#------------------------------------------------------------------------------
#$Date: 2019-11-23 01:10:09 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231733 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/63/4346346.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_4346346
loop_
_publ_author_name
'Guo, Peng-Hu'
'Liu, Jiang'
'Wu, Zi-Hao'
'Yan, Hua'
'Chen, Yan-Cong'
'Jia, Jian-Hua'
'Tong, Ming-Liang'
_publ_section_title
;
 Single-Molecule-Magnet Behavior in a [2 × 2] Grid Dy(III)4 Cluster
 and a Dysprosium-Doped Y(III)4 Cluster.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8087
_journal_page_last               8092
_journal_paper_doi               10.1021/acs.inorgchem.5b01322
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C52 H40 Dy0.24 N24 O18 Y3.76'
_chemical_formula_weight         1662.38
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 92.091(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1909(5)
_cell_length_b                   16.8969(8)
_cell_length_c                   15.4868(6)
_cell_measurement_reflns_used    17331
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.470
_cell_measurement_theta_min      3.065
_cell_volume                     3188.0(2)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_diffrn_measurement_method       'ω 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  0.0581
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24107
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    3.756
_exptl_absorpt_correction_T_max  0.6763
_exptl_absorpt_correction_T_min  0.4921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1653
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.922
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7198
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0394
_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)+(0.0456P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0949
_reflns_number_gt                5072
_reflns_number_total             7198
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01322_si_003.cif
_cod_data_source_block           dyy
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4346346
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
Dy1 Dy 0.92251(2) 0.068677(18) 0.307303(18) 0.03104(9) Uani 0.06 1 d P
Y1 Y 0.92251(2) 0.068677(18) 0.307303(18) 0.03104(9) Uani 0.94 1 d P
Dy2 Dy 0.81373(2) -0.137107(19) 0.524870(18) 0.03242(10) Uani 0.06 1 d P
Y2 Y 0.81373(2) -0.137107(19) 0.524870(18) 0.03242(10) Uani 0.94 1 d P
O1 O 1.04894(19) 0.06625(15) 0.41530(15) 0.0476(6) Uani 1 1 d .
H1O H 1.0194 0.0294 0.4436 0.057 Uiso 1 1 d R
O2 O 1.03381(19) 0.16573(16) 0.25997(15) 0.0476(6) Uani 1 1 d .
O3 O 1.17876(19) 0.19653(16) 0.34257(15) 0.0486(7) Uani 1 1 d .
O4 O 0.8321(2) 0.11041(17) 0.16101(17) 0.0568(7) Uani 1 1 d .
O5 O 0.76677(19) 0.01266(16) 0.23075(16) 0.0498(7) Uani 1 1 d .
O6 O 0.6898(2) 0.0471(2) 0.10793(18) 0.0831(11) Uani 1 1 d .
O7 O 0.6730(2) -0.16406(17) 0.41430(16) 0.0518(7) Uani 1 1 d .
O8 O 0.6836(2) -0.24610(16) 0.52013(17) 0.0554(7) Uani 1 1 d .
O9 O 0.5459(2) -0.2540(2) 0.42688(19) 0.0690(9) Uani 1 1 d .
N1 N 1.0305(2) 0.00361(19) 0.19221(18) 0.0423(7) Uani 1 1 d .
N2 N 0.9496(2) -0.07597(17) 0.33153(17) 0.0354(6) Uani 1 1 d .
N3 N 0.9307(2) -0.12912(17) 0.39550(17) 0.0373(7) Uani 1 1 d .
N4 N 1.0507(2) -0.18469(19) 0.30586(19) 0.0467(8) Uani 1 1 d .
N5 N 0.9313(2) -0.26057(19) 0.50210(19) 0.0478(8) Uani 1 1 d .
N6 N 0.8148(2) 0.19251(18) 0.33146(18) 0.0424(7) Uani 1 1 d .
N7 N 0.7919(2) 0.05621(17) 0.42543(17) 0.0352(6) Uani 1 1 d .
N8 N 0.7575(2) -0.00178(17) 0.48022(17) 0.0366(7) Uani 1 1 d .
N9 N 0.6580(2) 0.10821(19) 0.50441(19) 0.0470(8) Uani 1 1 d .
N10 N 0.6481(2) -0.08624(19) 0.60362(19) 0.0444(8) Uani 1 1 d .
N11 N 0.7609(2) 0.0565(2) 0.1645(2) 0.0462(8) Uani 1 1 d .
N12 N 0.6307(2) -0.2233(2) 0.4531(2) 0.0460(8) Uani 1 1 d .
C1 C 1.0638(3) 0.0421(3) 0.1211(2) 0.0509(10) Uani 1 1 d .
H1 H 1.0431 0.0946 0.1130 0.061 Uiso 1 1 calc R
C2 C 1.1272(3) 0.0064(3) 0.0603(2) 0.0588(11) Uani 1 1 d .
H2 H 1.1490 0.0347 0.0124 0.071 Uiso 1 1 calc R
C3 C 1.1579(4) -0.0712(3) 0.0712(3) 0.0658(13) Uani 1 1 d .
H3 H 1.2000 -0.0964 0.0305 0.079 Uiso 1 1 calc R
C4 C 1.1252(3) -0.1114(3) 0.1438(3) 0.0594(12) Uani 1 1 d .
H4 H 1.1459 -0.1638 0.1530 0.071 Uiso 1 1 calc R
C5 C 1.0611(3) -0.0726(2) 0.2026(2) 0.0422(9) Uani 1 1 d .
C6 C 1.0211(3) -0.1117(2) 0.2803(2) 0.0388(8) Uani 1 1 d .
C7 C 0.9938(3) -0.1923(2) 0.3783(2) 0.0405(8) Uani 1 1 d .
C8 C 0.9981(3) -0.2619(2) 0.4354(2) 0.0449(9) Uani 1 1 d .
C9 C 1.0714(3) -0.3238(3) 0.4219(3) 0.0590(11) Uani 1 1 d .
H9 H 1.1179 -0.3223 0.3756 0.071 Uiso 1 1 calc R
C10 C 1.0741(4) -0.3873(3) 0.4781(3) 0.0694(13) Uani 1 1 d .
H10 H 1.1221 -0.4293 0.4703 0.083 Uiso 1 1 calc R
C11 C 1.0035(4) -0.3870(3) 0.5464(3) 0.0659(12) Uani 1 1 d .
H11 H 1.0036 -0.4287 0.5856 0.079 Uiso 1 1 calc R
C12 C 0.9332(4) -0.3237(3) 0.5553(3) 0.0612(11) Uani 1 1 d .
H12 H 0.8846 -0.3247 0.6002 0.073 Uiso 1 1 calc R
C13 C 0.8228(3) 0.2582(2) 0.2820(2) 0.0510(10) Uani 1 1 d .
H13 H 0.8722 0.2580 0.2376 0.061 Uiso 1 1 calc R
C14 C 0.7614(3) 0.3252(2) 0.2944(3) 0.0559(10) Uani 1 1 d .
H14 H 0.7690 0.3690 0.2588 0.067 Uiso 1 1 calc R
C15 C 0.6886(3) 0.3265(3) 0.3602(3) 0.0583(11) Uani 1 1 d .
H15 H 0.6475 0.3717 0.3704 0.070 Uiso 1 1 calc R
C16 C 0.6771(3) 0.2604(2) 0.4106(3) 0.0525(10) Uani 1 1 d .
H16 H 0.6275 0.2598 0.4548 0.063 Uiso 1 1 calc R
C17 C 0.7413(3) 0.1942(2) 0.3942(2) 0.0408(8) Uani 1 1 d .
C18 C 0.7310(3) 0.1198(2) 0.4428(2) 0.0382(8) Uani 1 1 d .
C19 C 0.6778(3) 0.0328(2) 0.5254(2) 0.0389(8) Uani 1 1 d .
C20 C 0.6168(3) -0.0111(2) 0.5902(2) 0.0416(9) Uani 1 1 d .
C21 C 0.5303(3) 0.0242(3) 0.6317(3) 0.0552(11) Uani 1 1 d .
H21 H 0.5108 0.0765 0.6200 0.066 Uiso 1 1 calc R
C22 C 0.4741(3) -0.0198(3) 0.6905(3) 0.0671(13) Uani 1 1 d .
H22 H 0.4166 0.0025 0.7200 0.080 Uiso 1 1 calc R
C23 C 0.5046(3) -0.0977(3) 0.7047(3) 0.0667(13) Uani 1 1 d .
H23 H 0.4666 -0.1288 0.7433 0.080 Uiso 1 1 calc R
C24 C 0.5921(3) -0.1294(3) 0.6613(3) 0.0570(11) Uani 1 1 d .
H24 H 0.6128 -0.1816 0.6720 0.068 Uiso 1 1 calc R
C25 C 1.1221(3) 0.2020(2) 0.2741(2) 0.0416(9) Uani 1 1 d .
C26 C 1.1616(4) 0.2565(3) 0.2047(3) 0.0892(18) Uani 1 1 d U
H26A H 1.1481 0.2326 0.1491 0.134 Uiso 1 1 calc R
H26B H 1.2389 0.2657 0.2137 0.134 Uiso 1 1 calc R
H26C H 1.1230 0.3059 0.2072 0.134 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'
Y Y -2.7962 3.5667 '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
O1 Dy1 O2 81.40(8) . .
O1 Dy1 O5 151.18(9) . .
O2 Dy1 O5 126.76(9) . .
O1 Dy1 N7 83.69(9) . .
O2 Dy1 N7 135.11(9) . .
O5 Dy1 N7 79.21(9) . .
O1 Dy1 N2 77.59(9) . .
O2 Dy1 N2 132.85(9) . .
O5 Dy1 N2 77.62(9) . .
N7 Dy1 N2 83.73(9) . .
O1 Dy1 N6 104.74(10) . .
O2 Dy1 N6 76.53(9) . .
O5 Dy1 N6 89.65(10) . .
N7 Dy1 N6 66.82(9) . .
N2 Dy1 N6 149.73(8) . .
O1 Dy1 N1 99.11(9) . .
O2 Dy1 N1 75.61(10) . .
O5 Dy1 N1 84.39(9) . .
N7 Dy1 N1 148.83(10) . .
N2 Dy1 N1 66.86(9) . .
N6 Dy1 N1 139.79(9) . .
O1 Dy1 O4 157.41(8) . .
O2 Dy1 O4 76.11(8) . .
O5 Dy1 O4 50.84(8) . .
N7 Dy1 O4 113.96(8) . .
N2 Dy1 O4 116.75(9) . .
N6 Dy1 O4 72.17(9) . .
N1 Dy1 O4 73.39(9) . .
O1 Dy1 N11 174.82(10) . .
O2 Dy1 N11 101.63(9) . .
O5 Dy1 N11 25.23(8) . .
N7 Dy1 N11 96.86(8) . .
N2 Dy1 N11 97.33(9) . .
N6 Dy1 N11 80.14(9) . .
N1 Dy1 N11 77.74(9) . .
O4 Dy1 N11 25.61(8) . .
O1 Dy1 H1O 20.0 . .
O2 Dy1 H1O 101.4 . .
O5 Dy1 H1O 131.4 . .
N7 Dy1 H1O 69.3 . .
N2 Dy1 H1O 63.3 . .
N6 Dy1 H1O 109.5 . .
N1 Dy1 H1O 104.0 . .
O4 Dy1 H1O 176.7 . .
N11 Dy1 H1O 156.6 . .
O1 Dy2 O3 81.82(9) 3_756 3_756
O1 Dy2 O7 153.57(9) 3_756 .
O3 Dy2 O7 123.83(9) 3_756 .
O1 Dy2 O8 153.90(9) 3_756 .
O3 Dy2 O8 72.47(9) 3_756 .
O7 Dy2 O8 52.51(9) . .
O1 Dy2 N8 79.43(9) 3_756 .
O3 Dy2 N8 131.14(9) 3_756 .
O7 Dy2 N8 78.15(9) . .
O8 Dy2 N8 121.14(9) . .
O1 Dy2 N3 82.12(9) 3_756 .
O3 Dy2 N3 137.50(9) 3_756 .
O7 Dy2 N3 81.60(9) . .
O8 Dy2 N3 114.00(9) . .
N8 Dy2 N3 83.51(9) . .
O1 Dy2 N10 102.48(10) 3_756 .
O3 Dy2 N10 74.00(9) 3_756 .
O7 Dy2 N10 81.29(9) . .
O8 Dy2 N10 75.04(10) . .
N8 Dy2 N10 66.80(9) . .
N3 Dy2 N10 148.16(10) . .
O1 Dy2 N5 94.53(10) 3_756 .
O3 Dy2 N5 76.21(10) 3_756 .
O7 Dy2 N5 97.75(10) . .
O8 Dy2 N5 75.33(10) . .
N8 Dy2 N5 149.67(9) . .
N3 Dy2 N5 66.19(9) . .
N10 Dy2 N5 142.93(10) . .
O1 Dy2 N12 177.19(9) 3_756 .
O3 Dy2 N12 97.52(9) 3_756 .
O7 Dy2 N12 26.59(9) . .
O8 Dy2 N12 26.07(9) . .
N8 Dy2 N12 99.07(10) . .
N3 Dy2 N12 100.11(9) . .
N10 Dy2 N12 74.73(9) . .
N5 Dy2 N12 87.95(9) . .
Y2 O1 Dy2 0.000(19) 3_756 3_756
Y2 O1 Dy1 141.99(12) 3_756 .
Dy2 O1 Dy1 141.99(12) 3_756 .
Y2 O1 H1O 120.3 3_756 .
Dy2 O1 H1O 120.3 3_756 .
Dy1 O1 H1O 96.1 . .
C25 O2 Dy1 145.0(2) . .
C25 O3 Y2 143.0(2) . 3_756
C25 O3 Dy2 143.0(2) . 3_756
Y2 O3 Dy2 0.000(14) 3_756 3_756
N11 O4 Dy1 92.2(2) . .
N11 O5 Dy1 101.0(2) . .
N12 O7 Dy2 95.86(19) . .
N12 O8 Dy2 96.1(2) . .
C5 N1 C1 117.8(3) . .
C5 N1 Dy1 118.9(2) . .
C1 N1 Dy1 123.2(3) . .
C6 N2 N3 105.3(3) . .
C6 N2 Dy1 115.9(2) . .
N3 N2 Dy1 136.9(2) . .
C7 N3 N2 105.4(2) . .
C7 N3 Dy2 117.4(2) . .
N2 N3 Dy2 137.2(2) . .
C6 N4 C7 101.1(3) . .
C8 N5 C12 117.5(3) . .
C8 N5 Dy2 118.6(2) . .
C12 N5 Dy2 123.9(3) . .
C17 N6 C13 117.0(3) . .
C17 N6 Dy1 119.5(2) . .
C13 N6 Dy1 123.5(2) . .
C18 N7 N8 105.4(2) . .
C18 N7 Dy1 117.1(2) . .
N8 N7 Dy1 137.4(2) . .
C19 N8 N7 104.7(3) . .
C19 N8 Dy2 116.8(2) . .
N7 N8 Dy2 138.07(19) . .
C19 N9 C18 101.2(3) . .
C20 N10 C24 117.7(3) . .
C20 N10 Dy2 118.2(2) . .
C24 N10 Dy2 124.1(3) . .
O6 N11 O4 122.4(3) . .
O6 N11 O5 121.6(3) . .
O4 N11 O5 116.0(3) . .
O6 N11 Dy1 175.4(3) . .
O4 N11 Dy1 62.23(18) . .
O5 N11 Dy1 53.81(17) . .
O9 N12 O8 123.2(4) . .
O9 N12 O7 121.9(3) . .
O8 N12 O7 114.9(3) . .
O9 N12 Dy2 173.0(2) . .
O8 N12 Dy2 57.80(17) . .
O7 N12 Dy2 57.55(16) . .
N1 C1 C2 122.5(4) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C3 C2 C1 119.4(4) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C2 C3 C4 118.9(4) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C3 C4 C5 119.2(4) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N1 C5 C4 122.2(3) . .
N1 C5 C6 115.4(3) . .
C4 C5 C6 122.4(4) . .
N4 C6 N2 114.3(3) . .
N4 C6 C5 124.1(3) . .
N2 C6 C5 121.5(3) . .
N4 C7 N3 113.8(3) . .
N4 C7 C8 124.7(3) . .
N3 C7 C8 121.5(3) . .
N5 C8 C9 122.6(3) . .
N5 C8 C7 116.2(3) . .
C9 C8 C7 121.2(3) . .
C10 C9 C8 119.2(4) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C9 C10 C11 118.5(4) . .
C9 C10 H10 120.8 . .
C11 C10 H10 120.8 . .
C12 C11 C10 118.9(4) . .
C12 C11 H11 120.6 . .
C10 C11 H11 120.6 . .
N5 C12 C11 123.3(4) . .
N5 C12 H12 118.3 . .
C11 C12 H12 118.3 . .
N6 C13 C14 123.1(3) . .
N6 C13 H13 118.5 . .
C14 C13 H13 118.5 . .
C13 C14 C15 119.1(4) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
C16 C15 C14 119.3(4) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C15 C16 C17 118.7(3) . .
C15 C16 H16 120.6 . .
C17 C16 H16 120.6 . .
N6 C17 C16 122.8(3) . .
N6 C17 C18 114.9(3) . .
C16 C17 C18 122.2(3) . .
N7 C18 N9 114.3(3) . .
N7 C18 C17 121.6(3) . .
N9 C18 C17 124.0(3) . .
N9 C19 N8 114.4(3) . .
N9 C19 C20 123.8(3) . .
N8 C19 C20 121.7(3) . .
N10 C20 C21 123.5(3) . .
N10 C20 C19 115.9(3) . .
C21 C20 C19 120.6(4) . .
C22 C21 C20 118.6(4) . .
C22 C21 H21 120.7 . .
C20 C21 H21 120.7 . .
C21 C22 C23 118.8(4) . .
C21 C22 H22 120.6 . .
C23 C22 H22 120.6 . .
C22 C23 C24 119.8(4) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
N10 C24 C23 121.7(4) . .
N10 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
O3 C25 O2 124.0(3) . .
O3 C25 C26 118.0(3) . .
O2 C25 C26 118.1(3) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.233(2) .
Dy1 O2 2.267(2) .
Dy1 O5 2.396(2) .
Dy1 N7 2.478(2) .
Dy1 N2 2.493(3) .
Dy1 N6 2.505(3) .
Dy1 N1 2.508(3) .
Dy1 O4 2.581(3) .
Dy1 N11 2.915(3) .
Dy1 H1O 2.4722 .
Dy2 O1 2.232(2) 3_756
Dy2 O3 2.284(2) 3_756
Dy2 O7 2.422(2) .
Dy2 O8 2.430(3) .
Dy2 N8 2.478(3) .
Dy2 N3 2.505(3) .
Dy2 N10 2.546(3) .
Dy2 N5 2.563(3) .
Dy2 N12 2.856(3) .
O1 Y2 2.232(2) 3_756
O1 Dy2 2.232(2) 3_756
O1 H1O 0.8499 .
O2 C25 1.250(4) .
O3 C25 1.248(4) .
O3 Y2 2.284(2) 3_756
O3 Dy2 2.284(2) 3_756
O4 N11 1.261(4) .
O5 N11 1.266(4) .
O6 N11 1.220(4) .
O7 N12 1.285(4) .
O8 N12 1.262(4) .
O9 N12 1.213(4) .
N1 C5 1.348(5) .
N1 C1 1.353(4) .
N2 C6 1.343(4) .
N2 N3 1.363(4) .
N3 C7 1.348(4) .
N4 C6 1.341(5) .
N4 C7 1.347(4) .
N5 C8 1.339(4) .
N5 C12 1.348(5) .
N6 C17 1.346(4) .
N6 C13 1.354(4) .
N7 C18 1.339(4) .
N7 N8 1.372(4) .
N8 C19 1.352(4) .
N9 C19 1.334(5) .
N9 C18 1.343(4) .
N10 C20 1.340(5) .
N10 C24 1.357(4) .
C1 C2 1.379(5) .
C1 H1 0.9300 .
C2 C3 1.373(6) .
C2 H2 0.9300 .
C3 C4 1.385(5) .
C3 H3 0.9300 .
C4 C5 1.387(5) .
C4 H4 0.9300 .
C5 C6 1.471(5) .
C7 C8 1.471(5) .
C8 C9 1.398(5) .
C9 C10 1.382(6) .
C9 H9 0.9300 .
C10 C11 1.388(6) .
C10 H10 0.9300 .
C11 C12 1.381(6) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.374(5) .
C13 H13 0.9300 .
C14 C15 1.376(5) .
C14 H14 0.9300 .
C15 C16 1.373(5) .
C15 H15 0.9300 .
C16 C17 1.393(5) .
C16 H16 0.9300 .
C17 C18 1.473(5) .
C19 C20 1.471(5) .
C20 C21 1.389(5) .
C21 C22 1.378(6) .
C21 H21 0.9300 .
C22 C23 1.385(6) .
C22 H22 0.9300 .
C23 C24 1.389(5) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.507(5) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 Dy1 O1 Y2 16.21(19) . 3_756
O5 Dy1 O1 Y2 -175.05(14) . 3_756
N7 Dy1 O1 Y2 -121.3(2) . 3_756
N2 Dy1 O1 Y2 153.7(2) . 3_756
N6 Dy1 O1 Y2 -57.3(2) . 3_756
N1 Dy1 O1 Y2 90.0(2) . 3_756
O4 Dy1 O1 Y2 21.6(4) . 3_756
N11 Dy1 O1 Y2 142.3(8) . 3_756
O2 Dy1 O1 Dy2 16.21(19) . 3_756
O5 Dy1 O1 Dy2 -175.05(14) . 3_756
N7 Dy1 O1 Dy2 -121.3(2) . 3_756
N2 Dy1 O1 Dy2 153.7(2) . 3_756
N6 Dy1 O1 Dy2 -57.3(2) . 3_756
N1 Dy1 O1 Dy2 90.0(2) . 3_756
O4 Dy1 O1 Dy2 21.6(4) . 3_756
N11 Dy1 O1 Dy2 142.3(8) . 3_756
O1 Dy1 O2 C25 4.4(4) . .
O5 Dy1 O2 C25 -168.9(4) . .
N7 Dy1 O2 C25 76.3(4) . .
N2 Dy1 O2 C25 -59.7(5) . .
N6 Dy1 O2 C25 111.9(4) . .
N1 Dy1 O2 C25 -97.4(4) . .
O4 Dy1 O2 C25 -173.5(4) . .
N11 Dy1 O2 C25 -171.4(4) . .
O1 Dy1 O4 N11 169.6(2) . .
O2 Dy1 O4 N11 175.1(2) . .
O5 Dy1 O4 N11 -0.09(18) . .
N7 Dy1 O4 N11 -51.3(2) . .
N2 Dy1 O4 N11 43.9(2) . .
N6 Dy1 O4 N11 -104.8(2) . .
N1 Dy1 O4 N11 96.3(2) . .
O1 Dy1 O5 N11 -171.8(2) . .
O2 Dy1 O5 N11 -5.7(3) . .
N7 Dy1 O5 N11 133.6(2) . .
N2 Dy1 O5 N11 -140.5(2) . .
N6 Dy1 O5 N11 67.1(2) . .
N1 Dy1 O5 N11 -73.0(2) . .
O4 Dy1 O5 N11 0.09(18) . .
O1 Dy2 O7 N12 -173.7(2) 3_756 .
O3 Dy2 O7 N12 -9.2(2) 3_756 .
O8 Dy2 O7 N12 4.60(18) . .
N8 Dy2 O7 N12 -141.2(2) . .
N3 Dy2 O7 N12 133.8(2) . .
N10 Dy2 O7 N12 -73.19(19) . .
N5 Dy2 O7 N12 69.36(19) . .
O1 Dy2 O8 N12 173.6(2) 3_756 .
O3 Dy2 O8 N12 163.3(2) 3_756 .
O7 Dy2 O8 N12 -4.69(18) . .
N8 Dy2 O8 N12 35.4(2) . .
N3 Dy2 O8 N12 -61.8(2) . .
N10 Dy2 O8 N12 85.7(2) . .
N5 Dy2 O8 N12 -116.8(2) . .
O1 Dy1 N1 C5 65.1(3) . .
O2 Dy1 N1 C5 143.7(3) . .
O5 Dy1 N1 C5 -86.0(3) . .
N7 Dy1 N1 C5 -27.8(4) . .
N2 Dy1 N1 C5 -7.1(2) . .
N6 Dy1 N1 C5 -168.8(2) . .
O4 Dy1 N1 C5 -136.8(3) . .
N11 Dy1 N1 C5 -110.7(3) . .
O1 Dy1 N1 C1 -112.2(3) . .
O2 Dy1 N1 C1 -33.6(3) . .
O5 Dy1 N1 C1 96.7(3) . .
N7 Dy1 N1 C1 154.9(3) . .
N2 Dy1 N1 C1 175.6(3) . .
N6 Dy1 N1 C1 13.9(4) . .
O4 Dy1 N1 C1 45.9(3) . .
N11 Dy1 N1 C1 72.0(3) . .
O1 Dy1 N2 C6 -95.5(2) . .
O2 Dy1 N2 C6 -29.9(3) . .
O5 Dy1 N2 C6 99.4(2) . .
N7 Dy1 N2 C6 179.6(2) . .
N6 Dy1 N2 C6 166.5(2) . .
N1 Dy1 N2 C6 10.2(2) . .
O4 Dy1 N2 C6 65.9(3) . .
N11 Dy1 N2 C6 83.5(2) . .
O1 Dy1 N2 N3 66.2(3) . .
O2 Dy1 N2 N3 131.8(3) . .
O5 Dy1 N2 N3 -98.9(3) . .
N7 Dy1 N2 N3 -18.7(3) . .
N6 Dy1 N2 N3 -31.8(4) . .
N1 Dy1 N2 N3 171.9(3) . .
O4 Dy1 N2 N3 -132.4(3) . .
N11 Dy1 N2 N3 -114.8(3) . .
C6 N2 N3 C7 1.0(4) . .
Dy1 N2 N3 C7 -162.0(2) . .
C6 N2 N3 Dy2 -177.8(2) . .
Dy1 N2 N3 Dy2 19.2(5) . .
O1 Dy2 N3 C7 99.5(3) 3_756 .
O3 Dy2 N3 C7 30.8(3) 3_756 .
O7 Dy2 N3 C7 -101.4(3) . .
O8 Dy2 N3 C7 -59.1(3) . .
N8 Dy2 N3 C7 179.7(3) . .
N10 Dy2 N3 C7 -159.5(2) . .
N5 Dy2 N3 C7 1.0(2) . .
N12 Dy2 N3 C7 -82.2(2) . .
O1 Dy2 N3 N2 -81.8(3) 3_756 .
O3 Dy2 N3 N2 -150.5(3) 3_756 .
O7 Dy2 N3 N2 77.3(3) . .
O8 Dy2 N3 N2 119.6(3) . .
N8 Dy2 N3 N2 -1.7(3) . .
N10 Dy2 N3 N2 19.1(4) . .
N5 Dy2 N3 N2 179.6(3) . .
N12 Dy2 N3 N2 96.4(3) . .
O1 Dy2 N5 C8 -78.3(3) 3_756 .
O3 Dy2 N5 C8 -158.8(3) 3_756 .
O7 Dy2 N5 C8 78.2(3) . .
O8 Dy2 N5 C8 126.1(3) . .
N8 Dy2 N5 C8 -1.6(4) . .
N3 Dy2 N5 C8 1.0(3) . .
N10 Dy2 N5 C8 164.0(2) . .
N12 Dy2 N5 C8 103.0(3) . .
O1 Dy2 N5 C12 99.1(3) 3_756 .
O3 Dy2 N5 C12 18.7(3) 3_756 .
O7 Dy2 N5 C12 -104.4(3) . .
O8 Dy2 N5 C12 -56.5(3) . .
N8 Dy2 N5 C12 175.9(3) . .
N3 Dy2 N5 C12 178.4(3) . .
N10 Dy2 N5 C12 -18.6(4) . .
N12 Dy2 N5 C12 -79.6(3) . .
O1 Dy1 N6 C17 -75.9(3) . .
O2 Dy1 N6 C17 -153.0(3) . .
O5 Dy1 N6 C17 78.9(3) . .
N7 Dy1 N6 C17 0.5(2) . .
N2 Dy1 N6 C17 14.7(4) . .
N1 Dy1 N6 C17 159.7(2) . .
O4 Dy1 N6 C17 127.5(3) . .
N11 Dy1 N6 C17 102.4(3) . .
O1 Dy1 N6 C13 107.0(3) . .
O2 Dy1 N6 C13 29.9(3) . .
O5 Dy1 N6 C13 -98.2(3) . .
N7 Dy1 N6 C13 -176.6(3) . .
N2 Dy1 N6 C13 -162.4(3) . .
N1 Dy1 N6 C13 -17.4(4) . .
O4 Dy1 N6 C13 -49.6(3) . .
N11 Dy1 N6 C13 -74.7(3) . .
O1 Dy1 N7 C18 108.9(3) . .
O2 Dy1 N7 C18 37.9(3) . .
O5 Dy1 N7 C18 -94.4(3) . .
N2 Dy1 N7 C18 -172.9(3) . .
N6 Dy1 N7 C18 -0.1(2) . .
N1 Dy1 N7 C18 -153.9(2) . .
O4 Dy1 N7 C18 -56.4(3) . .
N11 Dy1 N7 C18 -76.2(3) . .
O1 Dy1 N7 N8 -74.7(3) . .
O2 Dy1 N7 N8 -145.8(3) . .
O5 Dy1 N7 N8 82.0(3) . .
N2 Dy1 N7 N8 3.4(3) . .
N6 Dy1 N7 N8 176.3(3) . .
N1 Dy1 N7 N8 22.5(4) . .
O4 Dy1 N7 N8 120.0(3) . .
N11 Dy1 N7 N8 100.1(3) . .
C18 N7 N8 C19 0.4(4) . .
Dy1 N7 N8 C19 -176.2(2) . .
C18 N7 N8 Dy2 -171.4(3) . .
Dy1 N7 N8 Dy2 11.9(5) . .
O1 Dy2 N8 C19 -101.7(3) 3_756 .
O3 Dy2 N8 C19 -32.5(3) 3_756 .
O7 Dy2 N8 C19 92.4(2) . .
O8 Dy2 N8 C19 60.9(3) . .
N3 Dy2 N8 C19 175.1(3) . .
N10 Dy2 N8 C19 6.9(2) . .
N5 Dy2 N8 C19 177.4(2) . .
N12 Dy2 N8 C19 75.8(2) . .
O1 Dy2 N8 N7 69.4(3) 3_756 .
O3 Dy2 N8 N7 138.6(3) 3_756 .
O7 Dy2 N8 N7 -96.5(3) . .
O8 Dy2 N8 N7 -128.0(3) . .
N3 Dy2 N8 N7 -13.8(3) . .
N10 Dy2 N8 N7 178.0(3) . .
N5 Dy2 N8 N7 -11.4(4) . .
N12 Dy2 N8 N7 -113.0(3) . .
O1 Dy2 N10 C20 66.7(3) 3_756 .
O3 Dy2 N10 C20 144.3(3) 3_756 .
O7 Dy2 N10 C20 -86.7(3) . .
O8 Dy2 N10 C20 -140.1(3) . .
N8 Dy2 N10 C20 -5.9(3) . .
N3 Dy2 N10 C20 -28.5(4) . .
N5 Dy2 N10 C20 -178.0(2) . .
N12 Dy2 N10 C20 -113.0(3) . .
O1 Dy2 N10 C24 -110.4(3) 3_756 .
O3 Dy2 N10 C24 -32.8(3) 3_756 .
O7 Dy2 N10 C24 96.2(3) . .
O8 Dy2 N10 C24 42.8(3) . .
N8 Dy2 N10 C24 177.0(3) . .
N3 Dy2 N10 C24 154.4(3) . .
N5 Dy2 N10 C24 4.9(4) . .
N12 Dy2 N10 C24 69.8(3) . .
Dy1 O4 N11 O6 179.7(3) . .
Dy1 O4 N11 O5 0.1(3) . .
Dy1 O5 N11 O6 -179.7(3) . .
Dy1 O5 N11 O4 -0.2(3) . .
O1 Dy1 N11 O6 53(4) . .
O2 Dy1 N11 O6 178(100) . .
O5 Dy1 N11 O6 3(3) . .
N7 Dy1 N11 O6 -43(3) . .
N2 Dy1 N11 O6 42(3) . .
N6 Dy1 N11 O6 -108(3) . .
N1 Dy1 N11 O6 106(3) . .
O4 Dy1 N11 O6 -177(4) . .
O1 Dy1 N11 O4 -130.2(9) . .
O2 Dy1 N11 O4 -4.8(2) . .
O5 Dy1 N11 O4 179.8(3) . .
N7 Dy1 N11 O4 134.1(2) . .
N2 Dy1 N11 O4 -141.4(2) . .
N6 Dy1 N11 O4 69.1(2) . .
N1 Dy1 N11 O4 -77.1(2) . .
O1 Dy1 N11 O5 50.0(9) . .
O2 Dy1 N11 O5 175.3(2) . .
N7 Dy1 N11 O5 -45.8(2) . .
N2 Dy1 N11 O5 38.8(2) . .
N6 Dy1 N11 O5 -110.7(2) . .
N1 Dy1 N11 O5 103.1(2) . .
O4 Dy1 N11 O5 -179.8(3) . .
Dy2 O8 N12 O9 -171.7(3) . .
Dy2 O8 N12 O7 7.7(3) . .
Dy2 O7 N12 O9 171.7(3) . .
Dy2 O7 N12 O8 -7.8(3) . .
O1 Dy2 N12 O9 8(4) 3_756 .
O3 Dy2 N12 O9 85(2) 3_756 .
O7 Dy2 N12 O9 -88(2) . .
O8 Dy2 N12 O9 101(2) . .
N8 Dy2 N12 O9 -49(2) . .
N3 Dy2 N12 O9 -134(2) . .
N10 Dy2 N12 O9 14(2) . .
N5 Dy2 N12 O9 160(2) . .
O1 Dy2 N12 O8 -92.4(19) 3_756 .
O3 Dy2 N12 O8 -16.0(2) 3_756 .
O7 Dy2 N12 O8 171.7(3) . .
N8 Dy2 N12 O8 -149.9(2) . .
N3 Dy2 N12 O8 125.1(2) . .
N10 Dy2 N12 O8 -87.1(2) . .
N5 Dy2 N12 O8 59.8(2) . .
O1 Dy2 N12 O7 96.0(19) 3_756 .
O3 Dy2 N12 O7 172.31(19) 3_756 .
O8 Dy2 N12 O7 -171.7(3) . .
N8 Dy2 N12 O7 38.4(2) . .
N3 Dy2 N12 O7 -46.5(2) . .
N10 Dy2 N12 O7 101.2(2) . .
N5 Dy2 N12 O7 -111.9(2) . .
C5 N1 C1 C2 -0.2(6) . .
Dy1 N1 C1 C2 177.1(3) . .
N1 C1 C2 C3 0.4(7) . .
C1 C2 C3 C4 -0.7(7) . .
C2 C3 C4 C5 1.0(7) . .
C1 N1 C5 C4 0.5(6) . .
Dy1 N1 C5 C4 -176.9(3) . .
C1 N1 C5 C6 -179.1(3) . .
Dy1 N1 C5 C6 3.5(4) . .
C3 C4 C5 N1 -0.9(6) . .
C3 C4 C5 C6 178.7(4) . .
C7 N4 C6 N2 -0.9(4) . .
C7 N4 C6 C5 179.6(3) . .
N3 N2 C6 N4 0.0(4) . .
Dy1 N2 C6 N4 167.1(2) . .
N3 N2 C6 C5 179.5(3) . .
Dy1 N2 C6 C5 -13.4(4) . .
N1 C5 C6 N4 -173.7(3) . .
C4 C5 C6 N4 6.7(6) . .
N1 C5 C6 N2 6.8(5) . .
C4 C5 C6 N2 -172.8(4) . .
C6 N4 C7 N3 1.6(4) . .
C6 N4 C7 C8 -178.2(3) . .
N2 N3 C7 N4 -1.6(4) . .
Dy2 N3 C7 N4 177.4(2) . .
N2 N3 C7 C8 178.1(3) . .
Dy2 N3 C7 C8 -2.8(4) . .
C12 N5 C8 C9 -2.8(6) . .
Dy2 N5 C8 C9 174.8(3) . .
C12 N5 C8 C7 179.7(3) . .
Dy2 N5 C8 C7 -2.6(4) . .
N4 C7 C8 N5 -176.5(3) . .
N3 C7 C8 N5 3.7(5) . .
N4 C7 C8 C9 6.0(6) . .
N3 C7 C8 C9 -173.8(4) . .
N5 C8 C9 C10 1.4(7) . .
C7 C8 C9 C10 178.8(4) . .
C8 C9 C10 C11 -0.2(7) . .
C9 C10 C11 C12 0.4(7) . .
C8 N5 C12 C11 3.1(6) . .
Dy2 N5 C12 C11 -174.4(3) . .
C10 C11 C12 N5 -1.9(7) . .
C17 N6 C13 C14 1.1(6) . .
Dy1 N6 C13 C14 178.3(3) . .
N6 C13 C14 C15 0.4(7) . .
C13 C14 C15 C16 -1.5(7) . .
C14 C15 C16 C17 1.0(6) . .
C13 N6 C17 C16 -1.6(5) . .
Dy1 N6 C17 C16 -178.9(3) . .
C13 N6 C17 C18 176.5(3) . .
Dy1 N6 C17 C18 -0.8(4) . .
C15 C16 C17 N6 0.6(6) . .
C15 C16 C17 C18 -177.4(4) . .
N8 N7 C18 N9 -0.6(4) . .
Dy1 N7 C18 N9 176.8(2) . .
N8 N7 C18 C17 -177.7(3) . .
Dy1 N7 C18 C17 -0.3(4) . .
C19 N9 C18 N7 0.5(4) . .
C19 N9 C18 C17 177.6(3) . .
N6 C17 C18 N7 0.7(5) . .
C16 C17 C18 N7 178.9(4) . .
N6 C17 C18 N9 -176.1(3) . .
C16 C17 C18 N9 2.0(6) . .
C18 N9 C19 N8 -0.3(4) . .
C18 N9 C19 C20 -178.4(3) . .
N7 N8 C19 N9 -0.1(4) . .
Dy2 N8 C19 N9 173.8(2) . .
N7 N8 C19 C20 178.2(3) . .
Dy2 N8 C19 C20 -8.0(4) . .
C24 N10 C20 C21 -0.3(6) . .
Dy2 N10 C20 C21 -177.6(3) . .
C24 N10 C20 C19 -178.4(3) . .
Dy2 N10 C20 C19 4.3(4) . .
N9 C19 C20 N10 -179.5(3) . .
N8 C19 C20 N10 2.4(5) . .
N9 C19 C20 C21 2.4(6) . .
N8 C19 C20 C21 -175.7(3) . .
N10 C20 C21 C22 0.6(6) . .
C19 C20 C21 C22 178.6(4) . .
C20 C21 C22 C23 -1.1(7) . .
C21 C22 C23 C24 1.4(7) . .
C20 N10 C24 C23 0.5(6) . .
Dy2 N10 C24 C23 177.6(3) . .
C22 C23 C24 N10 -1.1(7) . .
Y2 O3 C25 O2 -0.5(7) 3_756 .
Dy2 O3 C25 O2 -0.5(7) 3_756 .
Y2 O3 C25 C26 178.5(3) 3_756 .
Dy2 O3 C25 C26 178.5(3) 3_756 .
Dy1 O2 C25 O3 -11.4(7) . .
Dy1 O2 C25 C26 169.6(4) . .
