#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:37:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179193 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/34/4313461.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_4313461
loop_
_publ_author_name
'Guo Dong'
'Li Yu-ting'
'Duan Chun-ying'
'Mo Hong'
'Meng Qing-jin'
_publ_contact_author_address
;
Coordination Chemistry Institute
The State Key Laboratory of Coordinaiton Chemistry
Nanjing University , Nanjing 210093
P. R. China
;
_publ_contact_author_email       duancy@nju.edu.cn
_publ_contact_author_fax         '00 86 25 331 4502'
_publ_contact_author_name        'Dr. Duan Chun-ying'
_publ_contact_author_phone       '00 86 25 359 7006'
_publ_section_title
;
 Heterodimetallic Compounds Assembled from Ferrocenedicarboxylato and
 Ferrocenecarboxylato Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2519
_journal_page_last               2530
_journal_paper_doi               10.1021/ic0205132
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C68 H72 Eu2 Fe6 N0 O19'
_chemical_formula_weight         1832.28
_chemical_name_systematic
;
  ?
;
_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                117.2293(14)
_cell_angle_beta                 105.3013(17)
_cell_angle_gamma                91.0310(19)
_cell_formula_units_Z            1
_cell_length_a                   8.7979(9)
_cell_length_b                   14.4451(14)
_cell_length_c                   15.2535(15)
_cell_measurement_reflns_used    3764
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.43
_cell_volume                     1640.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8134
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    3.242
_exptl_absorpt_correction_T_max  0.6315
_exptl_absorpt_correction_T_min  0.4456
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             914
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         5622
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0323
_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)+(0.0150P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                4886
_reflns_number_total             5622
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0205132_8.cif
_cod_data_source_block           compound_8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4313461
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
Eu1 Eu 0.29279(2) 0.554838(17) 0.457480(16) 0.02537(7) Uani 1 1 d . . .
O1W O 0.2592(3) 0.4825(2) 0.5672(2) 0.0373(8) Uani 1 1 d . . .
H1WA H 0.3202 0.4639 0.6151 0.045 Uiso 1 1 d R . .
H1WB H 0.1621 0.4500 0.5475 0.045 Uiso 1 1 d R . .
O2W O 0.0545(3) 0.4227(2) 0.3517(2) 0.0416(8) Uani 1 1 d . . .
H2WA H -0.0082 0.4243 0.2931 0.050 Uiso 1 1 d R . .
H2WB H 0.0212 0.3679 0.3727 0.050 Uiso 1 1 d R . .
Fe1 Fe 0.38233(8) 0.19641(5) 0.11811(5) 0.03547(17) Uani 1 1 d . . .
Fe2 Fe 0.00624(8) 0.91165(5) 0.63436(5) 0.03839(18) Uani 1 1 d . . .
Fe3 Fe 0.36683(9) 0.71461(6) 0.19715(6) 0.0473(2) Uani 1 1 d . . .
O1 O 0.4307(3) 0.4074(2) 0.4029(2) 0.0302(7) Uani 1 1 d . . .
O2 O 0.5801(4) 0.2847(2) 0.3891(2) 0.0393(8) Uani 1 1 d . . .
O3 O 0.0644(3) 0.6287(2) 0.5234(2) 0.0389(8) Uani 1 1 d . . .
O4 O 0.1528(3) 0.6900(2) 0.4359(2) 0.0376(8) Uani 1 1 d . . .
O5 O 0.2622(3) 0.5203(2) 0.2795(2) 0.0351(7) Uani 1 1 d . . .
O6 O 0.4842(3) 0.6173(2) 0.4011(2) 0.0368(8) Uani 1 1 d . . .
C1 C 0.4557(5) 0.3124(3) 0.3532(3) 0.0301(10) Uani 1 1 d . . .
C2 C 0.3394(5) 0.2357(3) 0.2538(3) 0.0317(11) Uani 1 1 d . . .
C3 C 0.2145(5) 0.2566(4) 0.1877(3) 0.0422(12) Uani 1 1 d . . .
H3A H 0.1815 0.3254 0.2030 0.051 Uiso 1 1 calc R . .
C4 C 0.1454(6) 0.1605(4) 0.0968(4) 0.0520(15) Uani 1 1 d . . .
H4A H 0.0575 0.1516 0.0372 0.062 Uiso 1 1 calc R . .
C5 C 0.2254(6) 0.0801(4) 0.1043(4) 0.0496(14) Uani 1 1 d . . .
H5A H 0.2030 0.0058 0.0511 0.059 Uiso 1 1 calc R . .
C6 C 0.3466(6) 0.1254(4) 0.2011(4) 0.0404(12) Uani 1 1 d . . .
H6A H 0.4216 0.0879 0.2273 0.049 Uiso 1 1 calc R . .
C7 C 0.5779(7) 0.1554(5) 0.0695(5) 0.0640(16) Uani 1 1 d . . .
H7A H 0.6361 0.0989 0.0715 0.077 Uiso 1 1 calc R . .
C8 C 0.4521(8) 0.1467(6) -0.0108(4) 0.075(2) Uani 1 1 d . . .
H8A H 0.4040 0.0816 -0.0760 0.090 Uiso 1 1 calc R . .
C9 C 0.4018(9) 0.2422(8) 0.0149(7) 0.098(3) Uani 1 1 d . . .
H9A H 0.3149 0.2580 -0.0290 0.117 Uiso 1 1 calc R . .
C10 C 0.5004(10) 0.3140(5) 0.1138(7) 0.088(2) Uani 1 1 d . . .
H10A H 0.4955 0.3894 0.1520 0.105 Uiso 1 1 calc R . .
C11 C 0.6080(7) 0.2597(6) 0.1471(4) 0.0689(19) Uani 1 1 d . . .
H11A H 0.6922 0.2899 0.2139 0.083 Uiso 1 1 calc R . .
C12 C 0.0618(5) 0.6936(4) 0.4885(3) 0.0335(11) Uani 1 1 d . . .
C13 C -0.0499(5) 0.7693(3) 0.5059(3) 0.0334(11) Uani 1 1 d . . .
C14 C -0.0584(6) 0.8508(4) 0.4777(4) 0.0422(12) Uani 1 1 d . . .
H14A H 0.0047 0.8632 0.4387 0.051 Uiso 1 1 calc R . .
C15 C -0.1714(6) 0.9110(4) 0.5167(4) 0.0474(13) Uani 1 1 d . . .
H15A H -0.1997 0.9734 0.5103 0.057 Uiso 1 1 calc R . .
C16 C -0.2358(6) 0.8679(4) 0.5677(4) 0.0515(14) Uani 1 1 d . . .
H16A H -0.3167 0.8949 0.6025 0.062 Uiso 1 1 calc R . .
C17 C -0.1606(5) 0.7811(4) 0.5625(4) 0.0389(12) Uani 1 1 d . . .
H17A H -0.1816 0.7362 0.5918 0.047 Uiso 1 1 calc R . .
C18 C 0.2228(6) 0.9157(5) 0.7243(4) 0.0574(15) Uani 1 1 d . . .
H18A H 0.2885 0.8596 0.7088 0.069 Uiso 1 1 calc R . .
C19 C 0.2263(7) 0.9992(5) 0.6996(4) 0.0671(18) Uani 1 1 d . . .
H19A H 0.2942 1.0108 0.6627 0.081 Uiso 1 1 calc R . .
C20 C 0.1158(8) 1.0618(5) 0.7373(5) 0.0717(19) Uani 1 1 d . . .
H20A H 0.0916 1.1246 0.7307 0.086 Uiso 1 1 calc R . .
C21 C 0.0451(7) 1.0196(5) 0.7855(4) 0.0700(18) Uani 1 1 d . . .
H21A H -0.0375 1.0476 0.8184 0.084 Uiso 1 1 calc R . .
C22 C 0.1109(7) 0.9317(5) 0.7788(4) 0.0608(16) Uani 1 1 d . . .
H22A H 0.0823 0.8864 0.8061 0.073 Uiso 1 1 calc R . .
C23 C 0.3938(5) 0.5789(3) 0.3085(3) 0.0313(10) Uani 1 1 d . . .
C24 C 0.4455(5) 0.6040(3) 0.2362(3) 0.0321(11) Uani 1 1 d . . .
C25 C 0.3724(6) 0.5590(4) 0.1279(4) 0.0429(12) Uani 1 1 d . . .
H25A H 0.2797 0.5026 0.0861 0.052 Uiso 1 1 calc R . .
C26 C 0.4594(6) 0.6082(4) 0.0908(4) 0.0511(14) Uani 1 1 d . . .
H26A H 0.4363 0.5930 0.0186 0.061 Uiso 1 1 calc R . .
C27 C 0.5834(6) 0.6845(4) 0.1759(4) 0.0531(15) Uani 1 1 d . . .
H27A H 0.6606 0.7319 0.1730 0.064 Uiso 1 1 calc R . .
C28 C 0.5757(5) 0.6823(4) 0.2662(4) 0.0454(13) Uani 1 1 d . . .
H28A H 0.6468 0.7272 0.3367 0.054 Uiso 1 1 calc R . .
C29 C 0.2049(13) 0.7815(8) 0.2695(9) 0.114(4) Uani 1 1 d . . .
H29A H 0.1687 0.7663 0.3177 0.137 Uiso 1 1 calc R . .
C30 C 0.3359(11) 0.8606(6) 0.2943(7) 0.104(3) Uani 1 1 d . . .
H30A H 0.4081 0.9090 0.3634 0.125 Uiso 1 1 calc R . .
C31 C 0.3386(11) 0.8552(6) 0.2021(8) 0.091(2) Uani 1 1 d . . .
H31A H 0.4162 0.8988 0.1949 0.110 Uiso 1 1 calc R . .
C32 C 0.2193(11) 0.7805(7) 0.1231(7) 0.104(3) Uani 1 1 d . . .
H32A H 0.1966 0.7613 0.0499 0.125 Uiso 1 1 calc R . .
C33 C 0.1379(9) 0.7338(7) 0.1612(9) 0.110(3) Uani 1 1 d . . .
H33A H 0.0464 0.6766 0.1197 0.133 Uiso 1 1 calc R . .
C34 C -0.1413(8) 0.5157(6) 0.1775(7) 0.132(4) Uani 1 1 d . . .
H34A H -0.1710 0.5452 0.2399 0.197 Uiso 1 1 calc R . .
H34B H -0.2358 0.4845 0.1187 0.197 Uiso 1 1 calc R . .
H34C H -0.0821 0.5704 0.1749 0.197 Uiso 1 1 calc R . .
O7 O -0.0512(6) 0.4422(5) 0.1760(4) 0.1131(18) Uani 1 1 d . . .
H7B H -0.0157 0.4083 0.1256 0.136 Uiso 1 1 d R . .
O3W O 0.3888(11) 0.8782(8) 0.5160(8) 0.110(3) Uiso 0.50 1 d P . .
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'
Fe Fe 0.3463 0.8444 '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
O2 Eu1 O1 120.41(10) 2_666 . ?
O2 Eu1 O6 79.61(10) 2_666 . ?
O1 Eu1 O6 79.65(10) . . ?
O2 Eu1 O1W 87.73(10) 2_666 . ?
O1 Eu1 O1W 78.82(10) . . ?
O6 Eu1 O1W 144.80(10) . . ?
O2 Eu1 O2W 147.89(11) 2_666 . ?
O1 Eu1 O2W 84.24(10) . . ?
O6 Eu1 O2W 128.16(10) . . ?
O1W Eu1 O2W 76.66(10) . . ?
O2 Eu1 O4 74.89(10) 2_666 . ?
O1 Eu1 O4 153.91(10) . . ?
O6 Eu1 O4 83.10(10) . . ?
O1W Eu1 O4 125.16(10) . . ?
O2W Eu1 O4 91.30(10) . . ?
O2 Eu1 O5 125.59(10) 2_666 . ?
O1 Eu1 O5 80.48(10) . . ?
O6 Eu1 O5 53.63(9) . . ?
O1W Eu1 O5 146.51(10) . . ?
O2W Eu1 O5 75.31(9) . . ?
O4 Eu1 O5 73.53(10) . . ?
O2 Eu1 O3 76.73(10) 2_666 . ?
O1 Eu1 O3 146.60(9) . . ?
O6 Eu1 O3 133.56(10) . . ?
O1W Eu1 O3 73.19(10) . . ?
O2W Eu1 O3 71.98(10) . . ?
O4 Eu1 O3 52.40(9) . . ?
O5 Eu1 O3 114.25(10) . . ?
O2 Eu1 O1 51.61(9) 2_666 2_666 ?
O1 Eu1 O1 69.17(10) . 2_666 ?
O6 Eu1 O1 74.97(9) . 2_666 ?
O1W Eu1 O1 71.48(9) . 2_666 ?
O2W Eu1 O1 141.58(10) . 2_666 ?
O4 Eu1 O1 124.57(9) . 2_666 ?
O5 Eu1 O1 124.10(9) . 2_666 ?
O3 Eu1 O1 116.92(9) . 2_666 ?
O2 Eu1 C23 102.13(12) 2_666 . ?
O1 Eu1 C23 80.58(11) . . ?
O6 Eu1 C23 26.85(10) . . ?
O1W Eu1 C23 159.38(11) . . ?
O2W Eu1 C23 102.06(11) . . ?
O4 Eu1 C23 75.24(11) . . ?
O5 Eu1 C23 26.87(10) . . ?
O3 Eu1 C23 126.45(11) . . ?
O1 Eu1 C23 100.37(11) 2_666 . ?
O2 Eu1 C12 72.95(11) 2_666 . ?
O1 Eu1 C12 166.14(10) . . ?
O6 Eu1 C12 108.02(12) . . ?
O1W Eu1 C12 99.20(12) . . ?
O2W Eu1 C12 81.97(11) . . ?
O4 Eu1 C12 26.06(10) . . ?
O5 Eu1 C12 94.67(11) . . ?
O3 Eu1 C12 26.39(10) . . ?
O1 Eu1 C12 123.50(10) 2_666 . ?
C23 Eu1 C12 100.99(13) . . ?
O2 Eu1 C1 25.17(11) 2_666 2_666 ?
O1 Eu1 C1 95.46(12) . 2_666 ?
O6 Eu1 C1 76.18(10) . 2_666 ?
O1W Eu1 C1 78.51(10) . 2_666 ?
O2W Eu1 C1 154.75(11) . 2_666 ?
O4 Eu1 C1 99.26(12) . 2_666 ?
O5 Eu1 C1 129.66(10) . 2_666 ?
O3 Eu1 C1 96.46(11) . 2_666 ?
O1 Eu1 C1 26.44(10) 2_666 2_666 ?
C23 Eu1 C1 102.80(12) . 2_666 ?
C12 Eu1 C1 97.59(12) . 2_666 ?
C9 Fe1 C10 40.6(3) . . ?
C9 Fe1 C11 67.5(3) . . ?
C10 Fe1 C11 40.1(3) . . ?
C9 Fe1 C2 147.1(3) . . ?
C10 Fe1 C2 115.1(3) . . ?
C11 Fe1 C2 109.3(2) . . ?
C9 Fe1 C3 114.5(3) . . ?
C10 Fe1 C3 107.3(2) . . ?
C11 Fe1 C3 131.0(2) . . ?
C2 Fe1 C3 41.14(17) . . ?
C9 Fe1 C8 39.6(3) . . ?
C10 Fe1 C8 67.0(3) . . ?
C11 Fe1 C8 66.5(2) . . ?
C2 Fe1 C8 171.4(3) . . ?
C3 Fe1 C8 147.3(3) . . ?
C9 Fe1 C6 170.2(3) . . ?
C10 Fe1 C6 148.6(3) . . ?
C11 Fe1 C6 117.7(2) . . ?
C2 Fe1 C6 41.31(17) . . ?
C3 Fe1 C6 69.1(2) . . ?
C8 Fe1 C6 132.9(3) . . ?
C9 Fe1 C4 108.3(3) . . ?
C10 Fe1 C4 130.4(3) . . ?
C11 Fe1 C4 169.2(3) . . ?
C2 Fe1 C4 68.42(18) . . ?
C3 Fe1 C4 40.53(18) . . ?
C8 Fe1 C4 117.2(2) . . ?
C6 Fe1 C4 68.1(2) . . ?
C9 Fe1 C7 67.1(3) . . ?
C10 Fe1 C7 67.4(3) . . ?
C11 Fe1 C7 40.0(2) . . ?
C2 Fe1 C7 132.7(2) . . ?
C3 Fe1 C7 170.5(2) . . ?
C8 Fe1 C7 39.3(2) . . ?
C6 Fe1 C7 111.0(2) . . ?
C4 Fe1 C7 148.9(2) . . ?
C9 Fe1 C5 131.0(3) . . ?
C10 Fe1 C5 169.2(3) . . ?
C11 Fe1 C5 150.0(3) . . ?
C2 Fe1 C5 68.66(18) . . ?
C3 Fe1 C5 68.3(2) . . ?
C8 Fe1 C5 110.9(2) . . ?
C6 Fe1 C5 40.54(18) . . ?
C4 Fe1 C5 40.1(2) . . ?
C7 Fe1 C5 118.3(2) . . ?
C18 Fe2 C17 120.3(2) . . ?
C18 Fe2 C19 41.2(2) . . ?
C17 Fe2 C19 158.0(3) . . ?
C18 Fe2 C13 106.8(2) . . ?
C17 Fe2 C13 41.40(17) . . ?
C19 Fe2 C13 123.0(2) . . ?
C18 Fe2 C20 68.4(2) . . ?
C17 Fe2 C20 158.6(3) . . ?
C19 Fe2 C20 40.3(2) . . ?
C13 Fe2 C20 159.5(3) . . ?
C18 Fe2 C22 40.7(2) . . ?
C17 Fe2 C22 105.7(2) . . ?
C19 Fe2 C22 68.0(2) . . ?
C13 Fe2 C22 123.0(2) . . ?
C20 Fe2 C22 67.1(2) . . ?
C18 Fe2 C21 68.1(2) . . ?
C17 Fe2 C21 121.7(2) . . ?
C19 Fe2 C21 67.8(3) . . ?
C13 Fe2 C21 158.5(2) . . ?
C20 Fe2 C21 40.1(2) . . ?
C22 Fe2 C21 39.6(2) . . ?
C18 Fe2 C14 125.1(2) . . ?
C17 Fe2 C14 68.93(19) . . ?
C19 Fe2 C14 109.8(2) . . ?
C13 Fe2 C14 41.08(17) . . ?
C20 Fe2 C14 124.3(2) . . ?
C22 Fe2 C14 161.0(2) . . ?
C21 Fe2 C14 158.6(2) . . ?
C18 Fe2 C15 162.2(2) . . ?
C17 Fe2 C15 68.24(19) . . ?
C19 Fe2 C15 125.9(2) . . ?
C13 Fe2 C15 68.48(19) . . ?
C20 Fe2 C15 109.7(2) . . ?
C22 Fe2 C15 156.3(2) . . ?
C21 Fe2 C15 122.6(2) . . ?
C14 Fe2 C15 40.26(18) . . ?
C18 Fe2 C16 155.8(2) . . ?
C17 Fe2 C16 40.54(18) . . ?
C19 Fe2 C16 160.9(3) . . ?
C13 Fe2 C16 68.68(19) . . ?
C20 Fe2 C16 124.0(2) . . ?
C22 Fe2 C16 120.5(2) . . ?
C21 Fe2 C16 107.0(2) . . ?
C14 Fe2 C16 68.0(2) . . ?
C15 Fe2 C16 40.20(18) . . ?
C33 Fe3 C25 107.5(3) . . ?
C33 Fe3 C24 124.4(3) . . ?
C25 Fe3 C24 41.18(16) . . ?
C33 Fe3 C31 66.7(3) . . ?
C25 Fe3 C31 155.2(3) . . ?
C24 Fe3 C31 161.9(3) . . ?
C33 Fe3 C29 40.9(3) . . ?
C25 Fe3 C29 124.1(3) . . ?
C24 Fe3 C29 109.5(2) . . ?
C31 Fe3 C29 68.5(3) . . ?
C33 Fe3 C30 68.5(4) . . ?
C25 Fe3 C30 163.1(3) . . ?
C24 Fe3 C30 126.5(3) . . ?
C31 Fe3 C30 39.9(3) . . ?
C29 Fe3 C30 42.1(3) . . ?
C33 Fe3 C26 122.1(4) . . ?
C25 Fe3 C26 40.88(17) . . ?
C24 Fe3 C26 68.56(18) . . ?
C31 Fe3 C26 119.9(3) . . ?
C29 Fe3 C26 159.5(4) . . ?
C30 Fe3 C26 155.4(3) . . ?
C33 Fe3 C32 39.6(3) . . ?
C25 Fe3 C32 121.2(3) . . ?
C24 Fe3 C32 158.5(3) . . ?
C31 Fe3 C32 38.9(3) . . ?
C29 Fe3 C32 67.9(3) . . ?
C30 Fe3 C32 66.9(3) . . ?
C26 Fe3 C32 106.1(3) . . ?
C33 Fe3 C27 157.5(4) . . ?
C25 Fe3 C27 68.7(2) . . ?
C24 Fe3 C27 68.27(18) . . ?
C31 Fe3 C27 106.9(3) . . ?
C29 Fe3 C27 159.3(4) . . ?
C30 Fe3 C27 121.5(3) . . ?
C26 Fe3 C27 40.6(2) . . ?
C32 Fe3 C27 122.0(3) . . ?
C33 Fe3 C28 160.8(3) . . ?
C25 Fe3 C28 69.1(2) . . ?
C24 Fe3 C28 40.81(17) . . ?
C31 Fe3 C28 124.3(3) . . ?
C29 Fe3 C28 124.3(3) . . ?
C30 Fe3 C28 108.9(3) . . ?
C26 Fe3 C28 68.5(2) . . ?
C32 Fe3 C28 158.5(3) . . ?
C27 Fe3 C28 40.47(18) . . ?
C1 O1 Eu1 160.2(3) . . ?
C1 O1 Eu1 88.0(2) . 2_666 ?
Eu1 O1 Eu1 110.83(10) . 2_666 ?
C1 O2 Eu1 100.7(3) . 2_666 ?
C12 O3 Eu1 91.8(3) . . ?
C12 O4 Eu1 96.2(3) . . ?
C23 O5 Eu1 91.7(2) . . ?
C23 O6 Eu1 94.1(2) . . ?
O2 C1 O1 119.7(4) . . ?
O2 C1 C2 119.5(4) . . ?
O1 C1 C2 120.8(4) . . ?
O2 C1 Eu1 54.1(2) . 2_666 ?
O1 C1 Eu1 65.6(2) . 2_666 ?
C2 C1 Eu1 173.5(3) . 2_666 ?
C3 C2 C6 107.5(4) . . ?
C3 C2 C1 127.9(4) . . ?
C6 C2 C1 124.2(4) . . ?
C3 C2 Fe1 69.4(2) . . ?
C6 C2 Fe1 69.8(2) . . ?
C1 C2 Fe1 120.8(3) . . ?
C4 C3 C2 107.7(5) . . ?
C4 C3 Fe1 70.5(3) . . ?
C2 C3 Fe1 69.4(3) . . ?
C5 C4 C3 109.0(5) . . ?
C5 C4 Fe1 70.4(3) . . ?
C3 C4 Fe1 69.0(3) . . ?
C4 C5 C6 108.1(5) . . ?
C4 C5 Fe1 69.6(3) . . ?
C6 C5 Fe1 69.1(3) . . ?
C5 C6 C2 107.6(5) . . ?
C5 C6 Fe1 70.4(3) . . ?
C2 C6 Fe1 68.9(2) . . ?
C8 C7 C11 107.1(6) . . ?
C8 C7 Fe1 69.8(3) . . ?
C11 C7 Fe1 69.1(3) . . ?
C9 C8 C7 109.6(6) . . ?
C9 C8 Fe1 69.4(4) . . ?
C7 C8 Fe1 70.8(3) . . ?
C8 C9 C10 107.5(7) . . ?
C8 C9 Fe1 71.0(4) . . ?
C10 C9 Fe1 69.8(4) . . ?
C11 C10 C9 107.4(7) . . ?
C11 C10 Fe1 70.3(3) . . ?
C9 C10 Fe1 69.6(4) . . ?
C10 C11 C7 108.5(6) . . ?
C10 C11 Fe1 69.7(4) . . ?
C7 C11 Fe1 70.9(3) . . ?
O4 C12 O3 119.4(4) . . ?
O4 C12 C13 120.2(4) . . ?
O3 C12 C13 120.4(4) . . ?
O4 C12 Eu1 57.7(2) . . ?
O3 C12 Eu1 61.8(2) . . ?
C13 C12 Eu1 176.9(3) . . ?
C14 C13 C17 107.2(4) . . ?
C14 C13 C12 126.4(4) . . ?
C17 C13 C12 126.2(4) . . ?
C14 C13 Fe2 70.1(3) . . ?
C17 C13 Fe2 69.2(3) . . ?
C12 C13 Fe2 121.7(3) . . ?
C15 C14 C13 107.9(4) . . ?
C15 C14 Fe2 70.0(3) . . ?
C13 C14 Fe2 68.8(3) . . ?
C14 C15 C16 108.9(4) . . ?
C14 C15 Fe2 69.7(3) . . ?
C16 C15 Fe2 70.1(3) . . ?
C15 C16 C17 108.0(5) . . ?
C15 C16 Fe2 69.7(3) . . ?
C17 C16 Fe2 68.6(3) . . ?
C16 C17 C13 108.0(4) . . ?
C16 C17 Fe2 70.9(3) . . ?
C13 C17 Fe2 69.4(2) . . ?
C22 C18 C19 106.5(5) . . ?
C22 C18 Fe2 70.3(3) . . ?
C19 C18 Fe2 69.6(3) . . ?
C20 C19 C18 107.6(5) . . ?
C20 C19 Fe2 70.1(3) . . ?
C18 C19 Fe2 69.2(3) . . ?
C21 C20 C19 108.6(6) . . ?
C21 C20 Fe2 70.3(3) . . ?
C19 C20 Fe2 69.6(3) . . ?
C22 C21 C20 108.2(6) . . ?
C22 C21 Fe2 70.0(3) . . ?
C20 C21 Fe2 69.7(3) . . ?
C21 C22 C18 109.0(6) . . ?
C21 C22 Fe2 70.3(3) . . ?
C18 C22 Fe2 69.0(3) . . ?
O5 C23 O6 120.1(4) . . ?
O5 C23 C24 121.3(4) . . ?
O6 C23 C24 118.6(4) . . ?
O5 C23 Eu1 61.4(2) . . ?
O6 C23 Eu1 59.1(2) . . ?
C24 C23 Eu1 173.7(3) . . ?
C28 C24 C25 108.4(4) . . ?
C28 C24 C23 124.5(4) . . ?
C25 C24 C23 127.0(4) . . ?
C28 C24 Fe3 70.4(3) . . ?
C25 C24 Fe3 69.0(3) . . ?
C23 C24 Fe3 124.4(3) . . ?
C26 C25 C24 107.6(4) . . ?
C26 C25 Fe3 70.4(3) . . ?
C24 C25 Fe3 69.9(3) . . ?
C27 C26 C25 108.1(4) . . ?
C27 C26 Fe3 70.0(3) . . ?
C25 C26 Fe3 68.7(3) . . ?
C26 C27 C28 108.5(4) . . ?
C26 C27 Fe3 69.4(3) . . ?
C28 C27 Fe3 69.9(3) . . ?
C27 C28 C24 107.3(4) . . ?
C27 C28 Fe3 69.7(3) . . ?
C24 C28 Fe3 68.8(3) . . ?
C33 C29 C30 104.8(7) . . ?
C33 C29 Fe3 68.8(4) . . ?
C30 C29 Fe3 69.0(4) . . ?
C31 C30 C29 106.9(8) . . ?
C31 C30 Fe3 70.0(4) . . ?
C29 C30 Fe3 68.9(4) . . ?
C32 C31 C30 109.8(8) . . ?
C32 C31 Fe3 70.9(4) . . ?
C30 C31 Fe3 70.1(4) . . ?
C31 C32 C33 109.1(9) . . ?
C31 C32 Fe3 70.2(4) . . ?
C33 C32 Fe3 69.1(4) . . ?
C32 C33 C29 109.4(8) . . ?
C32 C33 Fe3 71.3(4) . . ?
C29 C33 Fe3 70.2(4) . . ?
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
Eu1 O2 2.379(3) 2_666 ?
Eu1 O1 2.389(3) . ?
Eu1 O6 2.409(3) . ?
Eu1 O1W 2.415(3) . ?
Eu1 O2W 2.428(3) . ?
Eu1 O4 2.429(3) . ?
Eu1 O5 2.461(3) . ?
Eu1 O3 2.519(3) . ?
Eu1 O1 2.628(3) 2_666 ?
Eu1 C23 2.802(4) . ?
Eu1 C12 2.856(5) . ?
Eu1 C1 2.885(4) 2_666 ?
Fe1 C9 2.009(6) . ?
Fe1 C10 2.011(6) . ?
Fe1 C11 2.019(5) . ?
Fe1 C2 2.023(4) . ?
Fe1 C3 2.023(5) . ?
Fe1 C8 2.029(5) . ?
Fe1 C6 2.035(4) . ?
Fe1 C4 2.042(5) . ?
Fe1 C7 2.042(5) . ?
Fe1 C5 2.053(5) . ?
Fe2 C18 2.015(5) . ?
Fe2 C17 2.017(4) . ?
Fe2 C19 2.021(5) . ?
Fe2 C13 2.020(4) . ?
Fe2 C20 2.027(5) . ?
Fe2 C22 2.031(5) . ?
Fe2 C21 2.034(6) . ?
Fe2 C14 2.037(5) . ?
Fe2 C15 2.041(5) . ?
Fe2 C16 2.047(5) . ?
Fe3 C33 2.002(7) . ?
Fe3 C25 2.008(5) . ?
Fe3 C24 2.019(4) . ?
Fe3 C31 2.021(6) . ?
Fe3 C29 2.021(7) . ?
Fe3 C30 2.022(7) . ?
Fe3 C26 2.030(5) . ?
Fe3 C32 2.030(7) . ?
Fe3 C27 2.038(5) . ?
Fe3 C28 2.040(5) . ?
O1 C1 1.285(5) . ?
O1 Eu1 2.628(3) 2_666 ?
O2 C1 1.248(5) . ?
O2 Eu1 2.379(3) 2_666 ?
O3 C12 1.270(5) . ?
O4 C12 1.262(5) . ?
O5 C23 1.267(5) . ?
O6 C23 1.269(5) . ?
C1 C2 1.475(6) . ?
C1 Eu1 2.885(4) 2_666 ?
C2 C3 1.421(6) . ?
C2 C6 1.431(6) . ?
C3 C4 1.408(6) . ?
C4 C5 1.402(7) . ?
C5 C6 1.416(6) . ?
C7 C8 1.370(8) . ?
C7 C11 1.389(8) . ?
C8 C9 1.369(9) . ?
C9 C10 1.396(10) . ?
C10 C11 1.381(9) . ?
C12 C13 1.464(6) . ?
C13 C14 1.423(6) . ?
C13 C17 1.427(6) . ?
C14 C15 1.403(7) . ?
C15 C16 1.405(6) . ?
C16 C17 1.408(7) . ?
C18 C22 1.407(7) . ?
C18 C19 1.421(8) . ?
C19 C20 1.394(8) . ?
C20 C21 1.391(8) . ?
C21 C22 1.378(8) . ?
C23 C24 1.477(5) . ?
C24 C28 1.415(6) . ?
C24 C25 1.416(6) . ?
C25 C26 1.410(6) . ?
C26 C27 1.411(7) . ?
C27 C28 1.411(6) . ?
C29 C33 1.407(11) . ?
C29 C30 1.451(10) . ?
C30 C31 1.380(10) . ?
C31 C32 1.349(10) . ?
C32 C33 1.365(9) . ?
C34 O7 1.332(8) . ?
