#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:25:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179140 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/01/4310130.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_4310130
loop_
_publ_author_name
'Sven-Oliver Hauber'
'Mark Niemeyer'
_publ_contact_author_address
;
Institut für Anorganische Chemie
Universität Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart
Germany
;
_publ_contact_author_email       niemeyer@iac.uni-stuttgart.de
_publ_contact_author_name        'Mark Niemeyer'
_publ_section_title
;
Stabilization of Unsolvated Europium and Ytterbium Pentafluorophenyls by
π-Bonding Encapsulation through a Sterically Crowded Triazenido Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8644
_journal_page_last               8646
_journal_paper_doi               10.1021/ic0514602
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C51 H52 Eu F5 N3'
_chemical_formula_weight         953.92
_chemical_melting_point          '80-120deg.C (dec.)'
_chemical_name_systematic
;
((1-(2',4',6'-triisopropylbiphenyl-2))
(3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2'))
(triazenido-N,N'))(pentafluorophenyl)europium(II)
;
_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                96.206(16)
_cell_angle_beta                 93.326(17)
_cell_angle_gamma                106.806(19)
_cell_formula_units_Z            2
_cell_length_a                   9.043(2)
_cell_length_b                   11.166(3)
_cell_length_c                   23.368(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2235.6(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens P3'
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            10905
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.76
_diffrn_standards_decay_%        <1.5%
_diffrn_standards_interval_count 298
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.461
_exptl_absorpt_correction_T_max  0.5004
_exptl_absorpt_correction_T_min  0.4278
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'deep orange'
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             974
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.65
_exptl_crystal_size_min          0.55
_refine_diff_density_max         1.075
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.376
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         10256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.376
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0350P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                9558
_reflns_number_total             10256
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0514602si20050826_114842_1.cif
_cod_data_source_block           2
_cod_database_code               4310130
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu -0.235303(11) -0.313989(9) -0.296687(4) 0.02339(4) Uani 1 1 d . . .
N1 N -0.23213(19) -0.36422(15) -0.19277(7) 0.0229(3) Uani 1 1 d . . .
N2 N -0.10907(19) -0.27340(15) -0.16943(7) 0.0227(3) Uani 1 1 d . . .
N3 N -0.03350(19) -0.21985(15) -0.21076(7) 0.0234(3) Uani 1 1 d . . .
C1 C -0.3309(2) -0.42901(18) -0.15486(8) 0.0221(4) Uani 1 1 d . . .
C2 C -0.4804(2) -0.49743(19) -0.18174(9) 0.0251(4) Uani 1 1 d . . .
C3 C -0.5925(2) -0.5663(2) -0.15018(10) 0.0320(4) Uani 1 1 d . . .
H3A H -0.6934 -0.6095 -0.1683 0.041(7) Uiso 1 1 calc R . .
C4 C -0.5576(3) -0.5721(2) -0.09218(10) 0.0372(5) Uani 1 1 d . . .
H4A H -0.6340 -0.6199 -0.0706 0.035(7) Uiso 1 1 calc R . .
C5 C -0.4095(3) -0.5073(2) -0.06583(9) 0.0337(5) Uani 1 1 d . . .
H5A H -0.3862 -0.5129 -0.0262 0.044(8) Uiso 1 1 calc R . .
C6 C -0.2942(2) -0.43433(18) -0.09574(9) 0.0252(4) Uani 1 1 d . . .
C7 C -0.5148(2) -0.49112(19) -0.24447(9) 0.0248(4) Uani 1 1 d . . .
C8 C -0.4706(2) -0.57181(19) -0.28657(9) 0.0278(4) Uani 1 1 d . . .
C9 C -0.4989(3) -0.5620(2) -0.34516(10) 0.0343(5) Uani 1 1 d . . .
H9A H -0.4759 -0.6238 -0.3750 0.062(10) Uiso 1 1 calc R . .
C10 C -0.5689(3) -0.4748(3) -0.36307(10) 0.0375(5) Uani 1 1 d . . .
C11 C -0.6104(3) -0.3954(2) -0.32089(11) 0.0381(5) Uani 1 1 d . . .
H11A H -0.6606 -0.3323 -0.3332 0.048(8) Uiso 1 1 calc R . .
C12 C -0.5875(2) -0.4038(2) -0.26178(10) 0.0310(4) Uani 1 1 d . . .
C13 C -0.3911(3) -0.6648(2) -0.26838(11) 0.0338(5) Uani 1 1 d . . .
H13A H -0.4608 -0.7252 -0.2472 0.053(9) Uiso 1 1 calc R . .
H13B H -0.2962 -0.6196 -0.2434 0.048(8) Uiso 1 1 calc R . .
H13C H -0.3647 -0.7100 -0.3027 0.053(9) Uiso 1 1 calc R . .
C14 C -0.6040(4) -0.4709(4) -0.42708(12) 0.0596(8) Uani 1 1 d . . .
H14A H -0.6854 -0.5480 -0.4436 0.123(5) Uiso 1 1 calc R . .
H14B H -0.5099 -0.4650 -0.4468 0.123(5) Uiso 1 1 calc R . .
H14C H -0.6393 -0.3973 -0.4321 0.123(5) Uiso 1 1 calc R . .
C15 C -0.6461(3) -0.3233(3) -0.21831(12) 0.0428(6) Uani 1 1 d . . .
H15A H -0.7448 -0.3735 -0.2065 0.068(10) Uiso 1 1 calc R . .
H15B H -0.6617 -0.2513 -0.2357 0.075(11) Uiso 1 1 calc R . .
H15C H -0.5700 -0.2925 -0.1844 0.053(9) Uiso 1 1 calc R . .
C16 C -0.1391(2) -0.36694(19) -0.06326(8) 0.0260(4) Uani 1 1 d . . .
C17 C -0.0140(3) -0.4176(2) -0.06808(9) 0.0292(4) Uani 1 1 d . . .
C18 C 0.1283(3) -0.3531(2) -0.03709(10) 0.0356(5) Uani 1 1 d . . .
H18A H 0.2127 -0.3872 -0.0408 0.047(8) Uiso 1 1 calc R . .
C19 C 0.1509(3) -0.2410(2) -0.00103(10) 0.0387(5) Uani 1 1 d . . .
C20 C 0.0265(3) -0.1922(2) 0.00361(10) 0.0387(5) Uani 1 1 d . . .
H20A H 0.0398 -0.1158 0.0284 0.054(9) Uiso 1 1 calc R . .
C21 C -0.1180(3) -0.2528(2) -0.02724(9) 0.0312(4) Uani 1 1 d . . .
C22 C -0.0319(3) -0.5382(2) -0.10718(11) 0.0392(5) Uani 1 1 d . . .
H22A H 0.0586 -0.5677 -0.0997 0.074(11) Uiso 1 1 calc R . .
H22B H -0.0399 -0.5230 -0.1476 0.088(13) Uiso 1 1 calc R . .
H22C H -0.1260 -0.6025 -0.0997 0.080(12) Uiso 1 1 calc R . .
C23 C 0.3079(4) -0.1719(3) 0.03105(14) 0.0589(8) Uani 1 1 d . . .
H23A H 0.3897 -0.1768 0.0059 0.123(5) Uiso 1 1 calc R . .
H23B H 0.3215 -0.2109 0.0658 0.123(5) Uiso 1 1 calc R . .
H23C H 0.3142 -0.0832 0.0422 0.123(5) Uiso 1 1 calc R . .
C24 C -0.2470(3) -0.1920(2) -0.02396(12) 0.0450(6) Uani 1 1 d . . .
H24A H -0.2139 -0.1160 0.0045 0.072(11) Uiso 1 1 calc R . .
H24B H -0.3396 -0.2515 -0.0123 0.070(11) Uiso 1 1 calc R . .
H24C H -0.2710 -0.1690 -0.0619 0.096(14) Uiso 1 1 calc R . .
C25 C 0.0959(2) -0.11487(18) -0.19107(8) 0.0226(4) Uani 1 1 d . . .
C26 C 0.1265(2) -0.01846(18) -0.22668(8) 0.0234(4) Uani 1 1 d . . .
C27 C 0.2520(3) 0.0894(2) -0.20996(10) 0.0313(4) Uani 1 1 d . . .
H27A H 0.2727 0.1559 -0.2333 0.046(8) Uiso 1 1 calc R . .
C28 C 0.3472(3) 0.1005(2) -0.15948(11) 0.0358(5) Uani 1 1 d . . .
H28A H 0.4337 0.1734 -0.1489 0.043(8) Uiso 1 1 calc R . .
C29 C 0.3154(3) 0.0047(2) -0.12473(10) 0.0338(5) Uani 1 1 d . . .
H29A H 0.3799 0.0130 -0.0901 0.046(8) Uiso 1 1 calc R . .
C30 C 0.1904(2) -0.1033(2) -0.13994(9) 0.0279(4) Uani 1 1 d . . .
H30A H 0.1693 -0.1685 -0.1159 0.034(7) Uiso 1 1 calc R . .
C31 C 0.0128(2) -0.03294(18) -0.27844(8) 0.0233(4) Uani 1 1 d . . .
C32 C -0.1343(2) -0.01732(18) -0.26946(9) 0.0259(4) Uani 1 1 d . . .
C33 C -0.2446(2) -0.0393(2) -0.31720(10) 0.0294(4) Uani 1 1 d . . .
H33A H -0.3426 -0.0168 -0.3117 0.030(6) Uiso 1 1 calc R . .
C34 C -0.2134(2) -0.0745(2) -0.37345(10) 0.0296(4) Uani 1 1 d . . .
C35 C -0.0679(2) -0.0894(2) -0.38082(9) 0.0291(4) Uani 1 1 d . . .
H35A H -0.0451 -0.1147 -0.4186 0.036(7) Uiso 1 1 calc R . .
C36 C 0.0460(2) -0.06859(19) -0.33465(9) 0.0240(4) Uani 1 1 d . . .
C37 C -0.1712(3) 0.0278(2) -0.20948(10) 0.0339(5) Uani 1 1 d . . .
H37A H -0.0987 0.0077 -0.1806 0.035(7) Uiso 1 1 calc R . .
C38 C -0.3354(4) -0.0391(4) -0.19670(16) 0.0800(13) Uani 1 1 d . . .
H38A H -0.3510 -0.0095 -0.1571 0.123(5) Uiso 1 1 calc R . .
H38B H -0.3514 -0.1303 -0.2008 0.123(5) Uiso 1 1 calc R . .
H38C H -0.4098 -0.0204 -0.2239 0.123(5) Uiso 1 1 calc R . .
C39 C -0.1379(6) 0.1696(3) -0.20195(17) 0.0851(14) Uani 1 1 d . . .
H39A H -0.1577 0.1985 -0.1628 0.123(5) Uiso 1 1 calc R . .
H39B H -0.2053 0.1929 -0.2303 0.123(5) Uiso 1 1 calc R . .
H39C H -0.0291 0.2094 -0.2078 0.123(5) Uiso 1 1 calc R . .
C40 C -0.3299(3) -0.0832(2) -0.42452(11) 0.0374(5) Uani 1 1 d . . .
H40A H -0.4362 -0.1107 -0.4111 0.058(9) Uiso 1 1 calc R . .
C41 C -0.3240(4) -0.1773(3) -0.47619(13) 0.0565(8) Uani 1 1 d . . .
H41A H -0.3279 -0.2585 -0.4631 0.057(9) Uiso 1 1 calc R . .
H41B H -0.2274 -0.1452 -0.4941 0.075(12) Uiso 1 1 calc R . .
H41C H -0.4128 -0.1885 -0.5045 0.056(9) Uiso 1 1 calc R . .
C42 C -0.3042(4) 0.0483(3) -0.44232(16) 0.0606(9) Uani 1 1 d . . .
H42A H -0.3123 0.1068 -0.4090 0.072(12) Uiso 1 1 calc R . .
H42B H -0.3829 0.0452 -0.4735 0.067(10) Uiso 1 1 calc R . .
H42C H -0.2007 0.0774 -0.4558 0.074(12) Uiso 1 1 calc R . .
C43 C 0.2071(2) -0.0770(2) -0.34690(9) 0.0289(4) Uani 1 1 d . . .
H43A H 0.2586 -0.0928 -0.3106 0.034(7) Uiso 1 1 calc R . .
C44 C 0.2019(3) -0.1833(2) -0.39441(11) 0.0367(5) Uani 1 1 d . . .
H44A H 0.1339 -0.2630 -0.3849 0.050(8) Uiso 1 1 calc R . .
H44B H 0.3067 -0.1903 -0.3976 0.040(7) Uiso 1 1 calc R . .
H44C H 0.1616 -0.1651 -0.4313 0.035(7) Uiso 1 1 calc R . .
C45 C 0.3037(3) 0.0503(2) -0.36304(13) 0.0449(6) Uani 1 1 d . . .
H45A H 0.4087 0.0471 -0.3694 0.078(12) Uiso 1 1 calc R . .
H45B H 0.3090 0.1174 -0.3316 0.053(9) Uiso 1 1 calc R . .
H45C H 0.2548 0.0677 -0.3985 0.085(13) Uiso 1 1 calc R . .
C51 C -0.0978(3) -0.4743(2) -0.34388(11) 0.0362(5) Uani 1 1 d . . .
C52 C -0.0173(3) -0.5425(2) -0.31704(11) 0.0397(5) Uani 1 1 d . . .
F52 F 0.0128(2) -0.5224(2) -0.25829(8) 0.0674(5) Uani 1 1 d . . .
C53 C 0.0363(3) -0.6342(3) -0.34524(15) 0.0490(7) Uani 1 1 d . . .
F53 F 0.1165(2) -0.6978(2) -0.31562(13) 0.0871(7) Uani 1 1 d . . .
C54 C 0.0080(3) -0.6608(3) -0.40373(16) 0.0548(8) Uani 1 1 d . . .
F54 F 0.0614(3) -0.74873(19) -0.43301(13) 0.0959(9) Uani 1 1 d . . .
C55 C -0.0736(4) -0.5970(3) -0.43383(12) 0.0521(7) Uani 1 1 d . . .
F55 F -0.1047(3) -0.6253(2) -0.49118(8) 0.0933(8) Uani 1 1 d . . .
C56 C -0.1228(3) -0.5058(2) -0.40240(12) 0.0409(5) Uani 1 1 d . . .
F56 F -0.2054(2) -0.4443(2) -0.43353(9) 0.0713(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N3 Eu N1 49.56(5) . . ?
N3 Eu C51 96.61(7) . . ?
N1 Eu C51 100.18(7) . . ?
N3 Eu N2 24.97(5) . . ?
N1 Eu N2 24.99(5) . . ?
C51 Eu N2 102.53(7) . . ?
N3 Eu C8 116.03(6) . . ?
N1 Eu C8 68.59(6) . . ?
C51 Eu C8 77.77(7) . . ?
N2 Eu C8 93.25(5) . . ?
N3 Eu C7 104.36(5) . . ?
N1 Eu C7 55.19(5) . . ?
C51 Eu C7 102.55(7) . . ?
N2 Eu C7 79.39(5) . . ?
C8 Eu C7 26.31(5) . . ?
N3 Eu C9 141.27(6) . . ?
N1 Eu C9 94.54(6) . . ?
C51 Eu C9 73.28(7) . . ?
N2 Eu C9 119.24(6) . . ?
C8 Eu C9 25.99(6) . . ?
C7 Eu C9 45.59(6) . . ?
N3 Eu C32 64.65(6) . . ?
N1 Eu C32 98.06(6) . . ?
C51 Eu C32 133.00(6) . . ?
N2 Eu C32 78.48(5) . . ?
C8 Eu C32 149.08(5) . . ?
C7 Eu C32 123.30(5) . . ?
C9 Eu C32 147.26(6) . . ?
N3 Eu C33 90.25(6) . . ?
N1 Eu C33 117.52(6) . . ?
C51 Eu C33 134.70(7) . . ?
N2 Eu C33 102.16(5) . . ?
C8 Eu C33 137.45(6) . . ?
C7 Eu C33 118.98(6) . . ?
C9 Eu C33 123.80(6) . . ?
C32 Eu C33 25.61(6) . . ?
N3 Eu C12 113.82(6) . . ?
N1 Eu C12 70.86(6) . . ?
C51 Eu C12 122.40(7) . . ?
N2 Eu C12 90.80(5) . . ?
C8 Eu C12 45.36(6) . . ?
C7 Eu C12 25.45(5) . . ?
C9 Eu C12 52.06(6) . . ?
C32 Eu C12 104.46(6) . . ?
C33 Eu C12 94.49(6) . . ?
N3 Eu C10 156.78(6) . . ?
N1 Eu C10 107.76(6) . . ?
C51 Eu C10 92.26(7) . . ?
N2 Eu C10 131.88(5) . . ?
C8 Eu C10 45.33(6) . . ?
C7 Eu C10 52.63(6) . . ?
C9 Eu C10 25.19(7) . . ?
C32 Eu C10 122.35(6) . . ?
C33 Eu C10 98.66(6) . . ?
C12 Eu C10 44.44(6) . . ?
N3 Eu C11 137.13(6) . . ?
N1 Eu C11 95.68(6) . . ?
C51 Eu C11 116.22(7) . . ?
N2 Eu C11 115.51(6) . . ?
C8 Eu C11 52.20(6) . . ?
C7 Eu C11 44.54(6) . . ?
C9 Eu C11 43.99(7) . . ?
C32 Eu C11 104.49(6) . . ?
C33 Eu C11 85.57(6) . . ?
C12 Eu C11 24.99(6) . . ?
C10 Eu C11 24.86(7) . . ?
N2 N1 C1 116.96(16) . . ?
N2 N1 Eu 99.79(11) . . ?
C1 N1 Eu 140.56(13) . . ?
N1 N2 N3 108.92(15) . . ?
N1 N2 Eu 55.22(9) . . ?
N3 N2 Eu 54.95(9) . . ?
N2 N3 C25 114.35(16) . . ?
N2 N3 Eu 100.08(11) . . ?
C25 N3 Eu 142.05(13) . . ?
N1 C1 C6 127.01(18) . . ?
N1 C1 C2 113.30(17) . . ?
C6 C1 C2 119.67(18) . . ?
C3 C2 C1 120.61(19) . . ?
C3 C2 C7 121.06(18) . . ?
C1 C2 C7 118.32(17) . . ?
C2 C3 C4 120.1(2) . . ?
C3 C4 C5 119.5(2) . . ?
C4 C5 C6 122.2(2) . . ?
C5 C6 C1 117.85(19) . . ?
C5 C6 C16 118.11(18) . . ?
C1 C6 C16 124.04(18) . . ?
C12 C7 C8 119.92(19) . . ?
C12 C7 C2 120.41(19) . . ?
C8 C7 C2 119.66(19) . . ?
C12 C7 Eu 81.46(12) . . ?
C8 C7 Eu 75.30(11) . . ?
C2 C7 Eu 112.44(12) . . ?
C9 C8 C7 119.1(2) . . ?
C9 C8 C13 120.7(2) . . ?
C7 C8 C13 120.27(19) . . ?
C9 C8 Eu 78.86(12) . . ?
C7 C8 Eu 78.39(12) . . ?
C13 C8 Eu 111.73(13) . . ?
C10 C9 C8 121.8(2) . . ?
C10 C9 Eu 81.37(14) . . ?
C8 C9 Eu 75.15(12) . . ?
C9 C10 C11 118.3(2) . . ?
C9 C10 C14 120.2(3) . . ?
C11 C10 C14 121.5(3) . . ?
C9 C10 Eu 73.43(12) . . ?
C11 C10 Eu 78.09(13) . . ?
C14 C10 Eu 120.61(17) . . ?
C10 C11 C12 121.9(2) . . ?
C10 C11 Eu 77.05(13) . . ?
C12 C11 Eu 76.94(13) . . ?
C11 C12 C7 119.0(2) . . ?
C11 C12 C15 119.8(2) . . ?
C7 C12 C15 121.2(2) . . ?
C11 C12 Eu 78.06(13) . . ?
C7 C12 Eu 73.09(12) . . ?
C15 C12 Eu 121.41(15) . . ?
C21 C16 C17 119.4(2) . . ?
C21 C16 C6 120.09(19) . . ?
C17 C16 C6 120.53(18) . . ?
C18 C17 C16 119.2(2) . . ?
C18 C17 C22 120.1(2) . . ?
C16 C17 C22 120.7(2) . . ?
C19 C18 C17 122.2(2) . . ?
C18 C19 C20 118.1(2) . . ?
C18 C19 C23 120.9(3) . . ?
C20 C19 C23 121.0(3) . . ?
C19 C20 C21 121.7(2) . . ?
C20 C21 C16 119.4(2) . . ?
C20 C21 C24 119.9(2) . . ?
C16 C21 C24 120.6(2) . . ?
C30 C25 C26 120.58(18) . . ?
C30 C25 N3 124.13(18) . . ?
C26 C25 N3 115.29(17) . . ?
C27 C26 C25 118.86(18) . . ?
C27 C26 C31 123.41(18) . . ?
C25 C26 C31 117.52(17) . . ?
C28 C27 C26 120.7(2) . . ?
C29 C28 C27 119.8(2) . . ?
C28 C29 C30 120.9(2) . . ?
C29 C30 C25 119.21(19) . . ?
C36 C31 C32 119.63(18) . . ?
C36 C31 C26 121.61(17) . . ?
C32 C31 C26 118.65(18) . . ?
C36 C31 Eu 83.44(12) . . ?
C32 C31 Eu 73.24(11) . . ?
C26 C31 Eu 110.21(12) . . ?
C33 C32 C31 118.87(19) . . ?
C33 C32 C37 120.14(19) . . ?
C31 C32 C37 120.95(19) . . ?
C33 C32 Eu 78.26(12) . . ?
C31 C32 Eu 81.30(11) . . ?
C37 C32 Eu 112.54(13) . . ?
C34 C33 C32 122.22(19) . . ?
C34 C33 Eu 84.28(13) . . ?
C32 C33 Eu 76.14(12) . . ?
C35 C34 C33 117.52(19) . . ?
C35 C34 C40 122.0(2) . . ?
C33 C34 C40 120.2(2) . . ?
C34 C35 C36 122.4(2) . . ?
C35 C36 C31 119.32(18) . . ?
C35 C36 C43 119.24(18) . . ?
C31 C36 C43 121.33(18) . . ?
C39 C37 C38 112.0(3) . . ?
C39 C37 C32 109.8(2) . . ?
C38 C37 C32 113.0(2) . . ?
C34 C40 C41 114.2(2) . . ?
C34 C40 C42 108.5(2) . . ?
C41 C40 C42 110.6(3) . . ?
C44 C43 C36 112.86(18) . . ?
C44 C43 C45 110.35(19) . . ?
C36 C43 C45 108.83(18) . . ?
C56 C51 C52 113.8(2) . . ?
C56 C51 Eu 117.12(18) . . ?
C52 C51 Eu 128.64(18) . . ?
F52 C52 C51 119.9(2) . . ?
F52 C52 C53 115.7(3) . . ?
C51 C52 C53 124.5(3) . . ?
C54 C53 F53 120.0(3) . . ?
C54 C53 C52 118.9(3) . . ?
F53 C53 C52 121.2(3) . . ?
F54 C54 C53 120.5(3) . . ?
F54 C54 C55 119.4(3) . . ?
C53 C54 C55 120.1(2) . . ?
F55 C55 C54 120.1(3) . . ?
F55 C55 C56 122.3(3) . . ?
C54 C55 C56 117.5(3) . . ?
C51 C56 F56 118.5(2) . . ?
C51 C56 C55 125.2(3) . . ?
F56 C56 C55 116.3(3) . . ?
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
Eu N3 2.5448(17) . ?
Eu N1 2.5510(17) . ?
Eu C51 2.643(2) . ?
Eu N2 3.0607(17) . ?
Eu C8 3.088(2) . ?
Eu C7 3.127(2) . ?
Eu C9 3.134(2) . ?
Eu C32 3.153(2) . ?
Eu C33 3.179(2) . ?
Eu C12 3.232(2) . ?
Eu C10 3.233(2) . ?
Eu C11 3.246(2) . ?
N1 N2 1.312(2) . ?
N1 C1 1.401(2) . ?
N2 N3 1.313(2) . ?
N3 C25 1.408(2) . ?
C1 C6 1.414(3) . ?
C1 C2 1.416(3) . ?
C2 C3 1.386(3) . ?
C2 C7 1.494(3) . ?
C3 C4 1.387(3) . ?
C4 C5 1.394(3) . ?
C5 C6 1.399(3) . ?
C6 C16 1.500(3) . ?
C7 C12 1.404(3) . ?
C7 C8 1.415(3) . ?
C8 C9 1.400(3) . ?
C8 C13 1.505(3) . ?
C9 C10 1.392(4) . ?
C10 C11 1.395(4) . ?
C10 C14 1.519(3) . ?
C11 C12 1.402(3) . ?
C12 C15 1.504(3) . ?
C16 C21 1.406(3) . ?
C16 C17 1.409(3) . ?
C17 C18 1.393(3) . ?
C17 C22 1.505(3) . ?
C18 C19 1.387(4) . ?
C19 C20 1.389(4) . ?
C19 C23 1.513(3) . ?
C20 C21 1.400(3) . ?
C21 C24 1.511(3) . ?
C25 C30 1.400(3) . ?
C25 C26 1.406(3) . ?
C26 C27 1.395(3) . ?
C26 C31 1.504(3) . ?
C27 C28 1.392(3) . ?
C28 C29 1.387(3) . ?
C29 C30 1.390(3) . ?
C31 C36 1.406(3) . ?
C31 C32 1.416(3) . ?
C32 C33 1.403(3) . ?
C32 C37 1.526(3) . ?
C33 C34 1.399(3) . ?
C34 C35 1.391(3) . ?
C34 C40 1.521(3) . ?
C35 C36 1.399(3) . ?
C36 C43 1.528(3) . ?
C37 C39 1.512(4) . ?
C37 C38 1.520(4) . ?
C40 C41 1.526(4) . ?
C40 C42 1.527(4) . ?
C43 C44 1.523(3) . ?
C43 C45 1.537(3) . ?
C51 C56 1.363(4) . ?
C51 C52 1.369(4) . ?
C52 F52 1.365(3) . ?
C52 C53 1.376(4) . ?
C53 C54 1.360(5) . ?
C53 F53 1.362(3) . ?
C54 F54 1.353(3) . ?
C54 C55 1.379(5) . ?
C55 F55 1.337(3) . ?
C55 C56 1.383(4) . ?
C56 F56 1.378(3) . ?
