#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:57:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179770 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/66/7006608.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_7006608
loop_
_publ_author_name
'Zhang, Jie'
'Cai, Ruifang'
'Weng, Linhong'
'Zhou, Xigeng'
_publ_section_title
;
 Unusual modification methods for the ureido ligand of lanthanocene
 derivatives.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1168
_journal_page_last               1173
_journal_paper_doi               10.1039/b512200g
_journal_year                    2006
_chemical_formula_sum            'C54 H58 Dy2 N4 O4 S2'
_chemical_formula_weight         1216.16
_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                115.574(4)
_cell_angle_beta                 101.615(4)
_cell_angle_gamma                100.959(5)
_cell_formula_units_Z            1
_cell_length_a                   11.181(4)
_cell_length_b                   11.410(4)
_cell_length_c                   12.070(4)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.959
_cell_measurement_theta_min      2.370
_cell_volume                     1291.9(8)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5404
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        12.62
_exptl_absorpt_coefficient_mu    2.998
_exptl_absorpt_correction_T_max  0.5211
_exptl_absorpt_correction_T_min  0.3802
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             606
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.668
_refine_diff_density_min         -2.420
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4472
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0516
_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)+(0.0858P)²+0.1121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1409
_reflns_number_gt                3854
_reflns_number_total             4472
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512200g.txt
_cod_data_source_block           f40618a
_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_cell_volume        1292.0(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006608
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 0.51488(3) -0.07258(3) 0.62268(3) 0.03580(16) Uani 1 1 d . . .
S1 S 0.2233(2) 0.0966(3) 0.6327(3) 0.0566(6) Uani 1 1 d . . .
N1 N 0.3094(6) 0.1446(6) 0.4528(6) 0.0404(15) Uani 1 1 d . . .
N2 N 0.1706(11) 0.6526(10) 0.8695(9) 0.098(4) Uani 1 1 d . . .
H2B H 0.0965 0.6639 0.8529 0.117 Uiso 1 1 calc R . .
H2C H 0.2376 0.7220 0.9218 0.117 Uiso 1 1 calc R . .
O1 O 0.4012(5) 0.0318(5) 0.5323(5) 0.0415(12) Uani 1 1 d . . .
C1 C 0.4367(12) -0.3157(11) 0.5994(15) 0.088(4) Uani 1 1 d . . .
H1A H 0.4886 -0.3548 0.6409 0.106 Uiso 1 1 calc R . .
C2 C 0.4153(10) -0.3416(10) 0.4739(15) 0.079(4) Uani 1 1 d . . .
H2A H 0.4514 -0.4002 0.4120 0.095 Uiso 1 1 calc R . .
C3 C 0.3206(11) -0.2910(10) 0.4443(11) 0.072(3) Uani 1 1 d . . .
H3A H 0.2784 -0.3071 0.3573 0.086 Uiso 1 1 calc R . .
C4 C 0.2779(10) -0.2369(10) 0.5471(14) 0.073(3) Uani 1 1 d . . .
H4A H 0.2003 -0.2089 0.5460 0.087 Uiso 1 1 calc R . .
C5 C 0.3504(15) -0.2501(13) 0.6468(14) 0.100(5) Uani 1 1 d . . .
H5A H 0.3311 -0.2357 0.7265 0.120 Uiso 1 1 calc R . .
C6 C 0.5970(13) 0.0215(11) 0.8750(9) 0.073(3) Uani 1 1 d . . .
H6A H 0.5778 -0.0312 0.9190 0.088 Uiso 1 1 calc R . .
C7 C 0.5286(12) 0.1088(13) 0.8565(9) 0.077(3) Uani 1 1 d . . .
H7A H 0.4559 0.1281 0.8867 0.092 Uiso 1 1 calc R . .
C8 C 0.6042(12) 0.1840(10) 0.8148(10) 0.072(3) Uani 1 1 d . . .
H8A H 0.5897 0.2627 0.8074 0.086 Uiso 1 1 calc R . .
C9 C 0.7121(10) 0.1457(10) 0.8075(9) 0.062(3) Uani 1 1 d . . .
H9A H 0.7867 0.1918 0.7942 0.074 Uiso 1 1 calc R . .
C10 C 0.7059(10) 0.0445(11) 0.8440(9) 0.065(3) Uani 1 1 d . . .
H10A H 0.7766 0.0086 0.8604 0.078 Uiso 1 1 calc R . .
C11 C 0.3171(7) 0.0941(7) 0.5283(8) 0.0372(17) Uani 1 1 d . . .
C12 C 0.2086(7) 0.1950(8) 0.4237(8) 0.0415(18) Uani 1 1 d . . .
C13 C 0.0870(8) 0.1098(9) 0.3498(9) 0.051(2) Uani 1 1 d . . .
H13A H 0.0681 0.0163 0.3202 0.061 Uiso 1 1 calc R . .
C14 C -0.0092(9) 0.1626(11) 0.3185(9) 0.062(2) Uani 1 1 d . . .
H14A H -0.0919 0.1034 0.2675 0.074 Uiso 1 1 calc R . .
C15 C 0.0150(10) 0.2986(12) 0.3608(12) 0.068(3) Uani 1 1 d . . .
H15A H -0.0503 0.3326 0.3400 0.082 Uiso 1 1 calc R . .
C16 C 0.1352(11) 0.3833(12) 0.4332(13) 0.078(3) Uani 1 1 d . . .
H16A H 0.1516 0.4767 0.4636 0.093 Uiso 1 1 calc R . .
C17 C 0.2359(9) 0.3355(8) 0.4641(10) 0.057(2) Uani 1 1 d . . .
H17A H 0.3192 0.3952 0.5104 0.068 Uiso 1 1 calc R . .
C18 C 0.2091(9) 0.2621(9) 0.6948(9) 0.050(2) Uani 1 1 d . . .
C19 C 0.0888(10) 0.2806(10) 0.6724(9) 0.060(2) Uani 1 1 d . . .
H19A H 0.0154 0.2055 0.6195 0.072 Uiso 1 1 calc R . .
C20 C 0.0788(11) 0.4125(11) 0.7300(10) 0.070(3) Uani 1 1 d . . .
H20A H -0.0013 0.4246 0.7111 0.084 Uiso 1 1 calc R . .
C21 C 0.1821(12) 0.5222(12) 0.8118(9) 0.069(3) Uani 1 1 d . . .
C22 C 0.3011(12) 0.5029(12) 0.8337(10) 0.076(3) Uani 1 1 d . . .
H22A H 0.3742 0.5779 0.8884 0.092 Uiso 1 1 calc R . .
C23 C 0.3128(10) 0.3731(10) 0.7752(9) 0.064(3) Uani 1 1 d . . .
H23A H 0.3937 0.3622 0.7917 0.076 Uiso 1 1 calc R . .
O2 O 0.9310(19) 0.694(2) 0.9397(17) 0.201(7) Uiso 1 1 d . . .
C24 C 0.869(4) 0.816(4) 0.966(3) 0.274(16) Uiso 1 1 d . . .
H24A H 0.9076 0.8898 1.0552 0.328 Uiso 1 1 calc R . .
H24B H 0.8791 0.8532 0.9083 0.328 Uiso 1 1 calc R . .
C25 C 0.733(3) 0.747(4) 0.939(3) 0.230(13) Uiso 1 1 d . . .
H25A H 0.7079 0.7964 1.0142 0.276 Uiso 1 1 calc R . .
H25B H 0.6814 0.7527 0.8674 0.276 Uiso 1 1 calc R . .
C26 C 0.704(3) 0.614(4) 0.909(3) 0.251(15) Uiso 1 1 d . . .
H26A H 0.6450 0.5545 0.8212 0.301 Uiso 1 1 calc R . .
H26B H 0.6650 0.5982 0.9686 0.301 Uiso 1 1 calc R . .
C27 C 0.835(3) 0.588(3) 0.922(3) 0.197(10) Uiso 1 1 d . . .
H27A H 0.8572 0.5719 0.9954 0.237 Uiso 1 1 calc R . .
H27B H 0.8273 0.5056 0.8449 0.237 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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O1 66.84(19) . 2_656 ?
O1 Dy1 N1 119.97(19) . 2_656 ?
O1 Dy1 N1 53.28(18) 2_656 2_656 ?
O1 Dy1 C1 128.7(3) . . ?
O1 Dy1 C1 123.2(4) 2_656 . ?
N1 Dy1 C1 85.8(4) 2_656 . ?
O1 Dy1 C5 108.2(5) . . ?
O1 Dy1 C5 143.7(3) 2_656 . ?
N1 Dy1 C5 116.6(4) 2_656 . ?
C1 Dy1 C5 30.9(4) . . ?
O1 Dy1 C7 90.6(3) . . ?
O1 Dy1 C7 127.9(3) 2_656 . ?
N1 Dy1 C7 128.0(3) 2_656 . ?
C1 Dy1 C7 107.8(5) . . ?
C5 Dy1 C7 86.9(4) . . ?
O1 Dy1 C6 122.0(3) . . ?
O1 Dy1 C6 135.8(3) 2_656 . ?
N1 Dy1 C6 104.7(3) 2_656 . ?
C1 Dy1 C6 86.7(4) . . ?
C5 Dy1 C6 78.7(4) . . ?
C7 Dy1 C6 31.5(3) . . ?
O1 Dy1 C3 81.2(3) . . ?
O1 Dy1 C3 94.7(3) 2_656 . ?
N1 Dy1 C3 98.5(3) 2_656 . ?
C1 Dy1 C3 49.7(4) . . ?
C5 Dy1 C3 49.9(4) . . ?
C7 Dy1 C3 129.0(4) . . ?
C6 Dy1 C3 128.5(4) . . ?
O1 Dy1 C10 128.2(3) . . ?
O1 Dy1 C10 107.7(3) 2_656 . ?
N1 Dy1 C10 78.4(3) 2_656 . ?
C1 Dy1 C10 98.5(4) . . ?
C5 Dy1 C10 102.8(5) . . ?
C7 Dy1 C10 50.4(3) . . ?
C6 Dy1 C10 29.7(3) . . ?
C3 Dy1 C10 148.1(4) . . ?
O1 Dy1 C2 109.0(3) . . ?
O1 Dy1 C2 95.9(3) 2_656 . ?
N1 Dy1 C2 75.7(3) 2_656 . ?
C1 Dy1 C2 30.2(4) . . ?
C5 Dy1 C2 50.1(4) . . ?
C7 Dy1 C2 136.1(5) . . ?
C6 Dy1 C2 116.7(4) . . ?
C3 Dy1 C2 29.7(4) . . ?
C10 Dy1 C2 122.8(4) . . ?
O1 Dy1 C4 80.2(3) . . ?
O1 Dy1 C4 120.2(3) 2_656 . ?
N1 Dy1 C4 124.9(3) 2_656 . ?
C1 Dy1 C4 50.3(4) . . ?
C5 Dy1 C4 30.6(4) . . ?
C7 Dy1 C4 99.3(4) . . ?
C6 Dy1 C4 103.9(4) . . ?
C3 Dy1 C4 29.7(3) . . ?
C10 Dy1 C4 131.6(4) . . ?
C2 Dy1 C4 49.4(3) . . ?
O1 Dy1 C8 79.0(3) . . ?
O1 Dy1 C8 97.3(3) 2_656 . ?
N1 Dy1 C8 110.2(3) 2_656 . ?
C1 Dy1 C8 136.5(5) . . ?
C5 Dy1 C8 117.6(4) . . ?
C7 Dy1 C8 30.8(4) . . ?
C6 Dy1 C8 50.6(3) . . ?
C3 Dy1 C8 150.6(4) . . ?
C10 Dy1 C8 49.7(3) . . ?
C2 Dy1 C8 166.5(4) . . ?
C4 Dy1 C8 124.4(4) . . ?
C18 S1 C11 103.0(4) . . ?
C11 N1 C12 123.4(7) . . ?
C11 N1 Dy1 93.7(5) . 2_656 ?
C12 N1 Dy1 141.7(5) . 2_656 ?
C21 N2 H2B 120.0 . . ?
C21 N2 H2C 120.0 . . ?
H2B N2 H2C 120.0 . . ?
C11 O1 Dy1 151.5(5) . . ?
C11 O1 Dy1 94.8(4) . 2_656 ?
Dy1 O1 Dy1 113.16(19) . 2_656 ?
C2 C1 C5 107.7(11) . . ?
C2 C1 Dy1 76.3(6) . . ?
C5 C1 Dy1 74.8(6) . . ?
C2 C1 H1A 125.5 . . ?
C5 C1 H1A 125.5 . . ?
Dy1 C1 H1A 125.5 . . ?
C3 C2 C1 108.2(11) . . ?
C3 C2 Dy1 74.9(6) . . ?
C1 C2 Dy1 73.6(6) . . ?
C3 C2 H2A 125.5 . . ?
C1 C2 H2A 125.5 . . ?
Dy1 C2 H2A 125.5 . . ?
C4 C3 C2 109.4(12) . . ?
C4 C3 Dy1 75.4(6) . . ?
C2 C3 Dy1 75.4(6) . . ?
C4 C3 H3A 124.8 . . ?
C2 C3 H3A 124.8 . . ?
Dy1 C3 H3A 124.8 . . ?
C3 C4 C5 107.8(11) . . ?
C3 C4 Dy1 74.9(6) . . ?
C5 C4 Dy1 73.6(6) . . ?
C3 C4 H4A 125.7 . . ?
C5 C4 H4A 125.7 . . ?
Dy1 C4 H4A 125.7 . . ?
C4 C5 C1 106.8(11) . . ?
C4 C5 Dy1 75.8(6) . . ?
C1 C5 Dy1 74.3(6) . . ?
C4 C5 H5A 125.9 . . ?
C1 C5 H5A 125.9 . . ?
Dy1 C5 H5A 125.9 . . ?
C10 C6 C7 107.9(10) . . ?
C10 C6 Dy1 75.7(6) . . ?
C7 C6 Dy1 74.2(5) . . ?
C10 C6 H6A 125.5 . . ?
C7 C6 H6A 125.5 . . ?
Dy1 C6 H6A 125.5 . . ?
C8 C7 C6 105.8(10) . . ?
C8 C7 Dy1 75.4(5) . . ?
C6 C7 Dy1 74.4(5) . . ?
C8 C7 H7A 126.4 . . ?
C6 C7 H7A 126.4 . . ?
Dy1 C7 H7A 126.4 . . ?
C9 C8 C7 109.4(10) . . ?
C9 C8 Dy1 76.2(6) . . ?
C7 C8 Dy1 73.8(6) . . ?
C9 C8 H8A 124.9 . . ?
C7 C8 H8A 124.9 . . ?
Dy1 C8 H8A 124.9 . . ?
C8 C9 C10 107.5(10) . . ?
C8 C9 Dy1 74.1(6) . . ?
C10 C9 Dy1 73.6(6) . . ?
C8 C9 H9A 125.9 . . ?
C10 C9 H9A 125.9 . . ?
Dy1 C9 H9A 125.9 . . ?
C6 C10 C9 109.5(10) . . ?
C6 C10 Dy1 74.6(6) . . ?
C9 C10 Dy1 75.9(5) . . ?
C6 C10 H10A 124.8 . . ?
C9 C10 H10A 124.8 . . ?
Dy1 C10 H10A 124.8 . . ?
N1 C11 O1 118.1(7) . . ?
N1 C11 S1 127.9(6) . . ?
O1 C11 S1 113.9(6) . . ?
N1 C11 Dy1 59.8(4) . 2_656 ?
O1 C11 Dy1 58.3(4) . 2_656 ?
S1 C11 Dy1 172.2(4) . 2_656 ?
C13 C12 C17 119.0(7) . . ?
C13 C12 N1 121.5(7) . . ?
C17 C12 N1 119.3(7) . . ?
C12 C13 C14 120.0(8) . . ?
C12 C13 H13A 120.0 . . ?
C14 C13 H13A 120.0 . . ?
C15 C14 C13 121.5(9) . . ?
C15 C14 H14A 119.2 . . ?
C13 C14 H14A 119.2 . . ?
C16 C15 C14 118.8(9) . . ?
C16 C15 H15A 120.6 . . ?
C14 C15 H15A 120.6 . . ?
C15 C16 C17 122.0(10) . . ?
C15 C16 H16A 119.0 . . ?
C17 C16 H16A 119.0 . . ?
C16 C17 C12 118.5(9) . . ?
C16 C17 H17A 120.7 . . ?
C12 C17 H17A 120.7 . . ?
C23 C18 C19 118.4(8) . . ?
C23 C18 S1 120.7(7) . . ?
C19 C18 S1 120.6(8) . . ?
C18 C19 C20 119.7(10) . . ?
C18 C19 H19A 120.2 . . ?
C20 C19 H19A 120.2 . . ?
C21 C20 C19 121.5(9) . . ?
C21 C20 H20A 119.2 . . ?
C19 C20 H20A 119.2 . . ?
C20 C21 C22 118.3(9) . . ?
C20 C21 N2 120.9(10) . . ?
C22 C21 N2 120.7(11) . . ?
C21 C22 C23 120.7(11) . . ?
C21 C22 H22A 119.6 . . ?
C23 C22 H22A 119.6 . . ?
C18 C23 C22 121.2(9) . . ?
C18 C23 H23A 119.4 . . ?
C22 C23 H23A 119.4 . . ?
C27 O2 C24 105(2) . . ?
C25 C24 O2 102(3) . . ?
C25 C24 H24A 111.3 . . ?
O2 C24 H24A 111.3 . . ?
C25 C24 H24B 111.3 . . ?
O2 C24 H24B 111.3 . . ?
H24A C24 H24B 109.2 . . ?
C26 C25 C24 115(3) . . ?
C26 C25 H25A 108.4 . . ?
C24 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
C24 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 C27 104(3) . . ?
C25 C26 H26A 111.0 . . ?
C27 C26 H26A 111.0 . . ?
C25 C26 H26B 111.0 . . ?
C27 C26 H26B 111.0 . . ?
H26A C26 H26B 109.0 . . ?
O2 C27 C26 113(3) . . ?
O2 C27 H27A 109.0 . . ?
C26 C27 H27A 109.0 . . ?
O2 C27 H27B 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
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
Dy1 O1 2.315(5) . ?
Dy1 O1 2.427(5) 2_656 ?
Dy1 N1 2.461(6) 2_656 ?
Dy1 C1 2.617(9) . ?
Dy1 C5 2.623(10) . ?
Dy1 C7 2.633(9) . ?
Dy1 C6 2.636(9) . ?
Dy1 C3 2.644(10) . ?
Dy1 C10 2.650(10) . ?
Dy1 C2 2.650(10) . ?
Dy1 C4 2.651(10) . ?
Dy1 C8 2.653(10) . ?
S1 C18 1.758(9) . ?
S1 C11 1.789(8) . ?
N1 C11 1.269(10) . ?
N1 C12 1.409(9) . ?
N1 Dy1 2.461(6) 2_656 ?
N2 C21 1.389(13) . ?
N2 H2B 0.8600 . ?
N2 H2C 0.8600 . ?
O1 C11 1.287(8) . ?
O1 Dy1 2.427(5) 2_656 ?
C1 C2 1.372(17) . ?
C1 C5 1.395(18) . ?
C1 H1A 0.9800 . ?
C2 C3 1.357(16) . ?
C2 H2A 0.9800 . ?
C3 C4 1.355(16) . ?
C3 H3A 0.9800 . ?
C4 C5 1.392(19) . ?
C4 H4A 0.9800 . ?
C5 H5A 0.9800 . ?
C6 C10 1.356(15) . ?
C6 C7 1.429(15) . ?
C6 H6A 0.9800 . ?
C7 C8 1.404(17) . ?
C7 H7A 0.9800 . ?
C8 C9 1.364(15) . ?
C8 H8A 0.9800 . ?
C9 C10 1.397(14) . ?
C9 H9A 0.9800 . ?
C10 H10A 0.9800 . ?
C11 Dy1 2.841(7) 2_656 ?
C12 C13 1.360(11) . ?
C12 C17 1.407(11) . ?
C13 C14 1.394(12) . ?
C13 H13A 0.9300 . ?
C14 C15 1.357(14) . ?
C14 H14A 0.9300 . ?
C15 C16 1.344(15) . ?
C15 H15A 0.9300 . ?
C16 C17 1.395(13) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 C23 1.348(14) . ?
C18 C19 1.392(13) . ?
C19 C20 1.398(13) . ?
C19 H19A 0.9300 . ?
C20 C21 1.341(16) . ?
C20 H20A 0.9300 . ?
C21 C22 1.381(15) . ?
C22 C23 1.385(14) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9300 . ?
O2 C27 1.37(3) . ?
O2 C24 1.61(3) . ?
C24 C25 1.47(4) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.36(4) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.54(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2B O2 0.86 2.31 3.03(2) 140.8 1_455
