6(2) . . . . ?
O5 Eu1 O7 C52 -157.3(2) . . . . ?
O2 Eu1 O7 C52 152.8(2) . . . . ?
O1 Eu1 O7 C52 4.1(3) . . . . ?
O6 Eu1 O8 C54 169.8(3) . . . . ?
O4 Eu1 O8 C54 1.8(3) . . . . ?
O3 Eu1 O8 C54 -37.9(2) . . . . ?
O5 Eu1 O8 C54 114.1(2) . . . . ?
O2 Eu1 O8 C54 -144.7(2) . . . . ?
O1 Eu1 O8 C54 -110.4(3) . . . . ?
O7 Eu1 O8 C54 41.0(2) . . . . ?
Eu1 O1 C10 C11 -15.2(5) . . . . ?
Eu1 O1 C10 C9 163.2(2) . . . . ?
F3 C9 C10 O1 163.0(3) . . . . ?
F1 C9 C10 O1 41.3(4) . . . . ?
F2 C9 C10 O1 -77.5(3) . . . . ?
F3 C9 C10 C11 -18.3(4) . . . . ?
F1 C9 C10 C11 -140.0(3) . . . . ?
F2 C9 C10 C11 101.1(3) . . . . ?
O1 C10 C11 C12 -2.9(5) . . . . ?
C9 C10 C11 C12 178.7(3) . . . . ?
Eu1 O2 C12 C11 22.6(4) . . . . ?
Eu1 O2 C12 C13 -158.38(18) . . . . ?
C10 C11 C12 O2 -0.3(5) . . . . ?
C10 C11 C12 C13 -179.3(3) . . . . ?
O2 C12 C13 C22 24.0(4) . . . . ?
C11 C12 C13 C22 -157.0(3) . . . . ?
O2 C12 C13 C14 -155.8(3) . . . . ?
C11 C12 C13 C14 23.2(4) . . . . ?
C22 C13 C14 C15 -1.6(4) . . . . ?
C12 C13 C14 C15 178.2(3) . . . . ?
C13 C14 C15 C16 1.3(4) . . . . ?
C14 C15 C16 C21 0.3(4) . . . . ?
C14 C15 C16 C17 -178.8(3) . . . . ?
C15 C16 C17 C18 -180.0(3) . . . . ?
C21 C16 C17 C18 0.9(5) . . . . ?
C16 C17 C18 C19 0.7(5) . . . . ?
C17 C18 C19 C20 -1.1(5) . . . . ?
C18 C19 C20 C21 -0.1(5) . . . . ?
C19 C20 C21 C22 -178.0(3) . . . . ?
C19 C20 C21 C16 1.7(5) . . . . ?
C15 C16 C21 C22 -1.6(4) . . . . ?
C17 C16 C21 C22 177.6(3) . . . . ?
C15 C16 C21 C20 178.8(3) . . . . ?
C17 C16 C21 C20 -2.1(4) . . . . ?
C14 C13 C22 C21 0.4(4) . . . . ?
C12 C13 C22 C21 -179.4(3) . . . . ?
C20 C21 C22 C13 -179.1(3) . . . . ?
C16 C21 C22 C13 1.2(4) . . . . ?
Eu1 O3 C24 C25 15.0(5) . . . . ?
Eu1 O3 C24 C23 -163.8(2) . . . . ?
F5 C23 C24 O3 -14.7(4) . . . . ?
F4 C23 C24 O3 -138.4(3) . . . . ?
F6 C23 C24 O3 103.8(3) . . . . ?
F5 C23 C24 C25 166.3(3) . . . . ?
F4 C23 C24 C25 42.6(4) . . . . ?
F6 C23 C24 C25 -75.2(4) . . . . ?
O3 C24 C25 C26 -0.8(6) . . . . ?
C23 C24 C25 C26 178.0(3) . . . . ?
Eu1 O4 C26 C25 -12.0(5) . . . . ?
Eu1 O4 C26 C27 168.90(19) . . . . ?
C24 C25 C26 O4 -1.3(5) . . . . ?
C24 C25 C26 C27 177.8(3) . . . . ?
O4 C26 C27 C28 157.2(3) . . . . ?
C25 C26 C27 C28 -22.0(4) . . . . ?
O4 C26 C27 C36 -21.1(4) . . . . ?
C25 C26 C27 C36 159.7(3) . . . . ?
C36 C27 C28 C29 1.5(5) . . . . ?
C26 C27 C28 C29 -176.8(3) . . . . ?
C27 C28 C29 C30 177.8(3) . . . . ?
C27 C28 C29 C34 -0.5(4) . . . . ?
C28 C29 C30 C31 -177.7(3) . . . . ?
C34 C29 C30 C31 0.6(5) . . . . ?
C29 C30 C31 C32 -0.6(5) . . . . ?
C30 C31 C32 C33 0.4(5) . . . . ?
C31 C32 C33 C34 -0.4(5) . . . . ?
C32 C33 C34 C35 179.3(3) . . . . ?
C32 C33 C34 C29 0.4(5) . . . . ?
C30 C29 C34 C35 -179.4(3) . . . . ?
C28 C29 C34 C35 -1.0(4) . . . . ?
C30 C29 C34 C33 -0.5(4) . . . . ?
C28 C29 C34 C33 177.9(3) . . . . ?
C33 C34 C35 C36 -177.2(3) . . . . ?
C29 C34 C35 C36 1.7(5) . . . . ?
C34 C35 C36 C27 -0.7(5) . . . . ?
C28 C27 C36 C35 -0.9(5) . . . . ?
C26 C27 C36 C35 177.5(3) . . . . ?
Eu1 O5 C38 C39 -21.9(5) . . . . ?
Eu1 O5 C38 C37 158.61(19) . . . . ?
F9 C37 C38 O5 -171.9(3) . . . . ?
F7 C37 C38 O5 66.9(3) . . . . ?
F8 C37 C38 O5 -51.6(3) . . . . ?
F9 C37 C38 C39 8.6(4) . . . . ?
F7 C37 C38 C39 -112.6(3) . . . . ?
F8 C37 C38 C39 128.8(3) . . . . ?
O5 C38 C39 C40 -2.0(5) . . . . ?
C37 C38 C39 C40 177.4(3) . . . . ?
Eu1 O6 C40 C39 11.5(5) . . . . ?
Eu1 O6 C40 C41 -169.2(2) . . . . ?
C38 C39 C40 O6 8.1(5) . . . . ?
C38 C39 C40 C41 -171.2(3) . . . . ?
O6 C40 C41 C50 10.4(4) . . . . ?
C39 C40 C41 C50 -170.3(3) . . . . ?
O6 C40 C41 C42 -168.9(3) . . . . ?
C39 C40 C41 C42 10.5(5) . . . . ?
C50 C41 C42 C43 -0.8(5) . . . . ?
C40 C41 C42 C43 178.5(3) . . . . ?
C41 C42 C43 C44 0.8(6) . . . . ?
C42 C43 C44 C49 0.6(5) . . . . ?
C42 C43 C44 C45 179.5(3) . . . . ?
C49 C44 C45 C46 1.2(5) . . . . ?
C43 C44 C45 C46 -177.7(3) . . . . ?
C44 C45 C46 C47 -0.5(5) . . . . ?
C45 C46 C47 C48 -0.8(5) . . . . ?
C46 C47 C48 C49 1.3(5) . . . . ?
C43 C44 C49 C50 -1.9(5) . . . . ?
C45 C44 C49 C50 179.1(3) . . . . ?
C43 C44 C49 C48 178.2(3) . . . . ?
C45 C44 C49 C48 -0.8(5) . . . . ?
C47 C48 C49 C44 -0.5(5) . . . . ?
C47 C48 C49 C50 179.6(3) . . . . ?
C42 C41 C50 C49 -0.6(5) . . . . ?
C40 C41 C50 C49 -179.9(3) . . . . ?
C44 C49 C50 C41 2.0(4) . . . . ?
C48 C49 C50 C41 -178.2(3) . . . . ?
Eu1 O7 C52 C53 26.1(4) . . . . ?
Eu1 O7 C52 C51 -154.51(19) . . . . ?
F11 C51 C52 O7 48.0(3) . . . . ?
F12 C51 C52 O7 -71.3(3) . . . . ?
F10 C51 C52 O7 168.9(3) . . . . ?
F11 C51 C52 C53 -132.5(3) . . . . ?
F12 C51 C52 C53 108.2(3) . . . . ?
F10 C51 C52 C53 -11.6(4) . . . . ?
O7 C52 C53 C54 3.9(5) . . . . ?
C51 C52 C53 C54 -175.5(3) . . . . ?
Eu1 O8 C54 C53 -32.3(4) . . . . ?
Eu1 O8 C54 C55 147.5(2) . . . . ?
C52 C53 C54 O8 -2.4(5) . . . . ?
C52 C53 C54 C55 177.8(3) . . . . ?
O8 C54 C55 C56 154.9(3) . . . . ?
C53 C54 C55 C56 -25.3(4) . . . . ?
O8 C54 C55 C64 -24.2(4) . . . . ?
C53 C54 C55 C64 155.6(3) . . . . ?
C64 C55 C56 C57 0.4(4) . . . . ?
C54 C55 C56 C57 -178.7(3) . . . . ?
C55 C56 C57 C58 179.3(3) . . . . ?
C55 C56 C57 C62 -1.1(4) . . . . ?
C56 C57 C58 C59 179.8(3) . . . . ?
C62 C57 C58 C59 0.2(4) . . . . ?
C57 C58 C59 C60 -0.2(5) . . . . ?
C58 C59 C60 C61 0.2(5) . . . . ?
C59 C60 C61 C62 -0.2(5) . . . . ?
C56 C57 C62 C63 1.1(4) . . . . ?
C58 C57 C62 C63 -179.2(3) . . . . ?
C56 C57 C62 C61 -179.8(3) . . . . ?
C58 C57 C62 C61 -0.2(4) . . . . ?
C60 C61 C62 C63 179.2(3) . . . . ?
C60 C61 C62 C57 0.2(4) . . . . ?
C57 C62 C63 C64 -0.6(4) . . . . ?
C61 C62 C63 C64 -179.6(3) . . . . ?
C62 C63 C64 C55 0.0(4) . . . . ?
C56 C55 C64 C63 0.1(4) . . . . ?
C54 C55 C64 C63 179.3(3) . . . . ?
loop_
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1 PubChem 139126728
