#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/85/2228571.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_2228571
loop_
_publ_author_name
'Huang, Bao'
'Chiya, Wang'
'Xinqing, Wang'
'Jin, Hongxiao'
_publ_section_title
;
 Bis(2,6-dihydroxybenzoato-κ²O¹,O^1'^)(nitrato-κ²O,O')bis(1,10-phenanthroline-κ²N,N')europium(III)
;
_journal_coeditor_code           SU2227
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1612
_journal_paper_doi               10.1107/S1600536810047148
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Eu (C7 H5 O3)2 (N O3) (C12 H8 N2)2]'
_chemical_formula_moiety         'C38 H26 Eu N5 O11'
_chemical_formula_sum            'C38 H26 Eu N5 O11'
_chemical_formula_weight         880.60
_chemical_name_systematic
;
Bis(2,6-dihydroxybenzoato-κ²O¹,O^1'^)(nitrato-
κ²O,O')bis(1,10-phenanthroline-
κ²N,N')europium(III)
;
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 127.557(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1855(2)
_cell_length_b                   26.7682(5)
_cell_length_c                   14.3286(4)
_cell_measurement_reflns_used    11999
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.1164
_cell_measurement_theta_min      2.9395
_cell_volume                     3401.05(16)
_computing_cell_refinement
;
CrysAlis PRO CCD (Oxford Diffraction, 2006)
;
_computing_data_collection
;
CrysAlis PRO CCD (Oxford Diffraction, 2006)
;
_computing_data_reduction
;
CrysAlis PRO RED (Oxford Diffraction, 2006)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Berndt, 1999)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 15.9149
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S Ultra'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            22346
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    1.918
_exptl_absorpt_correction_T_max  0.5533
_exptl_absorpt_correction_T_min  0.5142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[ABSPACK in CrysAlis PRO RED (Oxford Diffraction, 2006)]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6936
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0144P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0416
_refine_ls_wR_factor_ref         0.0427
_reflns_number_gt                5281
_reflns_number_total             6936
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            su2227.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2228571
_cod_database_fobs_code          2228571
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu1 0.430778(13) 0.861975(4) 0.720853(12) 0.03240(4) Uani d U 1 . .
O O1 0.19590(17) 0.81211(6) 0.63374(15) 0.0437(5) Uani d . 1 . .
O O2 0.16583(18) 0.89279(7) 0.59806(16) 0.0492(5) Uani d . 1 . .
O O3 -0.01921(19) 0.75869(7) 0.60271(16) 0.0535(5) Uani d . 1 . .
H H31 0.0624 0.7641 0.6166 0.080 Uiso d R 1 . .
O O4 -0.0800(2) 0.93598(7) 0.5290(2) 0.0750(7) Uani d . 1 . .
H H27 0.0062 0.9333 0.5499 0.113 Uiso d R 1 . .
O O5 0.34598(18) 0.83820(7) 0.52114(15) 0.0447(5) Uani d . 1 . .
O O6 0.38918(18) 0.91856(6) 0.55787(15) 0.0448(5) Uani d . 1 . .
O O7 0.2549(2) 0.80247(7) 0.32044(17) 0.0606(5) Uani d . 1 . .
H H38 0.2789 0.8021 0.3871 0.091 Uiso d R 1 . .
O O8 0.3356(3) 0.97889(7) 0.39552(19) 0.0816(7) Uani d . 1 . .
H H34 0.3566 0.9705 0.4590 0.122 Uiso d R 1 . .
O O9 0.45362(19) 0.80112(6) 0.87237(16) 0.0469(4) Uani d U 1 . .
O O10 0.34644(19) 0.87175(7) 0.84764(17) 0.0503(5) Uani d U 1 . .
O O11 0.3634(2) 0.81721(9) 0.96677(19) 0.0823(7) Uani d . 1 . .
N N1 0.5570(2) 0.77913(7) 0.73843(17) 0.0347(5) Uani d . 1 . .
N N2 0.6809(2) 0.86747(7) 0.74804(18) 0.0370(5) Uani d . 1 . .
N N3 0.4755(2) 0.95459(7) 0.79134(19) 0.0370(5) Uani d . 1 . .
N N4 0.6651(2) 0.88072(7) 0.93947(18) 0.0355(5) Uani d . 1 . .
N N5 0.3879(2) 0.82911(9) 0.8983(2) 0.0463(5) Uani d U 1 . .
C C1 0.4920(3) 0.73535(10) 0.7235(2) 0.0427(7) Uani d . 1 . .
H H1 0.3946 0.7352 0.7013 0.051 Uiso calc R 1 . .
C C2 0.5611(3) 0.68954(10) 0.7391(2) 0.0478(7) Uani d . 1 . .
H H2 0.5095 0.6598 0.7246 0.057 Uiso calc R 1 . .
C C3 0.7046(3) 0.68922(10) 0.7756(2) 0.0480(7) Uani d . 1 . .
H H3 0.7532 0.6590 0.7877 0.058 Uiso calc R 1 . .
C C4 0.7801(3) 0.73409(10) 0.7951(2) 0.0417(7) Uani d . 1 . .
C C5 0.7001(3) 0.77846(9) 0.7716(2) 0.0347(6) Uani d . 1 . .
C C6 0.9345(3) 0.73719(12) 0.8396(2) 0.0526(8) Uani d . 1 . .
H H6 0.9904 0.7080 0.8605 0.063 Uiso calc R 1 . .
C C7 1.0004(3) 0.78094(12) 0.8518(2) 0.0538(8) Uani d . 1 . .
H H7 1.1009 0.7816 0.8812 0.065 Uiso calc R 1 . .
C C8 0.9179(3) 0.82669(11) 0.8201(2) 0.0437(7) Uani d . 1 . .
C C9 0.7677(3) 0.82588(10) 0.7813(2) 0.0360(6) Uani d . 1 . .
C C10 0.7415(3) 0.91061(10) 0.7505(2) 0.0470(7) Uani d . 1 . .
H H10 0.6829 0.9393 0.7266 0.056 Uiso calc R 1 . .
C C11 0.8890(3) 0.91501(12) 0.7871(3) 0.0552(8) Uani d . 1 . .
H H11 0.9270 0.9459 0.7871 0.066 Uiso calc R 1 . .
C C12 0.9755(3) 0.87350(12) 0.8224(3) 0.0549(8) Uani d . 1 . .
H H12 1.0744 0.8761 0.8486 0.066 Uiso calc R 1 . .
C C13 0.3819(3) 0.99087(10) 0.7204(3) 0.0465(7) Uani d . 1 . .
H H13 0.3059 0.9833 0.6418 0.056 Uiso calc R 1 . .
C C14 0.3929(3) 1.03979(10) 0.7587(3) 0.0532(8) Uani d . 1 . .
H H14 0.3254 1.0640 0.7062 0.064 Uiso calc R 1 . .
C C15 0.5022(3) 1.05169(10) 0.8724(3) 0.0520(8) Uani d . 1 . .
H H15 0.5099 1.0842 0.8985 0.062 Uiso calc R 1 . .
C C16 0.6039(3) 1.01513(9) 0.9512(3) 0.0406(7) Uani d . 1 . .
C C17 0.5851(3) 0.96642(9) 0.9062(2) 0.0341(6) Uani d . 1 . .
C C18 0.6860(3) 0.92762(9) 0.9847(2) 0.0337(6) Uani d . 1 . .
C C19 0.8009(3) 0.93855(10) 1.1035(2) 0.0393(6) Uani d . 1 . .
C C20 0.8156(3) 0.98871(11) 1.1446(3) 0.0507(8) Uani d . 1 . .
H H20 0.8923 0.9962 1.2231 0.061 Uiso calc R 1 . .
C C21 0.7213(3) 1.02491(11) 1.0723(3) 0.0509(8) Uani d . 1 . .
H H21 0.7326 1.0570 1.1017 0.061 Uiso calc R 1 . .
C C22 0.8964(3) 0.89993(11) 1.1759(3) 0.0501(8) Uani d . 1 . .
H H22 0.9733 0.9060 1.2552 0.060 Uiso calc R 1 . .
C C23 0.8775(3) 0.85332(11) 1.1308(2) 0.0477(7) Uani d . 1 . .
H H23 0.9415 0.8273 1.1780 0.057 Uiso calc R 1 . .
C C24 0.7604(3) 0.84565(10) 1.0125(2) 0.0418(7) Uani d . 1 . .
H H24 0.7479 0.8137 0.9825 0.050 Uiso calc R 1 . .
C C25 0.1141(3) 0.85088(10) 0.5999(2) 0.0405(7) Uani d . 1 . .
C C26 -0.0402(3) 0.84766(10) 0.5660(2) 0.0388(7) Uani d . 1 . .
C C27 -0.1308(3) 0.89040(12) 0.5326(3) 0.0521(8) Uani d . 1 . .
C C28 -0.2734(3) 0.88738(13) 0.5031(3) 0.0586(8) Uani d . 1 . .
H H28 -0.3331 0.9158 0.4806 0.070 Uiso calc R 1 . .
C C29 -0.3250(3) 0.84196(14) 0.5077(3) 0.0586(9) Uani d . 1 . .
H H29 -0.4210 0.8400 0.4878 0.070 Uiso calc R 1 . .
C C30 -0.2418(3) 0.79931(12) 0.5402(2) 0.0516(8) Uani d . 1 . .
H H30 -0.2807 0.7690 0.5422 0.062 Uiso calc R 1 . .
C C31 -0.0983(3) 0.80167(11) 0.5701(2) 0.0414(7) Uani d . 1 . .
C C32 0.3466(3) 0.88224(11) 0.4875(2) 0.0368(6) Uani d . 1 . .
C C33 0.2975(2) 0.89004(10) 0.3666(2) 0.0361(6) Uani d . 1 . .
C C34 0.2936(3) 0.93810(11) 0.3255(3) 0.0499(7) Uani d . 1 . .
C C35 0.2441(3) 0.94544(12) 0.2110(3) 0.0641(9) Uani d . 1 . .
H H35 0.2395 0.9775 0.1840 0.077 Uiso calc R 1 . .
C C36 0.2023(3) 0.90549(13) 0.1386(3) 0.0609(8) Uani d . 1 . .
H H36 0.1703 0.9107 0.0623 0.073 Uiso calc R 1 . .
C C37 0.2059(3) 0.85796(12) 0.1748(2) 0.0520(7) Uani d . 1 . .
H H37 0.1767 0.8313 0.1235 0.062 Uiso calc R 1 . .
C C38 0.2537(3) 0.84956(10) 0.2888(2) 0.0409(7) Uani d . 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O5 Eu1 O2 . . 79.45(6) ?
O5 Eu1 O1 . . 74.99(6) ?
O2 Eu1 O1 . . 52.27(6) ?
O5 Eu1 O10 . . 143.94(6) ?
O2 Eu1 O10 . . 70.59(6) ?
O1 Eu1 O10 . . 70.97(6) ?
O5 Eu1 N1 . . 72.05(6) ?
O2 Eu1 N1 . . 134.78(6) ?
O1 Eu1 N1 . . 86.28(6) ?
O10 Eu1 N1 . . 116.47(6) ?
O5 Eu1 O6 . . 51.40(6) ?
O2 Eu1 O6 . . 71.65(5) ?
O1 Eu1 O6 . . 107.90(6) ?
O10 Eu1 O6 . . 130.72(6) ?
N1 Eu1 O6 . . 112.52(6) ?
O5 Eu1 N2 . . 78.84(6) ?
O2 Eu1 N2 . . 143.20(6) ?
O1 Eu1 N2 . . 144.89(6) ?
O10 Eu1 N2 . . 137.10(6) ?
N1 Eu1 N2 . . 63.42(6) ?
O6 Eu1 N2 . . 71.57(6) ?
O5 Eu1 O9 . . 125.11(6) ?
O2 Eu1 O9 . . 105.46(6) ?
O1 Eu1 O9 . . 67.70(6) ?
O10 Eu1 O9 . . 49.62(6) ?
N1 Eu1 O9 . . 66.85(6) ?
O6 Eu1 O9 . . 175.49(5) ?
N2 Eu1 O9 . . 111.33(6) ?
O5 Eu1 N3 . . 122.52(6) ?
O2 Eu1 N3 . . 79.83(6) ?
O1 Eu1 N3 . . 126.60(6) ?
O10 Eu1 N3 . . 71.92(6) ?
N1 Eu1 N3 . . 145.31(6) ?
O6 Eu1 N3 . . 71.23(6) ?
N2 Eu1 N3 . . 87.31(6) ?
O9 Eu1 N3 . . 111.98(6) ?
O5 Eu1 N4 . . 145.39(6) ?
O2 Eu1 N4 . . 132.12(6) ?
O1 Eu1 N4 . . 132.65(6) ?
O10 Eu1 N4 . . 70.18(6) ?
N1 Eu1 N4 . . 87.63(6) ?
O6 Eu1 N4 . . 117.73(6) ?
N2 Eu1 N4 . . 66.94(6) ?
O9 Eu1 N4 . . 66.78(6) ?
N3 Eu1 N4 . . 62.68(6) ?
O5 Eu1 C25 . . 79.24(6) ?
O2 Eu1 C25 . . 26.36(6) ?
O1 Eu1 C25 . . 26.34(6) ?
O10 Eu1 C25 . . 64.98(7) ?
N1 Eu1 C25 . . 112.06(7) ?
O6 Eu1 C25 . . 92.25(6) ?
N2 Eu1 C25 . . 157.87(7) ?
O9 Eu1 C25 . . 84.01(7) ?
N3 Eu1 C25 . . 102.00(7) ?
N4 Eu1 C25 . . 135.16(7) ?
O5 Eu1 C32 . . 25.73(6) ?
O2 Eu1 C32 . . 73.44(6) ?
O1 Eu1 C32 . . 91.15(6) ?
O10 Eu1 C32 . . 143.64(6) ?
N1 Eu1 C32 . . 92.71(7) ?
O6 Eu1 C32 . . 25.68(6) ?
N2 Eu1 C32 . . 74.09(6) ?
O9 Eu1 C32 . . 150.69(7) ?
N3 Eu1 C32 . . 96.82(7) ?
N4 Eu1 C32 . . 136.05(6) ?
C25 Eu1 C32 . . 84.81(7) ?
C25 O1 Eu1 . . 92.74(14) ?
C25 O2 Eu1 . . 93.09(15) ?
C31 O3 H31 . . 109.5 ?
C27 O4 H27 . . 109.4 ?
C32 O5 Eu1 . . 96.44(16) ?
C32 O6 Eu1 . . 92.45(15) ?
C38 O7 H38 . . 109.5 ?
C34 O8 H34 . . 109.5 ?
N5 O9 Eu1 . . 95.51(15) ?
N5 O10 Eu1 . . 98.68(14) ?
C1 N1 C5 . . 117.1(2) ?
C1 N1 Eu1 . . 122.35(16) ?
C5 N1 Eu1 . . 120.37(15) ?
C10 N2 C9 . . 117.3(2) ?
C10 N2 Eu1 . . 122.81(17) ?
C9 N2 Eu1 . . 118.85(15) ?
C13 N3 C17 . . 117.6(2) ?
C13 N3 Eu1 . . 121.43(17) ?
C17 N3 Eu1 . . 120.54(15) ?
C24 N4 C18 . . 117.0(2) ?
C24 N4 Eu1 . . 122.93(16) ?
C18 N4 Eu1 . . 119.89(16) ?
O11 N5 O9 . . 123.1(3) ?
O11 N5 O10 . . 120.8(2) ?
O9 N5 O10 . . 116.2(2) ?
O11 N5 Eu1 . . 176.5(2) ?
O9 N5 Eu1 . . 59.84(12) ?
O10 N5 Eu1 . . 56.35(12) ?
N1 C1 C2 . . 123.8(2) ?
N1 C1 H1 . . 118.1 ?
C2 C1 H1 . . 118.1 ?
C3 C2 C1 . . 118.7(3) ?
C3 C2 H2 . . 120.7 ?
C1 C2 H2 . . 120.7 ?
C2 C3 C4 . . 120.2(2) ?
C2 C3 H3 . . 119.9 ?
C4 C3 H3 . . 119.9 ?
C3 C4 C5 . . 117.6(2) ?
C3 C4 C6 . . 123.9(2) ?
C5 C4 C6 . . 118.6(3) ?
N1 C5 C4 . . 122.5(2) ?
N1 C5 C9 . . 117.2(2) ?
C4 C5 C9 . . 120.3(2) ?
C7 C6 C4 . . 121.8(3) ?
C7 C6 H6 . . 119.1 ?
C4 C6 H6 . . 119.1 ?
C6 C7 C8 . . 120.7(2) ?
C6 C7 H7 . . 119.6 ?
C8 C7 H7 . . 119.6 ?
C12 C8 C9 . . 116.3(3) ?
C12 C8 C7 . . 124.1(2) ?
C9 C8 C7 . . 119.6(2) ?
N2 C9 C8 . . 123.3(2) ?
N2 C9 C5 . . 117.9(2) ?
C8 C9 C5 . . 118.7(2) ?
N2 C10 C11 . . 123.3(3) ?
N2 C10 H10 . . 118.3 ?
C11 C10 H10 . . 118.3 ?
C12 C11 C10 . . 118.8(3) ?
C12 C11 H11 . . 120.6 ?
C10 C11 H11 . . 120.6 ?
C11 C12 C8 . . 120.9(2) ?
C11 C12 H12 . . 119.6 ?
C8 C12 H12 . . 119.6 ?
N3 C13 C14 . . 122.9(3) ?
N3 C13 H13 . . 118.5 ?
C14 C13 H13 . . 118.5 ?
C15 C14 C13 . . 119.6(3) ?
C15 C14 H14 . . 120.2 ?
C13 C14 H14 . . 120.2 ?
C14 C15 C16 . . 120.1(3) ?
C14 C15 H15 . . 120.0 ?
C16 C15 H15 . . 120.0 ?
C15 C16 C17 . . 117.1(3) ?
C15 C16 C21 . . 123.1(3) ?
C17 C16 C21 . . 119.8(3) ?
N3 C17 C16 . . 122.7(2) ?
N3 C17 C18 . . 118.5(2) ?
C16 C17 C18 . . 118.8(2) ?
N4 C18 C19 . . 122.2(2) ?
N4 C18 C17 . . 117.8(2) ?
C19 C18 C17 . . 120.0(2) ?
C22 C19 C18 . . 118.0(2) ?
C22 C19 C20 . . 123.1(3) ?
C18 C19 C20 . . 119.0(3) ?
C21 C20 C19 . . 121.4(3) ?
C21 C20 H20 . . 119.3 ?
C19 C20 H20 . . 119.3 ?
C20 C21 C16 . . 121.1(3) ?
C20 C21 H21 . . 119.4 ?
C16 C21 H21 . . 119.4 ?
C23 C22 C19 . . 120.1(3) ?
C23 C22 H22 . . 120.0 ?
C19 C22 H22 . . 120.0 ?
C22 C23 C24 . . 118.2(3) ?
C22 C23 H23 . . 120.9 ?
C24 C23 H23 . . 120.9 ?
N4 C24 C23 . . 124.5(2) ?
N4 C24 H24 . . 117.7 ?
C23 C24 H24 . . 117.7 ?
O1 C25 O2 . . 119.9(2) ?
O1 C25 C26 . . 120.1(2) ?
O2 C25 C26 . . 119.9(2) ?
O1 C25 Eu1 . . 60.92(12) ?
O2 C25 Eu1 . . 60.54(12) ?
C26 C25 Eu1 . . 165.99(18) ?
C27 C26 C31 . . 118.0(2) ?
C27 C26 C25 . . 121.2(2) ?
C31 C26 C25 . . 120.8(2) ?
O4 C27 C28 . . 118.2(3) ?
O4 C27 C26 . . 120.7(2) ?
C28 C27 C26 . . 121.1(3) ?
C29 C28 C27 . . 118.7(3) ?
C29 C28 H28 . . 120.6 ?
C27 C28 H28 . . 120.6 ?
C30 C29 C28 . . 122.8(3) ?
C30 C29 H29 . . 118.6 ?
C28 C29 H29 . . 118.6 ?
C29 C30 C31 . . 119.2(3) ?
C29 C30 H30 . . 120.4 ?
C31 C30 H30 . . 120.4 ?
O3 C31 C30 . . 117.3(2) ?
O3 C31 C26 . . 122.5(2) ?
C30 C31 C26 . . 120.2(3) ?
O6 C32 O5 . . 119.7(2) ?
O6 C32 C33 . . 121.0(2) ?
O5 C32 C33 . . 119.3(2) ?
O6 C32 Eu1 . . 61.87(13) ?
O5 C32 Eu1 . . 57.83(13) ?
C33 C32 Eu1 . . 176.62(19) ?
C34 C33 C38 . . 117.7(2) ?
C34 C33 C32 . . 121.0(2) ?
C38 C33 C32 . . 121.3(2) ?
O8 C34 C35 . . 117.9(3) ?
O8 C34 C33 . . 121.2(3) ?
C35 C34 C33 . . 120.9(3) ?
C36 C35 C34 . . 119.6(3) ?
C36 C35 H35 . . 120.2 ?
C34 C35 H35 . . 120.2 ?
C35 C36 C37 . . 121.8(3) ?
C35 C36 H36 . . 119.1 ?
C37 C36 H36 . . 119.1 ?
C36 C37 C38 . . 119.8(3) ?
C36 C37 H37 . . 120.1 ?
C38 C37 H37 . . 120.1 ?
O7 C38 C37 . . 117.9(3) ?
O7 C38 C33 . . 122.0(2) ?
C37 C38 C33 . . 120.2(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1 O5 . 2.4869(17) ?
Eu1 O2 . 2.4904(16) ?
Eu1 O1 . 2.4989(16) ?
Eu1 O10 . 2.5196(17) ?
Eu1 N1 . 2.5574(19) ?
Eu1 O6 . 2.5767(17) ?
Eu1 N2 . 2.5830(18) ?
Eu1 O9 . 2.5991(17) ?
Eu1 N3 . 2.608(2) ?
Eu1 N4 . 2.632(2) ?
Eu1 C25 . 2.856(3) ?
Eu1 C32 . 2.919(3) ?
O1 C25 . 1.269(3) ?
O2 C25 . 1.270(3) ?
O3 C31 . 1.349(3) ?
O3 H31 . 0.8199 ?
O4 C27 . 1.361(3) ?
O4 H27 . 0.8200 ?
O5 C32 . 1.275(3) ?
O6 C32 . 1.266(3) ?
O7 C38 . 1.337(3) ?
O7 H38 . 0.8200 ?
O8 C34 . 1.358(3) ?
O8 H34 . 0.8200 ?
O9 N5 . 1.254(3) ?
O10 N5 . 1.278(3) ?
O11 N5 . 1.211(3) ?
N1 C1 . 1.326(3) ?
N1 C5 . 1.365(3) ?
N2 C10 . 1.329(3) ?
N2 C9 . 1.358(3) ?
N3 C13 . 1.332(3) ?
N3 C17 . 1.361(3) ?
N4 C24 . 1.324(3) ?
N4 C18 . 1.366(3) ?
C1 C2 . 1.393(3) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.352(3) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.395(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.399(3) ?
C4 C6 . 1.433(3) ?
C5 C9 . 1.440(3) ?
C6 C7 . 1.337(4) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.430(4) ?
C7 H7 . 0.9300 ?
C8 C12 . 1.400(4) ?
C8 C9 . 1.413(3) ?
C10 C11 . 1.399(3) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.352(4) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 C14 . 1.396(3) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.350(4) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.400(4) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.412(3) ?
C16 C21 . 1.424(4) ?
C17 C18 . 1.439(3) ?
C18 C19 . 1.403(3) ?
C19 C22 . 1.391(3) ?
C19 C20 . 1.435(4) ?
C20 C21 . 1.339(4) ?
C20 H20 . 0.9300 ?
C21 H21 . 0.9300 ?
C22 C23 . 1.361(4) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.387(4) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C26 . 1.482(3) ?
C26 C27 . 1.405(3) ?
C26 C31 . 1.411(3) ?
C27 C28 . 1.381(3) ?
C28 C29 . 1.365(4) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.363(4) ?
C29 H29 . 0.9300 ?
C30 C31 . 1.387(3) ?
C30 H30 . 0.9300 ?
C32 C33 . 1.479(3) ?
C33 C34 . 1.405(3) ?
C33 C38 . 1.411(3) ?
C34 C35 . 1.390(4) ?
C35 C36 . 1.359(4) ?
C35 H35 . 0.9300 ?
C36 C37 . 1.365(4) ?
C36 H36 . 0.9300 ?
C37 C38 . 1.394(4) ?
C37 H37 . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O8 H34 O6 . 0.82 1.86 2.585(3) 148
O4 H27 O2 . 0.82 1.83 2.561(2) 148
O7 H38 O5 . 0.82 1.85 2.579(3) 147
O3 H31 O1 . 0.82 1.87 2.594(2) 147
