#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:51:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179266 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/86/4318614.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_4318614
loop_
_publ_author_name
'L. Valencia'
'J. Martinez'
'A. Macías'
'R. Bastida'
'R. A. Carvalho'
'C. F. G. C. Geraldes'
_publ_section_title
;
 X-ray Diffraction and 1H NMR in Solution: Structural Determination of
 Lanthanide Complexes of a Py2N6Ac4 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5300
_journal_page_last               5312
_journal_paper_doi               10.1021/ic0257017
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         '[DyL].2EtOH.2H2O'
_chemical_formula_sum            'C30 H46 Dy N6 O12'
_chemical_formula_weight         845.23
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 96.8640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0692(6)
_cell_length_b                   19.2742(12)
_cell_length_c                   17.1905(11)
_cell_measurement_temperature    173(2)
_cell_volume                     3312.3(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_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  0.0610
_diffrn_reflns_av_sigmaI/netI    0.0918
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20505
_diffrn_reflns_theta_full        28.01
_diffrn_reflns_theta_max         28.01
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    2.328
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6598
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.180
_refine_diff_density_min         -2.579
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         7739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0711P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1352
_reflns_number_gt                5581
_reflns_number_total             7739
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0257017_s6.cif
_cod_data_source_block           dyn
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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               4318614
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.18329(3) 0.795721(14) 0.148489(15) 0.01461(10) Uani 1 1 d . . .
O1 O 0.3996(4) 0.7584(2) 0.2208(2) 0.0189(9) Uani 1 1 d . . .
O2 O 0.5705(5) 0.8024(2) 0.2997(2) 0.0260(10) Uani 1 1 d . . .
O3 O 0.1253(4) 0.8330(2) 0.0091(2) 0.0197(9) Uani 1 1 d . . .
O4 O 0.0487(5) 0.7944(2) -0.1092(2) 0.0255(10) Uani 1 1 d . . .
O5 O 0.2341(4) 0.8493(2) 0.2831(2) 0.0196(9) Uani 1 1 d . . .
O6 O 0.3095(5) 0.8272(2) 0.4068(2) 0.0264(11) Uani 1 1 d . . .
O7 O -0.0216(4) 0.7427(2) 0.0839(2) 0.0197(9) Uani 1 1 d . . .
O8 O -0.2077(5) 0.7678(3) 0.0032(2) 0.0291(11) Uani 1 1 d . . .
N1 N 0.1717(5) 0.9293(3) 0.1374(3) 0.0183(11) Uani 1 1 d . . .
N2 N 0.4020(5) 0.8583(2) 0.1161(3) 0.0175(11) Uani 1 1 d . . .
N3 N 0.3019(5) 0.7321(3) 0.0393(3) 0.0183(11) Uani 1 1 d . . .
N4 N 0.1953(5) 0.6624(3) 0.1591(3) 0.0201(12) Uani 1 1 d . . .
N5 N 0.0752(6) 0.7404(3) 0.2662(3) 0.0209(12) Uani 1 1 d . . .
N6 N -0.0467(5) 0.8526(3) 0.1721(3) 0.0194(11) Uani 1 1 d . . .
C1 C 0.0679(7) 0.9650(3) 0.1594(3) 0.0204(14) Uani 1 1 d . . .
C2 C 0.0457(7) 1.0344(3) 0.1421(4) 0.0274(16) Uani 1 1 d . . .
H2 H -0.0308 1.0576 0.1566 0.033 Uiso 1 1 calc R . .
C3 C 0.1383(8) 1.0693(3) 0.1028(4) 0.0305(17) Uani 1 1 d . . .
H3 H 0.1262 1.1170 0.0901 0.037 Uiso 1 1 calc R . .
C4 C 0.2463(8) 1.0346(3) 0.0828(4) 0.0280(16) Uani 1 1 d . . .
H4 H 0.3121 1.0581 0.0575 0.034 Uiso 1 1 calc R . .
C5 C 0.2599(7) 0.9639(3) 0.0997(3) 0.0196(13) Uani 1 1 d . . .
C6 C 0.3725(7) 0.9232(3) 0.0724(3) 0.0221(14) Uani 1 1 d . . .
H6A H 0.3496 0.9121 0.0162 0.027 Uiso 1 1 calc R . .
H6B H 0.4539 0.9524 0.0776 0.027 Uiso 1 1 calc R . .
C7 C 0.4899(6) 0.8150(3) 0.0717(3) 0.0203(14) Uani 1 1 d . . .
H7A H 0.5414 0.7821 0.1080 0.024 Uiso 1 1 calc R . .
H7B H 0.5544 0.8452 0.0486 0.024 Uiso 1 1 calc R . .
C8 C 0.4070(7) 0.7748(3) 0.0071(3) 0.0210(14) Uani 1 1 d . . .
H8A H 0.3638 0.8077 -0.0323 0.025 Uiso 1 1 calc R . .
H8B H 0.4663 0.7441 -0.0194 0.025 Uiso 1 1 calc R . .
C9 C 0.3623(7) 0.6661(3) 0.0682(4) 0.0237(15) Uani 1 1 d . . .
H9A H 0.4498 0.6758 0.0990 0.028 Uiso 1 1 calc R . .
H9B H 0.3790 0.6372 0.0227 0.028 Uiso 1 1 calc R . .
C10 C 0.2777(7) 0.6262(3) 0.1178(3) 0.0228(15) Uani 1 1 d . . .
C11 C 0.2850(8) 0.5537(3) 0.1232(4) 0.0335(17) Uani 1 1 d . . .
H11 H 0.3409 0.5287 0.0923 0.040 Uiso 1 1 calc R . .
C12 C 0.2125(8) 0.5189(4) 0.1724(4) 0.0350(18) Uani 1 1 d . . .
H12 H 0.2202 0.4700 0.1779 0.042 Uiso 1 1 calc R . .
C13 C 0.1266(8) 0.5563(3) 0.2147(4) 0.0319(17) Uani 1 1 d . . .
H13 H 0.0728 0.5333 0.2485 0.038 Uiso 1 1 calc R . .
C14 C 0.1216(7) 0.6281(3) 0.2059(3) 0.0235(15) Uani 1 1 d . . .
C15 C 0.0260(7) 0.6691(3) 0.2472(4) 0.0242(15) Uani 1 1 d . . .
H15A H -0.0610 0.6718 0.2137 0.029 Uiso 1 1 calc R . .
H15B H 0.0112 0.6449 0.2962 0.029 Uiso 1 1 calc R . .
C16 C -0.0377(7) 0.7819(3) 0.2930(3) 0.0221(14) Uani 1 1 d . . .
H16A H -0.0006 0.8200 0.3277 0.026 Uiso 1 1 calc R . .
H16B H -0.0921 0.7517 0.3233 0.026 Uiso 1 1 calc R . .
C17 C -0.1251(7) 0.8120(3) 0.2237(3) 0.0233(14) Uani 1 1 d . . .
H17A H -0.1719 0.7738 0.1932 0.028 Uiso 1 1 calc R . .
H17B H -0.1936 0.8423 0.2428 0.028 Uiso 1 1 calc R . .
C18 C -0.0281(7) 0.9238(3) 0.2041(3) 0.0221(14) Uani 1 1 d . . .
H18A H 0.0080 0.9214 0.2602 0.027 Uiso 1 1 calc R . .
H18B H -0.1156 0.9478 0.2001 0.027 Uiso 1 1 calc R . .
C19 C 0.4756(6) 0.8723(3) 0.1943(3) 0.0187(13) Uani 1 1 d . . .
H19A H 0.4292 0.9087 0.2213 0.022 Uiso 1 1 calc R . .
H19B H 0.5671 0.8887 0.1887 0.022 Uiso 1 1 calc R . .
C20 C 0.4821(6) 0.8060(3) 0.2415(3) 0.0171(13) Uani 1 1 d . . .
C21 C 0.1949(7) 0.7199(3) -0.0254(3) 0.0203(14) Uani 1 1 d . . .
H21A H 0.1336 0.6833 -0.0105 0.024 Uiso 1 1 calc R . .
H21B H 0.2338 0.7043 -0.0726 0.024 Uiso 1 1 calc R . .
C22 C 0.1190(6) 0.7870(3) -0.0423(3) 0.0190(13) Uani 1 1 d . . .
C23 C 0.1823(7) 0.7387(3) 0.3318(3) 0.0198(13) Uani 1 1 d . . .
H23A H 0.2503 0.7038 0.3216 0.024 Uiso 1 1 calc R . .
H23B H 0.1453 0.7256 0.3805 0.024 Uiso 1 1 calc R . .
C24 C 0.2456(6) 0.8092(3) 0.3410(3) 0.0187(13) Uani 1 1 d . . .
C25 C -0.1212(6) 0.8535(3) 0.0936(3) 0.0208(14) Uani 1 1 d . . .
H25A H -0.0813 0.8879 0.0605 0.025 Uiso 1 1 calc R . .
H25B H -0.2153 0.8670 0.0968 0.025 Uiso 1 1 calc R . .
C26 C -0.1165(6) 0.7822(3) 0.0576(3) 0.0193(13) Uani 1 1 d . . .
O2W O 0.4930(6) 0.4213(3) 0.0782(3) 0.0571(17) Uani 1 1 d . . .
O1W O 0.6364(8) 0.6472(3) 0.2073(3) 0.071(2) Uani 1 1 d . . .
C3S C 0.8285(8) 0.5503(4) 0.3488(4) 0.0384(18) Uiso 1 1 d . . .
H3S1 H 0.9225 0.5532 0.3375 0.046 Uiso 0.50 1 calc PR A 1
H3S2 H 0.7758 0.5357 0.2992 0.046 Uiso 0.50 1 calc PR A 1
H31' H 0.7843 0.5148 0.3827 0.046 Uiso 0.50 1 d PR A 2
H32' H 0.7629 0.5920 0.3536 0.046 Uiso 0.50 1 d PR A 2
C4S C 0.8251(11) 0.4975(5) 0.3958(6) 0.011(2) Uiso 0.50 1 d P B 1
H4S1 H 0.8617 0.4565 0.3721 0.016 Uiso 0.50 1 calc PR B 1
H4S2 H 0.7324 0.4884 0.4047 0.016 Uiso 0.50 1 calc PR B 1
H4S3 H 0.8787 0.5078 0.4459 0.016 Uiso 0.50 1 calc PR B 1
O2S O 0.7946(9) 0.6112(5) 0.3588(5) 0.027(2) Uiso 0.50 1 d P B 1
H2S H 0.7126 0.6126 0.3638 0.041 Uiso 0.50 1 calc PR B 1
O2S' O 0.8116(9) 0.5294(4) 0.2845(5) 0.0225(19) Uiso 0.50 1 d P B 2
H2S' H 0.7296 0.5227 0.2714 0.034 Uiso 0.50 1 calc PR B 2
C4S' C 0.9321(15) 0.5724(8) 0.3938(8) 0.034(3) Uiso 0.50 1 d P B 2
H4S1 H 0.9043 0.5893 0.4431 0.052 Uiso 0.50 1 calc PR B 2
H4S2 H 0.9743 0.6103 0.3676 0.052 Uiso 0.50 1 calc PR B 2
H4S3 H 0.9962 0.5344 0.4047 0.052 Uiso 0.50 1 calc PR B 2
C1S C 0.7973(17) 0.5515(8) 0.0673(9) 0.134(6) Uiso 1 1 d . . .
H1S1 H 0.8500 0.5869 0.0994 0.161 Uiso 1 1 calc R . .
H1S2 H 0.8083 0.5589 0.0114 0.161 Uiso 1 1 calc R . .
C2S C 0.8415(17) 0.4747(8) 0.0949(9) 0.134(6) Uiso 1 1 d . . .
H2S1 H 0.8372 0.4700 0.1513 0.201 Uiso 1 1 calc R . .
H2S2 H 0.9332 0.4660 0.0837 0.201 Uiso 1 1 calc R . .
H2S3 H 0.7810 0.4409 0.0666 0.201 Uiso 1 1 calc R . .
O1S O 0.6472(8) 0.5543(4) 0.0806(4) 0.076(2) Uiso 1 1 d . . .
H1S H 0.6134 0.5146 0.0739 0.115 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'
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
O7 Dy1 O1 138.46(14) . . ?
O7 Dy1 O3 66.28(14) . . ?
O1 Dy1 O3 130.77(14) . . ?
O7 Dy1 O5 130.77(14) . . ?
O1 Dy1 O5 65.83(13) . . ?
O3 Dy1 O5 139.21(13) . . ?
O7 Dy1 N4 69.26(15) . . ?
O1 Dy1 N4 69.20(15) . . ?
O3 Dy1 N4 110.94(14) . . ?
O5 Dy1 N4 109.85(14) . . ?
O7 Dy1 N1 110.76(15) . . ?
O1 Dy1 N1 110.78(15) . . ?
O3 Dy1 N1 68.88(13) . . ?
O5 Dy1 N1 70.33(13) . . ?
N4 Dy1 N1 179.76(16) . . ?
O7 Dy1 N2 141.07(14) . . ?
O1 Dy1 N2 62.08(14) . . ?
O3 Dy1 N2 76.75(14) . . ?
O5 Dy1 N2 85.60(14) . . ?
N4 Dy1 N2 116.05(17) . . ?
N1 Dy1 N2 63.77(16) . . ?
O7 Dy1 N5 77.08(15) . . ?
O1 Dy1 N5 85.21(15) . . ?
O3 Dy1 N5 141.34(16) . . ?
O5 Dy1 N5 61.29(15) . . ?
N4 Dy1 N5 64.06(16) . . ?
N1 Dy1 N5 116.18(16) . . ?
N2 Dy1 N5 141.43(16) . . ?
O7 Dy1 N6 62.30(14) . . ?
O1 Dy1 N6 141.03(14) . . ?
O3 Dy1 N6 85.38(14) . . ?
O5 Dy1 N6 76.98(14) . . ?
N4 Dy1 N6 115.99(17) . . ?
N1 Dy1 N6 64.18(16) . . ?
N2 Dy1 N6 127.96(16) . . ?
N5 Dy1 N6 66.36(16) . . ?
O7 Dy1 N3 84.95(15) . . ?
O1 Dy1 N3 77.15(14) . . ?
O3 Dy1 N3 61.75(14) . . ?
O5 Dy1 N3 141.24(15) . . ?
N4 Dy1 N3 64.31(16) . . ?
N1 Dy1 N3 115.45(15) . . ?
N2 Dy1 N3 66.52(15) . . ?
N5 Dy1 N3 128.37(16) . . ?
N6 Dy1 N3 141.41(15) . . ?
C20 O1 Dy1 116.2(4) . . ?
C22 O3 Dy1 117.4(4) . . ?
C24 O5 Dy1 117.7(4) . . ?
C26 O7 Dy1 118.1(4) . . ?
C5 N1 C1 117.8(5) . . ?
C5 N1 Dy1 120.4(4) . . ?
C1 N1 Dy1 121.2(4) . . ?
C6 N2 C19 111.0(5) . . ?
C6 N2 C7 108.1(5) . . ?
C19 N2 C7 107.6(5) . . ?
C6 N2 Dy1 112.1(4) . . ?
C19 N2 Dy1 103.5(3) . . ?
C7 N2 Dy1 114.5(3) . . ?
C9 N3 C21 110.6(5) . . ?
C9 N3 C8 108.5(5) . . ?
C21 N3 C8 107.2(5) . . ?
C9 N3 Dy1 111.4(4) . . ?
C21 N3 Dy1 105.0(4) . . ?
C8 N3 Dy1 114.0(3) . . ?
C14 N4 C10 118.8(6) . . ?
C14 N4 Dy1 120.8(4) . . ?
C10 N4 Dy1 120.4(4) . . ?
C23 N5 C15 110.2(5) . . ?
C23 N5 C16 106.9(5) . . ?
C15 N5 C16 108.4(5) . . ?
C23 N5 Dy1 105.4(4) . . ?
C15 N5 Dy1 111.3(3) . . ?
C16 N5 Dy1 114.5(3) . . ?
C25 N6 C17 108.0(5) . . ?
C25 N6 C18 111.1(5) . . ?
C17 N6 C18 108.7(5) . . ?
C25 N6 Dy1 103.0(3) . . ?
C17 N6 Dy1 114.4(4) . . ?
C18 N6 Dy1 111.6(4) . . ?
N1 C1 C2 123.0(6) . . ?
N1 C1 C18 116.0(5) . . ?
C2 C1 C18 121.0(6) . . ?
C1 C2 C3 118.2(6) . . ?
C4 C3 C2 119.3(6) . . ?
C3 C4 C5 119.4(7) . . ?
N1 C5 C4 122.2(6) . . ?
N1 C5 C6 117.4(5) . . ?
C4 C5 C6 120.3(6) . . ?
N2 C6 C5 113.5(5) . . ?
N2 C7 C8 110.6(5) . . ?
N3 C8 C7 111.1(5) . . ?
N3 C9 C10 113.5(5) . . ?
N4 C10 C11 120.8(7) . . ?
N4 C10 C9 117.6(5) . . ?
C11 C10 C9 121.6(6) . . ?
C12 C11 C10 120.3(7) . . ?
C11 C12 C13 118.9(7) . . ?
C12 C13 C14 118.2(7) . . ?
N4 C14 C13 122.9(7) . . ?
N4 C14 C15 117.5(5) . . ?
C13 C14 C15 119.5(6) . . ?
N5 C15 C14 112.3(5) . . ?
N5 C16 C17 110.7(5) . . ?
N6 C17 C16 111.9(5) . . ?
N6 C18 C1 110.7(5) . . ?
N2 C19 C20 108.6(5) . . ?
O1 C20 O2 124.3(5) . . ?
O1 C20 C19 118.6(5) . . ?
O2 C20 C19 117.0(5) . . ?
N3 C21 C22 108.4(5) . . ?
O3 C22 O4 122.1(6) . . ?
O3 C22 C21 119.3(5) . . ?
O4 C22 C21 118.6(5) . . ?
N5 C23 C24 109.0(5) . . ?
O5 C24 O6 121.6(6) . . ?
O5 C24 C23 118.4(5) . . ?
O6 C24 C23 120.0(5) . . ?
N6 C25 C26 109.2(5) . . ?
O8 C26 O7 125.8(6) . . ?
O8 C26 C25 116.7(6) . . ?
O7 C26 C25 117.5(5) . . ?
O2S' C3S O2S 116.5(9) . . ?
O2S' C3S C4S' 133.9(11) . . ?
O2S C3S C4S' 79.7(9) . . ?
O2S' C3S C4S 107.7(9) . . ?
O2S C3S C4S 128.7(9) . . ?
C4S' C3S C4S 88.0(10) . . ?
O1S C1S C2S 103.2(12) . . ?
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 O7 2.447(4) . ?
Dy1 O1 2.482(4) . ?
Dy1 O3 2.503(4) . ?
Dy1 O5 2.529(4) . ?
Dy1 N4 2.577(5) . ?
Dy1 N1 2.584(5) . ?
Dy1 N2 2.628(5) . ?
Dy1 N5 2.635(5) . ?
Dy1 N6 2.638(5) . ?
Dy1 N3 2.644(5) . ?
O1 C20 1.259(7) . ?
O2 C20 1.259(7) . ?
O3 C22 1.248(7) . ?
O4 C22 1.283(7) . ?
O5 C24 1.254(7) . ?
O6 C24 1.281(7) . ?
O7 C26 1.262(7) . ?
O8 C26 1.260(7) . ?
N1 C5 1.337(8) . ?
N1 C1 1.343(8) . ?
N2 C6 1.470(7) . ?
N2 C19 1.479(7) . ?
N2 C7 1.492(8) . ?
N3 C9 1.471(8) . ?
N3 C21 1.472(7) . ?
N3 C8 1.498(8) . ?
N4 C14 1.334(8) . ?
N4 C10 1.349(8) . ?
N5 C23 1.464(8) . ?
N5 C15 1.484(8) . ?
N5 C16 1.506(8) . ?
N6 C25 1.464(7) . ?
N6 C17 1.480(8) . ?
N6 C18 1.482(8) . ?
C1 C2 1.384(9) . ?
C1 C18 1.527(9) . ?
C2 C3 1.388(10) . ?
C3 C4 1.356(10) . ?
C4 C5 1.396(8) . ?
C5 C6 1.499(9) . ?
C7 C8 1.520(8) . ?
C9 C10 1.490(9) . ?
C10 C11 1.402(9) . ?
C11 C12 1.358(10) . ?
C12 C13 1.395(10) . ?
C13 C14 1.393(9) . ?
C14 C15 1.490(10) . ?
C16 C17 1.508(8) . ?
C19 C20 1.511(8) . ?
C21 C22 1.513(8) . ?
C23 C24 1.501(8) . ?
C25 C26 1.510(9) . ?
C3S O2S' 1.170(10) . ?
C3S O2S 1.241(12) . ?
C3S C4S' 1.294(16) . ?
C3S C4S 1.303(12) . ?
C1S O1S 1.556(16) . ?
C1S C2S 1.602(19) . ?
