#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:09:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179914 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/09/7020993.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_7020993
loop_
_publ_author_name
'Lundberg, Daniel'
'Persson, Ingmar'
'Ekberg, Christian'
_publ_section_title
;
 Crystal structure of
 [Eu(CyMe(4)-BTBP)(2)κ(2)O,O'-(NO(3))](NO(3))(2)·n-C(8)H(17)OH and
 its structure in 1-octanol solution.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3767
_journal_page_last               3770
_journal_paper_doi               10.1039/c2dt32317f
_journal_volume                  42
_journal_year                    2013
_chemical_compound_source        'crystallized from 1-octanol'
_chemical_formula_sum            'C72 H94 Eu N19 O10'
_chemical_formula_weight         1537.62
_chemical_name_common            '[Eu(CyMe4-BTBP)2-kappa2-NO3](NO3)2.C8H17OH'
_chemical_name_systematic
'bis(CyMe4-BTBP)europium(III) nitrate 1-octanol solvate'
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.946(6)
_cell_length_b                   16.623(4)
_cell_length_c                   20.508(5)
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.77
_cell_measurement_theta_min      2.45
_cell_volume                     8163(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX-II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Diamond 2.1e, Crystal Impact GbR'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            50009
_diffrn_reflns_theta_full        23.18
_diffrn_reflns_theta_max         23.18
_diffrn_reflns_theta_min         2.48
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_correction_T_min  0.6202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     512
_refine_ls_number_reflns         5790
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0845P)²+10.2097P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1265
_refine_ls_wR_factor_ref         0.1470
_reflns_number_gt                4010
_reflns_number_total             5790
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c2dt32317f.txt
_cod_data_source_block           eubtbpm0
_cod_database_code               7020993
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, 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
Eu1 Eu 0.7500 0.7500 0.228358(16) 0.04346(17) Uani 1 2 d S
N10 N 0.70402(16) 0.8703(2) 0.1727(2) 0.0507(10) Uani 1 1 d .
C11 C 0.6531(2) 0.8961(3) 0.1917(3) 0.0592(14) Uani 1 1 d .
C12 C 0.6317(3) 0.9682(4) 0.1688(4) 0.087(2) Uani 1 1 d .
H12 H 0.5970 0.9858 0.1832 0.104 Uiso 1 1 calc R
C13 C 0.6610(3) 1.0133(4) 0.1255(4) 0.105(3) Uani 1 1 d .
H13 H 0.6472 1.0627 0.1114 0.126 Uiso 1 1 calc R
C14 C 0.7108(3) 0.9851(4) 0.1031(4) 0.089(2) Uani 1 1 d .
H14 H 0.7308 1.0132 0.0716 0.107 Uiso 1 1 calc R
C15 C 0.7310(2) 0.9135(3) 0.1285(3) 0.0607(14) Uani 1 1 d .
C16 C 0.7842(2) 0.8794(3) 0.1036(3) 0.0575(14) Uani 1 1 d .
N17 N 0.8112(2) 0.9196(3) 0.0565(2) 0.0664(13) Uani 1 1 d .
N18 N 0.80013(17) 0.8092(2) 0.1286(2) 0.0533(11) Uani 1 1 d .
N19 N 0.84518(19) 0.7731(3) 0.1024(2) 0.0588(12) Uani 1 1 d .
C20 C 0.8725(2) 0.8084(4) 0.0544(3) 0.0621(15) Uani 1 1 d .
C21 C 0.8557(3) 0.8851(4) 0.0313(3) 0.0643(16) Uani 1 1 d .
C22 C 0.8875(3) 0.9303(4) -0.0203(3) 0.081(2) Uani 1 1 d .
C221 C 0.9124(4) 1.0034(6) 0.0076(5) 0.127(3) Uani 1 1 d .
H22A H 0.9324 0.9899 0.0467 0.190 Uiso 1 1 calc R
H22B H 0.8834 1.0413 0.0178 0.190 Uiso 1 1 calc R
H22C H 0.9377 1.0268 -0.0234 0.190 Uiso 1 1 calc R
C222 C 0.8455(5) 0.9586(9) -0.0718(5) 0.206(7) Uani 1 1 d .
H22D H 0.8153 0.9864 -0.0509 0.309 Uiso 1 1 calc R
H22E H 0.8312 0.9130 -0.0951 0.309 Uiso 1 1 calc R
H22F H 0.8638 0.9943 -0.1018 0.309 Uiso 1 1 calc R
C23 C 0.9307(7) 0.8813(7) -0.0481(7) 0.222(8) Uani 1 1 d .
H23A H 0.9176 0.8665 -0.0912 0.267 Uiso 1 1 calc R
H23B H 0.9623 0.9168 -0.0546 0.267 Uiso 1 1 calc R
C24 C 0.9514(4) 0.8148(8) -0.0224(5) 0.145(5) Uani 1 1 d .
H24A H 0.9861 0.8300 -0.0014 0.175 Uiso 1 1 calc R
H24B H 0.9614 0.7804 -0.0588 0.175 Uiso 1 1 calc R
C25 C 0.9209(4) 0.7617(4) 0.0256(3) 0.084(2) Uani 1 1 d .
C251 C 0.9583(4) 0.7342(6) 0.0779(5) 0.147(4) Uani 1 1 d .
H25A H 0.9941 0.7209 0.0597 0.221 Uiso 1 1 calc R
H25B H 0.9426 0.6875 0.0985 0.221 Uiso 1 1 calc R
H25C H 0.9627 0.7762 0.1096 0.221 Uiso 1 1 calc R
C252 C 0.8939(5) 0.6907(8) -0.0123(7) 0.221(8) Uani 1 1 d .
H25D H 0.9150 0.6804 -0.0512 0.332 Uiso 1 1 calc R
H25E H 0.8562 0.7044 -0.0237 0.332 Uiso 1 1 calc R
H25F H 0.8938 0.6435 0.0147 0.332 Uiso 1 1 calc R
N30 N 0.64432(18) 0.7688(3) 0.2462(2) 0.0514(11) Uani 1 1 d .
C31 C 0.6208(2) 0.8409(3) 0.2336(3) 0.0550(14) Uani 1 1 d .
C32 C 0.5676(2) 0.8588(4) 0.2554(3) 0.0689(16) Uani 1 1 d .
H32 H 0.5524 0.9095 0.2479 0.083 Uiso 1 1 calc R
C33 C 0.5376(3) 0.8026(5) 0.2879(3) 0.0766(18) Uani 1 1 d .
H33 H 0.5016 0.8142 0.3021 0.092 Uiso 1 1 calc R
C34 C 0.5606(3) 0.7280(4) 0.2998(3) 0.0694(17) Uani 1 1 d .
H34 H 0.5402 0.6883 0.3211 0.083 Uiso 1 1 calc R
C35 C 0.6151(2) 0.7134(4) 0.2791(2) 0.0527(13) Uani 1 1 d .
C36 C 0.6418(2) 0.6364(3) 0.2909(3) 0.0542(13) Uani 1 1 d .
N37 N 0.6137(2) 0.5806(3) 0.3248(2) 0.0658(13) Uani 1 1 d .
N38 N 0.69319(18) 0.6258(3) 0.2676(2) 0.0561(11) Uani 1 1 d .
N39 N 0.7165(2) 0.5519(3) 0.2722(2) 0.0693(14) Uani 1 1 d .
C40 C 0.6887(3) 0.4922(3) 0.3010(3) 0.0706(17) Uani 1 1 d .
C41 C 0.6372(3) 0.5084(4) 0.3301(3) 0.0718(18) Uani 1 1 d .
C42 C 0.6056(4) 0.4463(4) 0.3696(4) 0.099(2) Uani 1 1 d .
C421 C 0.6130(7) 0.4692(6) 0.4414(5) 0.210(7) Uani 1 1 d .
H42A H 0.5978 0.4275 0.4685 0.315 Uiso 1 1 calc R
H42B H 0.5938 0.5188 0.4499 0.315 Uiso 1 1 calc R
H42C H 0.6520 0.4757 0.4508 0.315 Uiso 1 1 calc R
C422 C 0.5445(4) 0.4469(9) 0.3499(8) 0.258(10) Uani 1 1 d .
H42D H 0.5219 0.4320 0.3866 0.387 Uiso 1 1 calc R
H42E H 0.5387 0.4092 0.3151 0.387 Uiso 1 1 calc R
H42F H 0.5342 0.4998 0.3356 0.387 Uiso 1 1 calc R
C43 C 0.6320(6) 0.3651(5) 0.3592(6) 0.174(5) Uani 1 1 d .
H43A H 0.6293 0.3370 0.4005 0.209 Uiso 1 1 calc R
H43B H 0.6079 0.3366 0.3290 0.209 Uiso 1 1 calc R
C44 C 0.6835(5) 0.3540(6) 0.3382(7) 0.160(5) Uani 1 1 d .
H44A H 0.6834 0.3030 0.3152 0.192 Uiso 1 1 calc R
H44B H 0.7063 0.3463 0.3768 0.192 Uiso 1 1 calc R
C45 C 0.7140(3) 0.4098(4) 0.2971(4) 0.092(2) Uani 1 1 d .
C451 C 0.7711(6) 0.4120(6) 0.3176(10) 0.225(8) Uani 1 1 d .
H45A H 0.7735 0.4376 0.3595 0.337 Uiso 1 1 calc R
H45B H 0.7928 0.4416 0.2865 0.337 Uiso 1 1 calc R
H45C H 0.7852 0.3581 0.3208 0.337 Uiso 1 1 calc R
C452 C 0.7097(8) 0.3803(6) 0.2272(6) 0.197(6) Uani 1 1 d .
H45D H 0.7209 0.4225 0.1981 0.296 Uiso 1 1 calc R
H45E H 0.6718 0.3652 0.2181 0.296 Uiso 1 1 calc R
H45F H 0.7336 0.3346 0.2214 0.296 Uiso 1 1 calc R
N1 N 0.7500 0.7500 0.3741(5) 0.109(4) Uani 1 2 d SD
O11 O 0.7181(2) 0.7933(4) 0.3423(3) 0.1017(16) Uani 1 1 d D
O12 O 0.7500 0.7500 0.4334(4) 0.197(7) Uani 1 2 d SD
N2 N 0.5626(6) 0.5190(9) 0.1755(5) 0.074(3) Uani 0.50 1 d PDU
O21 O 0.5701(4) 0.5850(6) 0.1735(4) 0.090(3) Uani 0.50 1 d PDU
O22 O 0.5189(7) 0.4862(7) 0.1712(5) 0.141(6) Uani 0.50 1 d PDU
O23 O 0.5988(9) 0.4772(11) 0.1792(6) 0.183(8) Uani 0.50 1 d PDU
N3 N 0.4348(7) 0.6341(13) 0.2192(12) 0.118(6) Uani 0.50 1 d PD
O31 O 0.4559(5) 0.5998(7) 0.2628(8) 0.122(5) Uani 0.50 1 d PD
O32 O 0.4443(7) 0.6174(16) 0.1649(10) 0.211(12) Uani 0.50 1 d PD
O33 O 0.4056(10) 0.6819(13) 0.2248(14) 0.237(14) Uani 0.50 1 d PD
O80 O 0.5705(8) 0.3196(15) 0.6171(19) 0.325(18) Uani 0.50 1 d PDU
C81 C 0.5991(13) 0.2466(18) 0.617(2) 0.375(18) Uani 1 1 d DU
H81A H 0.5730 0.2019 0.6174 0.450 Uiso 1 1 calc R
H81B H 0.6227 0.2425 0.6555 0.450 Uiso 1 1 calc R
C82 C 0.6343(19) 0.2452(19) 0.555(2) 0.379(18) Uani 1 1 d DU
H82A H 0.6066 0.2343 0.5220 0.454 Uiso 1 1 calc R
H82B H 0.6437 0.3015 0.5499 0.454 Uiso 1 1 calc R
C83 C 0.6834(17) 0.2051(16) 0.5299(19) 0.408(19) Uani 1 1 d DU
H83A H 0.6938 0.1590 0.5563 0.490 Uiso 1 1 calc R
H83B H 0.6782 0.1883 0.4850 0.490 Uiso 1 1 calc R
C84 C 0.7213(11) 0.266(2) 0.5351(15) 0.42(2) Uani 1 1 d DU
H84A H 0.7147 0.2957 0.5752 0.504 Uiso 1 1 calc R
H84B H 0.7167 0.3030 0.4988 0.504 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'
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
N10 Eu1 N10 126.84(19) 2_665 .
N10 Eu1 O11 93.39(17) 2_665 2_665
N10 Eu1 O11 139.21(17) . 2_665
N10 Eu1 O11 139.21(17) 2_665 .
N10 Eu1 O11 93.39(17) . .
O11 Eu1 O11 48.4(3) 2_665 .
N10 Eu1 N18 62.93(13) 2_665 2_665
N10 Eu1 N18 75.06(13) . 2_665
O11 Eu1 N18 139.31(17) 2_665 2_665
O11 Eu1 N18 134.03(15) . 2_665
N10 Eu1 N18 75.06(13) 2_665 .
N10 Eu1 N18 62.93(13) . .
O11 Eu1 N18 134.03(15) 2_665 .
O11 Eu1 N18 139.31(17) . .
N18 Eu1 N18 74.38(19) 2_665 .
N10 Eu1 N30 125.63(13) 2_665 .
N10 Eu1 N30 62.92(14) . .
O11 Eu1 N30 101.38(16) 2_665 .
O11 Eu1 N30 62.81(15) . .
N18 Eu1 N30 72.59(14) 2_665 .
N18 Eu1 N30 121.74(14) . .
N10 Eu1 N30 62.93(14) 2_665 2_665
N10 Eu1 N30 125.63(13) . 2_665
O11 Eu1 N30 62.81(15) 2_665 2_665
O11 Eu1 N30 101.38(16) . 2_665
N18 Eu1 N30 121.74(14) 2_665 2_665
N18 Eu1 N30 72.59(14) . 2_665
N30 Eu1 N30 163.6(2) . 2_665
N10 Eu1 N38 75.07(14) 2_665 .
N10 Eu1 N38 122.33(14) . .
O11 Eu1 N38 69.52(16) 2_665 .
O11 Eu1 N38 77.56(17) . .
N18 Eu1 N38 72.42(13) 2_665 .
N18 Eu1 N38 142.72(14) . .
N30 Eu1 N38 62.50(14) . .
N30 Eu1 N38 111.93(14) 2_665 .
N10 Eu1 N38 122.34(14) 2_665 2_665
N10 Eu1 N38 75.07(14) . 2_665
O11 Eu1 N38 77.57(17) 2_665 2_665
O11 Eu1 N38 69.52(16) . 2_665
N18 Eu1 N38 142.72(14) 2_665 2_665
N18 Eu1 N38 72.42(13) . 2_665
N30 Eu1 N38 111.93(14) . 2_665
N30 Eu1 N38 62.50(14) 2_665 2_665
N38 Eu1 N38 143.91(19) . 2_665
N10 Eu1 N1 116.58(9) 2_665 .
N10 Eu1 N1 116.58(9) . .
O11 Eu1 N1 24.20(13) 2_665 .
O11 Eu1 N1 24.20(13) . .
N18 Eu1 N1 142.81(10) 2_665 .
N18 Eu1 N1 142.81(10) . .
N30 Eu1 N1 81.82(11) . .
N30 Eu1 N1 81.82(11) 2_665 .
N38 Eu1 N1 71.95(10) . .
N38 Eu1 N1 71.95(10) 2_665 .
C15 N10 C11 117.7(4) . .
C15 N10 Eu1 121.4(3) . .
C11 N10 Eu1 120.6(3) . .
N10 C11 C12 120.7(6) . .
N10 C11 C31 116.4(4) . .
C12 C11 C31 122.8(5) . .
C13 C12 C11 120.6(6) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C14 118.9(6) . .
C12 C13 H13 120.6 . .
C14 C13 H13 120.6 . .
C13 C14 C15 118.4(6) . .
C13 C14 H14 120.8 . .
C15 C14 H14 120.8 . .
N10 C15 C14 123.6(6) . .
N10 C15 C16 116.4(5) . .
C14 C15 C16 119.9(5) . .
N18 C16 N17 125.2(5) . .
N18 C16 C15 116.7(5) . .
N17 C16 C15 118.1(5) . .
C21 N17 C16 117.1(5) . .
C16 N18 N19 117.9(4) . .
C16 N18 Eu1 120.6(3) . .
N19 N18 Eu1 121.4(3) . .
C20 N19 N18 119.7(5) . .
N19 C20 C21 120.5(5) . .
N19 C20 C25 116.3(5) . .
C21 C20 C25 123.2(5) . .
N17 C21 C20 119.4(5) . .
N17 C21 C22 117.9(6) . .
C20 C21 C22 122.7(6) . .
C23 C22 C221 109.3(9) . .
C23 C22 C21 111.1(7) . .
C221 C22 C21 110.2(6) . .
C23 C22 C222 111.9(10) . .
C221 C22 C222 106.3(9) . .
C21 C22 C222 107.9(6) . .
C22 C221 H22A 109.5 . .
C22 C221 H22B 109.5 . .
H22A C221 H22B 109.5 . .
C22 C221 H22C 109.5 . .
H22A C221 H22C 109.5 . .
H22B C221 H22C 109.5 . .
C22 C222 H22D 109.5 . .
C22 C222 H22E 109.5 . .
H22D C222 H22E 109.5 . .
C22 C222 H22F 109.5 . .
H22D C222 H22F 109.5 . .
H22E C222 H22F 109.5 . .
C24 C23 C22 125.9(9) . .
C24 C23 H23A 105.8 . .
C22 C23 H23A 105.8 . .
C24 C23 H23B 105.8 . .
C22 C23 H23B 105.8 . .
H23A C23 H23B 106.2 . .
C23 C24 C25 124.6(8) . .
C23 C24 H24A 106.2 . .
C25 C24 H24A 106.2 . .
C23 C24 H24B 106.2 . .
C25 C24 H24B 106.2 . .
H24A C24 H24B 106.4 . .
C251 C25 C24 111.2(8) . .
C251 C25 C20 110.0(6) . .
C24 C25 C20 109.0(7) . .
C251 C25 C252 112.4(9) . .
C24 C25 C252 108.6(9) . .
C20 C25 C252 105.4(7) . .
C25 C251 H25A 109.5 . .
C25 C251 H25B 109.5 . .
H25A C251 H25B 109.5 . .
C25 C251 H25C 109.5 . .
H25A C251 H25C 109.5 . .
H25B C251 H25C 109.5 . .
C25 C252 H25D 109.5 . .
C25 C252 H25E 109.5 . .
H25D C252 H25E 109.5 . .
C25 C252 H25F 109.5 . .
H25D C252 H25F 109.5 . .
H25E C252 H25F 109.5 . .
C35 N30 C31 119.4(5) . .
C35 N30 Eu1 120.1(4) . .
C31 N30 Eu1 119.3(4) . .
N30 C31 C32 120.8(6) . .
N30 C31 C11 116.5(5) . .
C32 C31 C11 122.5(5) . .
C33 C32 C31 120.0(6) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 119.8(6) . .
C32 C33 H33 120.1 . .
C34 C33 H33 120.1 . .
C33 C34 C35 118.4(6) . .
C33 C34 H34 120.8 . .
C35 C34 H34 120.8 . .
N30 C35 C34 121.6(6) . .
N30 C35 C36 117.4(5) . .
C34 C35 C36 121.0(5) . .
N38 C36 N37 123.9(5) . .
N38 C36 C35 117.7(5) . .
N37 C36 C35 118.4(5) . .
C41 N37 C36 116.9(5) . .
C36 N38 N39 118.5(5) . .
C36 N38 Eu1 119.3(3) . .
N39 N38 Eu1 121.8(3) . .
C40 N39 N38 120.0(5) . .
N39 C40 C41 119.1(6) . .
N39 C40 C45 117.0(6) . .
C41 C40 C45 123.8(6) . .
N37 C41 C40 120.9(5) . .
N37 C41 C42 116.5(7) . .
C40 C41 C42 122.6(7) . .
C43 C42 C41 109.0(7) . .
C43 C42 C422 111.9(10) . .
C41 C42 C422 109.6(7) . .
C43 C42 C421 108.1(9) . .
C41 C42 C421 106.6(7) . .
C422 C42 C421 111.4(12) . .
C42 C421 H42A 109.5 . .
C42 C421 H42B 109.5 . .
H42A C421 H42B 109.5 . .
C42 C421 H42C 109.5 . .
H42A C421 H42C 109.5 . .
H42B C421 H42C 109.5 . .
C42 C422 H42D 109.5 . .
C42 C422 H42E 109.5 . .
H42D C422 H42E 109.5 . .
C42 C422 H42F 109.5 . .
H42D C422 H42F 109.5 . .
H42E C422 H42F 109.5 . .
C44 C43 C42 124.3(9) . .
C44 C43 H43A 106.2 . .
C42 C43 H43A 106.2 . .
C44 C43 H43B 106.2 . .
C42 C43 H43B 106.2 . .
H43A C43 H43B 106.4 . .
C43 C44 C45 124.8(9) . .
C43 C44 H44A 106.1 . .
C45 C44 H44A 106.1 . .
C43 C44 H44B 106.1 . .
C45 C44 H44B 106.1 . .
H44A C44 H44B 106.3 . .
C451 C45 C44 108.9(9) . .
C451 C45 C40 110.3(7) . .
C44 C45 C40 110.5(7) . .
C451 C45 C452 110.5(11) . .
C44 C45 C452 108.0(9) . .
C40 C45 C452 108.6(7) . .
C45 C451 H45A 109.5 . .
C45 C451 H45B 109.5 . .
H45A C451 H45B 109.5 . .
C45 C451 H45C 109.5 . .
H45A C451 H45C 109.5 . .
H45B C451 H45C 109.5 . .
C45 C452 H45D 109.5 . .
C45 C452 H45E 109.5 . .
H45D C452 H45E 109.5 . .
C45 C452 H45F 109.5 . .
H45D C452 H45F 109.5 . .
H45E C452 H45F 109.5 . .
O12 N1 O11 121.8(4) . 2_665
O12 N1 O11 121.8(4) . .
O11 N1 O11 116.3(9) 2_665 .
O12 N1 Eu1 180.000(2) . .
O11 N1 Eu1 58.2(4) 2_665 .
O11 N1 Eu1 58.2(4) . .
N1 O11 Eu1 97.6(5) . .
O21 N2 O23 119.4(18) . .
O21 N2 O22 126.5(14) . .
O23 N2 O22 114.0(17) . .
O33 N3 O32 114(3) . .
O33 N3 O31 124(3) . .
O32 N3 O31 122(3) . .
O80 C81 C82 106(4) . .
O80 C81 H81A 110.4 . .
C82 C81 H81A 110.4 . .
O80 C81 H81B 110.4 . .
C82 C81 H81B 110.4 . .
H81A C81 H81B 108.6 . .
C83 C82 C81 139(4) . .
C83 C82 H82A 102.3 . .
C81 C82 H82A 102.3 . .
C83 C82 H82B 102.3 . .
C81 C82 H82B 102.3 . .
H82A C82 H82B 104.8 . .
C84 C83 C82 100(3) . .
C84 C83 H83A 111.8 . .
C82 C83 H83A 111.8 . .
C84 C83 H83B 111.8 . .
C82 C83 H83B 111.8 . .
H83A C83 H83B 109.6 . .
C83 C84 C84 110(4) . 2_655
C83 C84 H84A 109.6 . .
C84 C84 H84A 109.6 2_655 .
C83 C84 H84B 109.6 . .
C84 C84 H84B 109.6 2_655 .
H84A C84 H84B 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 N10 2.552(4) 2_665
Eu1 N10 2.552(4) .
Eu1 O11 2.562(5) 2_665
Eu1 O11 2.562(5) .
Eu1 N18 2.569(4) 2_665
Eu1 N18 2.569(4) .
Eu1 N30 2.576(4) .
Eu1 N30 2.576(5) 2_665
Eu1 N38 2.600(4) .
Eu1 N38 2.600(4) 2_665
Eu1 N1 2.989(9) .
N10 C15 1.325(7) .
N10 C11 1.350(6) .
C11 C12 1.386(8) .
C11 C31 1.475(8) .
C12 C13 1.356(9) .
C12 H12 0.9300 .
C13 C14 1.362(9) .
C13 H13 0.9300 .
C14 C15 1.385(8) .
C14 H14 0.9300 .
C15 C16 1.485(8) .
C16 N18 1.329(6) .
C16 N17 1.342(7) .
N17 C21 1.316(7) .
N18 N19 1.347(6) .
N19 C20 1.319(7) .
C20 C21 1.419(8) .
C20 C25 1.513(9) .
C21 C22 1.504(8) .
C22 C23 1.436(12) .
C22 C221 1.471(10) .
C22 C222 1.532(12) .
C221 H22A 0.9600 .
C221 H22B 0.9600 .
C221 H22C 0.9600 .
C222 H22D 0.9600 .
C222 H22E 0.9600 .
C222 H22F 0.9600 .
C23 C24 1.321(13) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.510(11) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C251 1.470(12) .
C25 C252 1.555(12) .
C251 H25A 0.9600 .
C251 H25B 0.9600 .
C251 H25C 0.9600 .
C252 H25D 0.9600 .
C252 H25E 0.9600 .
C252 H25F 0.9600 .
N30 C35 1.338(7) .
N30 C31 1.349(7) .
C31 C32 1.384(8) .
C32 C33 1.354(9) .
C32 H32 0.9300 .
C33 C34 1.378(9) .
C33 H33 0.9300 .
C34 C35 1.394(8) .
C34 H34 0.9300 .
C35 C36 1.451(8) .
C36 N38 1.332(7) .
C36 N37 1.341(7) .
N37 C41 1.330(8) .
N38 N39 1.351(6) .
N39 C40 1.334(7) .
C40 C41 1.395(9) .
C40 C45 1.500(9) .
C41 C42 1.515(8) .
C42 C43 1.505(13) .
C42 C422 1.519(12) .
C42 C421 1.532(12) .
C421 H42A 0.9600 .
C421 H42B 0.9600 .
C421 H42C 0.9600 .
C422 H42D 0.9600 .
C422 H42E 0.9600 .
C422 H42F 0.9600 .
C43 C44 1.320(13) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 C45 1.450(12) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C451 1.432(15) .
C45 C452 1.516(13) .
C451 H45A 0.9600 .
C451 H45B 0.9600 .
C451 H45C 0.9600 .
C452 H45D 0.9600 .
C452 H45E 0.9600 .
C452 H45F 0.9600 .
N1 O12 1.217(12) .
N1 O11 1.236(7) 2_665
N1 O11 1.236(7) .
N2 O21 1.113(13) .
N2 O23 1.113(16) .
N2 O22 1.184(15) .
N3 O33 1.07(2) .
N3 O32 1.17(2) .
N3 O31 1.175(19) .
O80 C81 1.39(3) .
C81 C82 1.52(4) .
C81 H81A 0.9700 .
C81 H81B 0.9700 .
C82 C83 1.45(4) .
C82 H82A 0.9700 .
C82 H82B 0.9700 .
C83 C84 1.37(3) .
C83 H83A 0.9700 .
C83 H83B 0.9700 .
C84 C84 1.48(5) 2_655
C84 H84A 0.9700 .
C84 H84B 0.9700 .
