#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/13/4101330.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_4101330
loop_
_publ_author_name
'Ferbinteanu, Marilena'
'Kajiwara, Takashi'
'Choi, Kwang-Yong'
'Nojiri, Hiroyuki'
'Nakamoto, Akio'
'Kojima, Norimichi'
'Cimpoesu, Fanica'
'Fujimura, Yuichi'
'Takaishi, Shinya'
'Yamashita, Masahiro'
_publ_section_title
;
 A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and
 models.
;
_journal_issue                   28
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9008
_journal_page_last               9009
_journal_paper_doi               10.1021/ja062399i
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C28.5 H31.5 Dy Fe N14.5 O26'
_chemical_formula_weight         1211.53
_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                103.462(7)
_cell_angle_beta                 92.753(7)
_cell_angle_gamma                109.525(6)
_cell_formula_units_Z            2
_cell_length_a                   11.115(4)
_cell_length_b                   13.567(5)
_cell_length_c                   15.758(5)
_cell_measurement_temperature    200(2)
_cell_volume                     2157.4(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0517
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15093
_diffrn_reflns_theta_full        23.38
_diffrn_reflns_theta_max         23.38
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    2.166
_exptl_absorpt_correction_T_max  0.5610
_exptl_absorpt_correction_T_min  0.3658
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.238
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     651
_refine_ls_number_reflns         6258
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          0.114
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0625P)²+8.2668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1315
_reflns_number_gt                5511
_reflns_number_total             6258
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja062399isi20060419_012726.cif
_cod_data_source_block           DyFe_complex
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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-1
_cod_original_formula_sum        'C28.50 H31.50 Dy Fe N14.50 O26'
_cod_database_code               4101330
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
Dy1 Dy -0.13303(3) 0.62626(3) 0.81639(2) 0.02370(15) Uani 1 1 d . A .
Fe1 Fe -0.11651(9) 0.21290(8) 0.63707(6) 0.0171(2) Uani 1 1 d . . .
O1 O -0.2469(5) 0.4352(4) 0.7798(3) 0.0266(12) Uani 1 1 d . A .
O2 O 0.0182(5) 0.5255(4) 0.7821(3) 0.0297(12) Uani 1 1 d . A .
O3 O -0.1459(6) -0.0954(4) 0.5579(4) 0.0394(15) Uani 1 1 d . . .
O4 O -0.1522(6) -0.0082(4) 0.4114(3) 0.0349(13) Uani 1 1 d . . .
N1 N -0.3023(5) 0.1715(4) 0.6487(4) 0.0181(13) Uani 1 1 d . . .
N2 N -0.1146(6) 0.3477(4) 0.7136(4) 0.0181(13) Uani 1 1 d . A .
N3 N 0.0703(5) 0.2949(5) 0.6559(4) 0.0193(13) Uani 1 1 d . . .
N4 N -0.0955(6) 0.1406(5) 0.7275(4) 0.0210(13) Uani 1 1 d . . .
N5 N -0.1236(6) 0.0823(5) 0.5601(4) 0.0210(13) Uani 1 1 d . . .
N6 N -0.1389(5) 0.2538(4) 0.5265(4) 0.0187(13) Uani 1 1 d . . .
C1 C -0.3934(7) 0.0745(6) 0.6145(5) 0.0265(17) Uani 1 1 d . . .
H1 H -0.3713 0.0181 0.5787 0.032 Uiso 1 1 calc R . .
C2 C -0.5181(8) 0.0547(7) 0.6300(5) 0.0319(19) Uani 1 1 d . . .
H2 H -0.5810 -0.0154 0.6052 0.038 Uiso 1 1 calc R . .
C3 C -0.5536(7) 0.1332(6) 0.6801(5) 0.0317(19) Uani 1 1 d . . .
H3 H -0.6408 0.1193 0.6896 0.038 Uiso 1 1 calc R . .
C4 C -0.4604(7) 0.2334(7) 0.7169(5) 0.0293(18) Uani 1 1 d . . .
H4 H -0.4817 0.2899 0.7534 0.035 Uiso 1 1 calc R . .
C5 C -0.3358(7) 0.2504(6) 0.6999(4) 0.0197(15) Uani 1 1 d . A .
C6 C -0.2290(7) 0.3551(6) 0.7358(4) 0.0186(15) Uani 1 1 d . . .
C7 C 0.0009(7) 0.4327(6) 0.7381(5) 0.0237(17) Uani 1 1 d . . .
C8 C 0.1079(7) 0.4001(5) 0.7062(5) 0.0202(16) Uani 1 1 d . A .
C9 C 0.2341(8) 0.4653(6) 0.7242(5) 0.0317(19) Uani 1 1 d . . .
H5 H 0.2583 0.5377 0.7598 0.038 Uiso 1 1 calc R A .
C10 C 0.3267(8) 0.4268(7) 0.6911(6) 0.035(2) Uani 1 1 d . A .
H6 H 0.4149 0.4720 0.7003 0.041 Uiso 1 1 calc R . .
C11 C 0.2847(7) 0.3178(6) 0.6431(6) 0.037(2) Uani 1 1 d . . .
H7 H 0.3463 0.2858 0.6244 0.045 Uiso 1 1 calc R A .
C12 C 0.1591(7) 0.2583(6) 0.6233(5) 0.0246(17) Uani 1 1 d . A .
H8 H 0.1330 0.1875 0.5846 0.030 Uiso 1 1 calc R . .
C13 C -0.0767(8) 0.1806(6) 0.8158(5) 0.0285(18) Uani 1 1 d . . .
H9 H -0.0695 0.2537 0.8399 0.034 Uiso 1 1 calc R . .
C14 C -0.0677(9) 0.1194(7) 0.8715(5) 0.038(2) Uani 1 1 d . . .
H10 H -0.0550 0.1494 0.9335 0.045 Uiso 1 1 calc R . .
C15 C -0.0770(9) 0.0134(7) 0.8371(6) 0.039(2) Uani 1 1 d . . .
H11 H -0.0720 -0.0308 0.8749 0.047 Uiso 1 1 calc R . .
C16 C -0.0933(9) -0.0264(7) 0.7488(6) 0.039(2) Uani 1 1 d . . .
H12 H -0.0981 -0.0987 0.7241 0.046 Uiso 1 1 calc R . .
C17 C -0.1031(7) 0.0371(6) 0.6943(5) 0.0255(17) Uani 1 1 d . . .
C18 C -0.1260(7) -0.0009(6) 0.5965(5) 0.0254(17) Uani 1 1 d . . .
C19 C -0.1410(7) 0.0716(6) 0.4712(5) 0.0243(17) Uani 1 1 d . . .
C20 C -0.1476(7) 0.1743(6) 0.4537(5) 0.0236(17) Uani 1 1 d . . .
C21 C -0.1652(8) 0.1855(7) 0.3701(5) 0.0331(19) Uani 1 1 d . . .
H13 H -0.1702 0.1288 0.3200 0.040 Uiso 1 1 calc R . .
C22 C -0.1754(9) 0.2818(7) 0.3605(5) 0.037(2) Uani 1 1 d . . .
H14 H -0.1893 0.2917 0.3037 0.045 Uiso 1 1 calc R . .
C23 C -0.1653(8) 0.3612(7) 0.4339(5) 0.035(2) Uani 1 1 d . . .
H15 H -0.1715 0.4277 0.4285 0.043 Uiso 1 1 calc R . .
C24 C -0.1459(7) 0.3463(6) 0.5167(5) 0.0266(17) Uani 1 1 d . . .
H16 H -0.1375 0.4033 0.5674 0.032 Uiso 1 1 calc R . .
N7 N -0.1302(7) 0.5990(5) 0.9921(5) 0.0338(17) Uani 1 1 d . A .
O5 O -0.0297(6) 0.6157(5) 0.9521(4) 0.0448(15) Uani 1 1 d . A .
O6 O -0.1290(7) 0.5900(5) 1.0667(4) 0.0517(17) Uani 1 1 d . . .
O7 O -0.2293(6) 0.5952(5) 0.9473(4) 0.0425(15) Uani 1 1 d . A .
N8 N 0.0875(7) 0.8210(5) 0.8889(4) 0.0323(16) Uani 1 1 d . A .
O8 O 0.0924(5) 0.7429(4) 0.8291(4) 0.0373(14) Uani 1 1 d . A 1
O9 O 0.1828(7) 0.8941(6) 0.9313(5) 0.074(2) Uani 1 1 d . . .
O10 O -0.0238(6) 0.8135(4) 0.9089(4) 0.0349(13) Uani 1 1 d . A .
N9 N -0.3715(7) 0.6680(6) 0.8025(5) 0.0379(17) Uani 1 1 d . . .
O11 O -0.2730(6) 0.7384(5) 0.8504(4) 0.0429(15) Uani 1 1 d . A .
O12 O -0.4766(6) 0.6805(5) 0.7957(5) 0.0523(17) Uani 1 1 d . A .
O13 O -0.3606(5) 0.5786(4) 0.7601(4) 0.0381(14) Uani 1 1 d . A .
N10 N -0.1408(6) 0.6405(5) 0.6355(5) 0.0310(16) Uani 1 1 d . . .
O14 O -0.1358(6) 0.7195(4) 0.6986(4) 0.0410(15) Uani 1 1 d . A .
O15 O -0.1490(7) 0.6423(5) 0.5601(4) 0.0475(16) Uani 1 1 d . A .
O16 O -0.1345(6) 0.5583(4) 0.6592(4) 0.0393(14) Uani 1 1 d . A .
N11 N -0.4913(9) 0.2862(10) 0.4827(6) 0.060(2) Uani 1 1 d . . .
O17 O -0.4857(10) 0.1997(9) 0.4851(6) 0.091(3) Uani 1 1 d . . .
O18 O -0.4299(9) 0.3696(9) 0.5381(7) 0.099(3) Uani 1 1 d . . .
C25 C -0.5727(13) 0.2946(11) 0.4111(8) 0.074(4) Uani 1 1 d . . .
H17 H -0.5639 0.3706 0.4189 0.111 Uiso 1 1 calc R . .
H18 H -0.6628 0.2511 0.4118 0.111 Uiso 1 1 calc R . .
H19 H -0.5459 0.2678 0.3547 0.111 Uiso 1 1 calc R . .
N12 N -0.5279(12) 0.0813(10) 0.2090(8) 0.082(3) Uani 1 1 d . . .
O19 O -0.4318(13) 0.1362(13) 0.2534(10) 0.149(5) Uani 1 1 d . . .
O20 O -0.6203(12) 0.0461(14) 0.2399(9) 0.144(6) Uani 1 1 d . . .
C26 C -0.523(2) 0.0660(14) 0.1151(10) 0.137(8) Uani 1 1 d . . .
H20 H -0.6079 0.0191 0.0826 0.206 Uiso 1 1 calc R . .
H21 H -0.4594 0.0322 0.0978 0.206 Uiso 1 1 calc R . .
H22 H -0.4980 0.1365 0.1015 0.206 Uiso 1 1 calc R . .
N13 N 0.2562(11) 0.1363(10) 0.8536(7) 0.078(3) Uani 1 1 d . . .
O21 O 0.2470(14) 0.0465(9) 0.8141(7) 0.121(4) Uani 1 1 d . . .
O22 O 0.2476(13) 0.2013(11) 0.8162(8) 0.126(4) Uani 1 1 d . . .
C27 C 0.2637(13) 0.1646(10) 0.9496(7) 0.072(3) Uani 1 1 d . . .
H23 H 0.2696 0.2402 0.9711 0.108 Uiso 1 1 calc R . .
H24 H 0.3403 0.1559 0.9754 0.108 Uiso 1 1 calc R . .
H25 H 0.1864 0.1169 0.9666 0.108 Uiso 1 1 calc R . .
C28 C -0.2916(14) 0.3229(11) 1.0464(9) 0.080(4) Uani 1 1 d . B 1
H26 H -0.2930 0.2692 1.0789 0.121 Uiso 1 1 calc R B 1
H27 H -0.3574 0.3541 1.0636 0.121 Uiso 1 1 calc R B 1
H28 H -0.2065 0.3806 1.0601 0.121 Uiso 1 1 calc R B 1
O23 O -0.2589(14) 0.2980(18) 0.9063(8) 0.183(9) Uani 1 1 d . B 1
N14 N -0.315(2) 0.2771(15) 0.9637(10) 0.124(6) Uani 1 1 d . . .
O24 O -0.412(3) 0.1936(16) 0.9436(12) 0.255(14) Uani 1 1 d . B 2
N15 N -0.5144(12) 0.4770(12) 0.9538(9) 0.090(4) Uani 0.93 1 d P . .
O25 O -0.5020(19) 0.3904(17) 0.9313(14) 0.096(6) Uani 0.50 1 d P . .
O26 O -0.5299(19) 0.535(2) 0.9177(16) 0.114(8) Uani 0.50 1 d P . .
O27 O 0.2400(6) 0.7116(4) 0.8404(4) 0.0390(14) Uani 1 1 d . C 2
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'
Dy Dy -0.1892 4.4098 '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_3
O1 Dy1 O7 75.64(19) .
O1 Dy1 O16 73.32(18) .
O7 Dy1 O16 147.2(2) .
O1 Dy1 O5 89.5(2) .
O7 Dy1 O5 52.2(2) .
O16 Dy1 O5 136.8(2) .
O1 Dy1 O8 135.11(18) .
O7 Dy1 O8 120.3(2) .
O16 Dy1 O8 89.6(2) .
O5 Dy1 O8 75.0(2) .
O1 Dy1 O13 68.18(18) .
O7 Dy1 O13 80.4(2) .
O16 Dy1 O13 78.5(2) .
O5 Dy1 O13 131.8(2) .
O8 Dy1 O13 149.5(2) .
O1 Dy1 O10 158.76(18) .
O7 Dy1 O10 84.3(2) .
O16 Dy1 O10 127.60(19) .
O5 Dy1 O10 72.5(2) .
O8 Dy1 O10 51.70(19) .
O13 Dy1 O10 115.66(18) .
O1 Dy1 O14 117.42(18) .
O7 Dy1 O14 142.2(2) .
O16 Dy1 O14 51.51(18) .
O5 Dy1 O14 150.5(2) .
O8 Dy1 O14 77.1(2) .
O13 Dy1 O14 73.6(2) .
O10 Dy1 O14 82.86(19) .
O1 Dy1 O2 69.31(17) .
O7 Dy1 O2 111.0(2) .
O16 Dy1 O2 67.01(19) .
O5 Dy1 O2 69.86(19) .
O8 Dy1 O2 65.80(18) .
O13 Dy1 O2 131.09(17) .
O10 Dy1 O2 112.79(18) .
O14 Dy1 O2 106.70(19) .
O1 Dy1 O11 114.36(19) .
O7 Dy1 O11 71.3(2) .
O16 Dy1 O11 112.8(2) .
O5 Dy1 O11 110.4(2) .
O8 Dy1 O11 110.5(2) .
O13 Dy1 O11 51.71(18) .
O10 Dy1 O11 64.13(19) .
O14 Dy1 O11 71.2(2) .
O2 Dy1 O11 176.24(19) .
O1 Dy1 N7 81.75(18) .
O7 Dy1 N7 25.7(2) .
O16 Dy1 N7 151.08(18) .
O5 Dy1 N7 26.4(2) .
O8 Dy1 N7 98.1(2) .
O13 Dy1 N7 105.8(2) .
O10 Dy1 N7 77.12(19) .
O14 Dy1 N7 157.40(18) .
O2 Dy1 N7 90.81(19) .
O11 Dy1 N7 90.5(2) .
O1 Dy1 N8 154.21(19) .
O7 Dy1 N8 101.8(2) .
O16 Dy1 N8 110.7(2) .
O5 Dy1 N8 70.1(2) .
O8 Dy1 N8 25.81(18) .
O13 Dy1 N8 137.34(19) .
O10 Dy1 N8 26.01(18) .
O14 Dy1 N8 80.6(2) .
O2 Dy1 N8 88.46(18) .
O11 Dy1 N8 88.1(2) .
N7 Dy1 N8 85.80(19) .
N5 Fe1 N2 177.8(2) .
N5 Fe1 N4 83.2(2) .
N2 Fe1 N4 98.4(2) .
N5 Fe1 N3 100.6(2) .
N2 Fe1 N3 80.9(2) .
N4 Fe1 N3 90.6(2) .
N5 Fe1 N6 83.3(2) .
N2 Fe1 N6 95.1(2) .
N4 Fe1 N6 166.5(2) .
N3 Fe1 N6 91.7(2) .
N5 Fe1 N1 97.8(2) .
N2 Fe1 N1 80.8(2) .
N4 Fe1 N1 89.1(2) .
N3 Fe1 N1 161.4(2) .
N6 Fe1 N1 93.0(2) .
C6 O1 Dy1 135.1(5) .
C7 O2 Dy1 131.9(5) .
C1 N1 C5 118.4(6) .
C1 N1 Fe1 126.7(5) .
C5 N1 Fe1 114.9(5) .
C6 N2 C7 123.6(6) .
C6 N2 Fe1 118.3(5) .
C7 N2 Fe1 118.0(5) .
C12 N3 C8 118.7(6) .
C12 N3 Fe1 125.9(5) .
C8 N3 Fe1 115.4(5) .
C13 N4 C17 118.2(6) .
C13 N4 Fe1 128.3(5) .
C17 N4 Fe1 113.5(5) .
C19 N5 C18 124.0(6) .
C19 N5 Fe1 118.3(5) .
C18 N5 Fe1 117.3(5) .
C24 N6 C20 118.8(6) .
C24 N6 Fe1 128.3(5) .
C20 N6 Fe1 112.9(5) .
N1 C1 C2 121.2(7) .
C3 C2 C1 121.2(7) .
C2 C3 C4 118.4(7) .
C3 C4 C5 118.8(7) .
N1 C5 C4 122.0(7) .
N1 C5 C6 115.0(6) .
C4 C5 C6 123.0(6) .
O1 C6 N2 127.2(7) .
O1 C6 C5 121.9(6) .
N2 C6 C5 110.9(6) .
O2 C7 N2 126.5(7) .
O2 C7 C8 122.0(7) .
N2 C7 C8 111.4(6) .
C9 C8 N3 121.2(7) .
C9 C8 C7 124.8(7) .
N3 C8 C7 114.1(6) .
C8 C9 C10 120.1(7) .
C9 C10 C11 116.8(7) .
C12 C11 C10 120.8(7) .
N3 C12 C11 122.0(7) .
N4 C13 C14 122.0(7) .
C13 C14 C15 119.4(8) .
C16 C15 C14 118.8(8) .
C15 C16 C17 120.4(8) .
N4 C17 C16 121.1(7) .
N4 C17 C18 114.7(6) .
C16 C17 C18 124.2(7) .
O3 C18 N5 127.6(7) .
O3 C18 C17 121.6(7) .
N5 C18 C17 110.8(6) .
O4 C19 N5 127.6(7) .
O4 C19 C20 121.9(7) .
N5 C19 C20 110.5(6) .
N6 C20 C21 122.3(7) .
N6 C20 C19 115.0(6) .
C21 C20 C19 122.6(7) .
C20 C21 C22 118.4(7) .
C23 C22 C21 118.7(8) .
C22 C23 C24 120.6(8) .
N6 C24 C23 121.1(7) .
O6 N7 O7 122.8(7) .
O6 N7 O5 123.1(7) .
O7 N7 O5 114.1(7) .
O6 N7 Dy1 178.4(5) .
O7 N7 Dy1 56.8(4) .
O5 N7 Dy1 57.3(4) .
N7 O5 Dy1 96.3(5) .
N7 O7 Dy1 97.5(5) .
O9 N8 O8 123.1(7) .
O9 N8 O10 120.8(7) .
O8 N8 O10 115.7(6) .
O9 N8 Dy1 168.2(6) .
O8 N8 Dy1 57.5(4) .
O10 N8 Dy1 58.6(3) .
N8 O8 Dy1 96.7(4) .
N8 O10 Dy1 95.4(4) .
O12 N9 O11 123.0(7) .
O12 N9 O13 119.9(7) .
O11 N9 O13 117.0(7) .
O12 N9 Dy1 176.9(6) .
O11 N9 Dy1 59.7(4) .
O13 N9 Dy1 57.3(4) .
N9 O11 Dy1 94.8(4) .
N9 O13 Dy1 96.4(4) .
O15 N10 O14 123.3(7) .
O15 N10 O16 122.4(7) .
O14 N10 O16 114.3(6) .
O15 N10 Dy1 177.0(6) .
O14 N10 Dy1 58.3(4) .
O16 N10 Dy1 56.0(4) .
N10 O14 Dy1 96.0(4) .
N10 O16 Dy1 98.1(4) .
O17 N11 O18 122.4(11) .
O17 N11 C25 120.5(11) .
O18 N11 C25 117.1(11) .
O19 N12 O20 120.4(16) .
O19 N12 C26 114.9(16) .
O20 N12 C26 124.6(15) .
O22 N13 O21 121.6(13) .
O22 N13 C27 118.1(11) .
O21 N13 C27 120.0(12) .
O23 N14 O24 115.8(19) .
O23 N14 C28 131(2) .
O24 N14 C28 113(2) .
O26 N15 O25 134(2) .
O26 N15 N15 112(2) 2_467
O25 N15 N15 113(2) 2_467
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.386(5) .
Dy1 O7 2.428(6) .
Dy1 O16 2.430(6) .
Dy1 O5 2.435(6) .
Dy1 O8 2.445(6) .
Dy1 O13 2.455(6) .
Dy1 O10 2.469(5) .
Dy1 O14 2.483(6) .
Dy1 O2 2.504(5) .
Dy1 O11 2.511(6) .
Dy1 N7 2.877(7) .
Dy1 N8 2.879(7) .
Fe1 N5 1.874(6) .
Fe1 N2 1.935(5) .
Fe1 N4 1.954(6) .
Fe1 N3 1.969(6) .
Fe1 N6 1.977(6) .
Fe1 N1 1.980(6) .
O1 C6 1.227(8) .
O2 C7 1.233(9) .
O3 C18 1.224(9) .
O4 C19 1.224(9) .
N1 C1 1.332(9) .
N1 C5 1.353(9) .
N2 C6 1.365(9) .
N2 C7 1.372(10) .
N3 C12 1.321(9) .
N3 C8 1.372(9) .
N4 C13 1.349(9) .
N4 C17 1.351(9) .
N5 C19 1.371(10) .
N5 C18 1.374(10) .
N6 C24 1.325(10) .
N6 C20 1.354(9) .
C1 C2 1.367(11) .
C2 C3 1.353(12) .
C3 C4 1.376(11) .
C4 C5 1.377(11) .
C5 C6 1.477(10) .
C7 C8 1.472(10) .
C8 C9 1.358(11) .
C9 C10 1.374(11) .
C10 C11 1.401(11) .
C11 C12 1.336(11) .
C13 C14 1.362(12) .
C14 C15 1.380(12) .
C15 C16 1.350(12) .
C16 C17 1.375(11) .
C17 C18 1.487(11) .
C19 C20 1.507(11) .
C20 C21 1.372(11) .
C21 C22 1.390(12) .
C22 C23 1.355(12) .
C23 C24 1.384(11) .
N7 O6 1.210(9) .
N7 O7 1.259(9) .
N7 O5 1.289(9) .
N8 O9 1.213(9) .
N8 O8 1.262(8) .
N8 O10 1.268(9) .
N9 O12 1.238(9) .
N9 O11 1.252(9) .
N9 O13 1.289(8) .
N10 O15 1.193(8) .
N10 O14 1.265(8) .
N10 O16 1.278(9) .
N11 O17 1.205(13) .
N11 O18 1.214(13) .
N11 C25 1.461(14) .
N12 O19 1.157(15) .
N12 O20 1.163(14) .
N12 C26 1.451(18) .
N13 O22 1.195(14) .
N13 O21 1.200(13) .
N13 C27 1.462(15) .
C28 N14 1.278(18) .
O23 N14 1.16(2) .
N14 O24 1.24(3) .
N15 O26 1.12(2) .
N15 O25 1.20(2) .
N15 N15 1.42(3) 2_467
