#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:09:48 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261648 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/58/7705813.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_7705813
loop_
_publ_author_name
'Dermitzaki, Despina'
'Raptopoulou, Catherine P.'
'Psycharis, Vassilis'
'Escuer, Albert'
'Perlepes, Spyros P.'
'Mayans, Julia'
'Stamatatos, Theocharis C.'
_publ_section_title
;
 Further synthetic investigation of the general lanthanoid(iii)
 [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system:
 {CuLn} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii)
 analogue.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              240
_journal_page_last               251
_journal_paper_doi               10.1039/d0dt03582c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C55.5 H88 Cu5 Dy4 N12 O33.5'
_chemical_formula_weight         2427.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2020-11-18 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.374(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.1964(4)
_cell_length_b                   18.9068(6)
_cell_length_c                   18.3821(6)
_cell_measurement_reflns_used    23048
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.10
_cell_volume                     4537.5(2)
_computing_cell_refinement       'CrystalClear, Rigaku MSC, 2005'
_computing_data_collection       'CrystalClear, Rigaku MSC, 2005'
_computing_data_reduction        'CrystalClear, Rigaku MSC, 2005'
_computing_molecular_graphics    'Diamond ver.3.1'
_computing_publication_material  'publCIF J.Appl.Cryst. 2010, 43, 920'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IPDS'
_diffrn_measurement_method       'θ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_av_unetI/netI     0.0345
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28462
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         3.104
_exptl_absorpt_coefficient_mu    4.475
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.6235
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrystalClear, Rigaku MSC, 2005'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             2364
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.284
_refine_diff_density_min         -1.529
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         5094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0448P)²+28.4514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.0953
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4422
_reflns_number_total             5094
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03582c2.cif
_cod_data_source_block           COMPOUND1
_cod_depositor_comments
'Adding full bibliography for 7705813--7705815.cif.'
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_original_formula_sum        'C55.50 H88 Cu5 Dy4 N12 O33.50'
_cod_database_code               7705813
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.98590(2) 0.40111(2) 0.14310(2) 0.02633(9) Uani 1 1 d . . . . .
Cu1 Cu 1.11680(5) 0.33931(3) 0.01935(3) 0.02901(14) Uani 1 1 d . . . . .
Cu2 Cu 1.0000 0.5000 0.0000 0.0250(2) Uani 1 4 d S T P . .
O1 O 1.1215(3) 0.33519(18) 0.12586(17) 0.0328(8) Uani 1 1 d . . . . .
O2 O 1.1427(3) 0.33624(19) -0.08156(17) 0.0332(8) Uani 1 1 d . . . . .
N1 N 1.2338(3) 0.2817(2) 0.0374(2) 0.0323(9) Uani 1 1 d . . . . .
C1 C 1.1987(5) 0.2893(3) 0.1604(3) 0.0389(12) Uani 1 1 d . . . . .
C2 C 1.2625(4) 0.2588(3) 0.1060(3) 0.0369(12) Uani 1 1 d . . . . .
C3 C 1.3414(4) 0.2102(3) 0.1196(3) 0.0447(14) Uani 1 1 d . . . . .
C4 C 1.3871(5) 0.1865(4) 0.0610(3) 0.0532(16) Uani 1 1 d . . . . .
H4 H 1.4410 0.1529 0.0692 0.069 Uiso 1 1 calc R U . . .
C5 C 1.3548(5) 0.2115(4) -0.0101(3) 0.0508(15) Uani 1 1 d . . . . .
C6 C 1.2766(4) 0.2606(3) -0.0203(3) 0.0383(12) Uani 1 1 d . . . . .
C7 C 1.2281(4) 0.2950(3) -0.0917(3) 0.0416(13) Uani 1 1 d . . . . .
H7A H 1.2794 0.3253 -0.1108 0.050 Uiso 1 1 calc R U . . .
H7B H 1.2067 0.2578 -0.1286 0.050 Uiso 1 1 calc R U . . .
O3 O 1.0785(3) 0.4413(2) 0.25242(18) 0.0422(9) Uani 1 1 d . . . . .
C8 C 1.1043(6) 0.5000 0.2813(4) 0.0338(16) Uani 1 2 d S T P . .
C9 C 1.1711(7) 0.5000 0.3559(4) 0.0421(19) Uani 1 2 d S T P . .
H9A H 1.1536 0.4578 0.3834 0.055 Uiso 0.5 1 calc R U P . .
H9B H 1.1536 0.5422 0.3834 0.055 Uiso 0.5 1 calc R U P . .
C10 C 1.2865(7) 0.5000 0.3551(5) 0.052(2) Uani 1 2 d S T P . .
C11 C 1.3392(10) 0.5000 0.4333(7) 0.094(4) Uani 1 2 d S T P . .
H11A H 1.3301 0.4553 0.4547 0.104 Uiso 1 1 d . U . . .
H11B H 1.4162 0.5000 0.4298 0.104 Uiso 1 2 d S U P . .
C12 C 1.3186(6) 0.4346(4) 0.3165(5) 0.074(2) Uani 1 1 d . . . . .
H12A H 1.3930 0.4350 0.3173 0.082 Uiso 1 1 calc R U . . .
H12B H 1.2846 0.4343 0.2654 0.082 Uiso 1 1 calc R U . . .
H12C H 1.2990 0.3922 0.3418 0.082 Uiso 1 1 calc R U . . .
N2 N 0.9042(5) 0.3299(3) 0.2614(3) 0.0574(15) Uani 1 1 d . . . . .
O4 O 0.9742(3) 0.3020(2) 0.2308(2) 0.0478(10) Uani 1 1 d . . . . .
O5 O 0.8672(4) 0.3889(3) 0.2351(2) 0.0547(11) Uani 1 1 d . . . . .
O6 O 0.8720(5) 0.3023(4) 0.3137(3) 0.093(2) Uani 1 1 d . . . . .
O7 O 1.0773(3) 0.5000 0.1011(2) 0.0266(10) Uani 1 2 d S T P . .
C13 C 1.1864(5) 0.5000 0.1036(4) 0.0378(17) Uani 1 2 d S T P . .
H13A H 1.2040 0.4786 0.0584 0.045 Uiso 0.5 1 calc R U P A -1
H13B H 1.2180 0.4726 0.1462 0.045 Uiso 0.5 1 calc R U P A -1
H13C H 1.2119 0.5487 0.1077 0.045 Uiso 0.5 1 calc R U P A -1
O8 O 0.8889(4) 0.5000 0.1152(3) 0.0359(11) Uani 1 2 d S T P . .
C14 C 0.7803(6) 0.5000 0.1108(5) 0.046(2) Uani 1 2 d S T P . .
H14A H 0.7550 0.5488 0.1070 0.055 Uiso 0.5 1 calc R U P B -1
H14B H 0.7610 0.4779 0.1550 0.055 Uiso 0.5 1 calc R U P B -1
H14C H 0.7501 0.4733 0.0673 0.055 Uiso 0.5 1 calc R U P B -1
O9 O 1.0000 0.3983(2) 0.0000 0.0282(10) Uani 1 2 d S T P . .
O10 O 1.0000 0.2335(3) 0.0000 0.0503(14) Uani 1 2 d S T P . .
H10O H 1.0139 0.2140 -0.0310 0.050 Uiso 0.5 1 d . . P . .
C15 C 0.9900(14) 0.1840(7) 0.0507(8) 0.068(4) Uani 0.5 1 d . . P C -1
H15A H 0.9903 0.2066 0.0987 0.102 Uiso 0.5 1 calc . U P D -1
H15B H 1.0472 0.1505 0.0535 0.102 Uiso 0.5 1 calc . U P E -1
H15C H 0.9253 0.1586 0.0371 0.102 Uiso 0.5 1 calc . U P F -1
N3 N 1.0614(15) 0.1543(11) -0.1221(11) 0.114(6) Uiso 0.5 1 d . . P G -2
C16 C 1.094(2) 0.1353(17) -0.1791(17) 0.137(9) Uiso 0.5 1 d . . P G -2
C17 C 1.0974(16) 0.1292(12) -0.2530(11) 0.094(6) Uiso 0.5 1 d . . P G -2
H17A H 1.1571 0.1009 -0.2609 0.142 Uiso 0.5 1 calc R U P G -2
H17B H 1.0348 0.1060 -0.2767 0.142 Uiso 0.5 1 calc R U P G -2
H17C H 1.1027 0.1764 -0.2743 0.142 Uiso 0.5 1 calc R U P G -2
H1A H 1.170(4) 0.253(3) 0.180(3) 0.025(13) Uiso 1 1 d . . . . .
H1B H 1.238(4) 0.311(3) 0.198(3) 0.041(16) Uiso 1 1 d . . . . .
H3 H 1.370(4) 0.190(3) 0.167(3) 0.038(15) Uiso 1 1 d . . . . .
H5 H 1.383(5) 0.206(4) -0.057(4) 0.07(2) Uiso 1 1 d . . . . .
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'
Cu Cu 0.3201 1.2651 '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 O2 100.61(13) . 2_755 ?
O1 Dy1 O8 149.05(16) . . ?
O2 Dy1 O8 88.66(14) 2_755 . ?
O1 Dy1 O3 88.51(13) . . ?
O2 Dy1 O3 150.80(12) 2_755 . ?
O8 Dy1 O3 97.67(15) . . ?
O1 Dy1 O7 86.51(13) . . ?
O2 Dy1 O7 129.39(13) 2_755 . ?
O8 Dy1 O7 65.37(15) . . ?
O3 Dy1 O7 78.41(13) . . ?
O1 Dy1 O5 129.92(14) . . ?
O2 Dy1 O5 77.76(13) 2_755 . ?
O8 Dy1 O5 80.79(17) . . ?
O3 Dy1 O5 75.21(14) . . ?
O7 Dy1 O5 133.32(14) . . ?
O1 Dy1 O4 78.43(14) . . ?
O2 Dy1 O4 78.62(12) 2_755 . ?
O8 Dy1 O4 132.51(17) . . ?
O3 Dy1 O4 76.13(13) . . ?
O7 Dy1 O4 150.61(14) . . ?
O5 Dy1 O4 51.90(16) . . ?
O1 Dy1 O9 71.18(9) . . ?
O2 Dy1 O9 69.53(10) 2_755 . ?
O8 Dy1 O9 84.96(15) . . ?
O3 Dy1 O9 139.22(11) . . ?
O7 Dy1 O9 65.74(12) . . ?
O5 Dy1 O9 144.51(11) . . ?
O4 Dy1 O9 130.09(14) . . ?
N1 Cu1 O9 178.99(16) . . ?
N1 Cu1 O2 84.08(16) . . ?
O9 Cu1 O2 95.16(10) . . ?
N1 Cu1 O1 83.94(16) . . ?
O9 Cu1 O1 96.78(10) . . ?
O2 Cu1 O1 167.48(14) . . ?
N1 Cu1 Dy1 126.06(12) . . ?
O9 Cu1 Dy1 54.660(15) . . ?
O2 Cu1 Dy1 149.68(10) . . ?
O1 Cu1 Dy1 42.13(10) . . ?
N1 Cu1 Dy1 125.61(12) . 2_755 ?
O9 Cu1 Dy1 53.638(14) . 2_755 ?
O2 Cu1 Dy1 41.54(10) . 2_755 ?
O1 Cu1 Dy1 150.34(10) . 2_755 ?
Dy1 Cu1 Dy1 108.279(17) . 2_755 ?
O9 Cu2 O9 180.0 5_765 . ?
O9 Cu2 O7 90.0 5_765 5_765 ?
O9 Cu2 O7 90.0 . 5_765 ?
O9 Cu2 O7 90.0 5_765 . ?
O9 Cu2 O7 90.0 . . ?
O7 Cu2 O7 180.0 5_765 . ?
O9 Cu2 Dy1 54.938(4) 5_765 6_565 ?
O9 Cu2 Dy1 125.062(4) . 6_565 ?
O7 Cu2 Dy1 132.42(8) 5_765 6_565 ?
O7 Cu2 Dy1 47.58(8) . 6_565 ?
O9 Cu2 Dy1 125.062(4) 5_765 2_755 ?
O9 Cu2 Dy1 54.938(4) . 2_755 ?
O7 Cu2 Dy1 47.58(8) 5_765 2_755 ?
O7 Cu2 Dy1 132.42(8) . 2_755 ?
Dy1 Cu2 Dy1 180.0 6_565 2_755 ?
C1 O1 Cu1 113.0(3) . . ?
C1 O1 Dy1 144.5(3) . . ?
Cu1 O1 Dy1 102.13(13) . . ?
C7 O2 Cu1 113.6(3) . . ?
C7 O2 Dy1 142.5(3) . 2_755 ?
Cu1 O2 Dy1 103.85(14) . 2_755 ?
C6 N1 C2 124.1(5) . . ?
C6 N1 Cu1 117.7(3) . . ?
C2 N1 Cu1 117.9(4) . . ?
O1 C1 C2 111.8(4) . . ?
O1 C1 H1A 109(3) . . ?
C2 C1 H1A 107(3) . . ?
O1 C1 H1B 111(4) . . ?
C2 C1 H1B 112(4) . . ?
H1A C1 H1B 106(5) . . ?
N1 C2 C3 119.2(5) . . ?
N1 C2 C1 113.1(4) . . ?
C3 C2 C1 127.7(5) . . ?
C4 C3 C2 118.4(5) . . ?
C4 C3 H3 114(3) . . ?
C2 C3 H3 127(3) . . ?
C3 C4 C5 120.8(6) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 118.4(6) . . ?
C6 C5 H5 109(4) . . ?
C4 C5 H5 132(4) . . ?
N1 C6 C5 119.2(5) . . ?
N1 C6 C7 112.7(4) . . ?
C5 C6 C7 128.2(5) . . ?
O2 C7 C6 111.6(4) . . ?
O2 C7 H7A 109.3 . . ?
C6 C7 H7A 109.3 . . ?
O2 C7 H7B 109.3 . . ?
C6 C7 H7B 109.3 . . ?
H7A C7 H7B 108.0 . . ?
C8 O3 Dy1 137.0(4) . . ?
O3 C8 O3 124.2(6) . 6_565 ?
O3 C8 C9 117.9(3) . . ?
O3 C8 C9 117.9(3) 6_565 . ?
C8 C9 C10 116.2(7) . . ?
C8 C9 H9A 108.2 . . ?
C10 C9 H9A 108.2 . . ?
C8 C9 H9B 108.2 . . ?
C10 C9 H9B 108.2 . . ?
H9A C9 H9B 107.4 . . ?
C11 C10 C12 109.0(6) . . ?
C11 C10 C12 109.0(6) . 6_565 ?
C12 C10 C12 109.3(9) . 6_565 ?
C11 C10 C9 108.3(9) . . ?
C12 C10 C9 110.6(5) . . ?
C12 C10 C9 110.6(5) 6_565 . ?
C10 C11 H11A 109.2 . . ?
C10 C11 H11B 105.2 . . ?
H11A C11 H11B 102.2 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O6 N2 O4 122.2(7) . . ?
O6 N2 O5 120.6(7) . . ?
O4 N2 O5 117.3(5) . . ?
O6 N2 Dy1 176.8(5) . . ?
O4 N2 Dy1 59.0(3) . . ?
O5 N2 Dy1 58.4(3) . . ?
N2 O4 Dy1 95.3(3) . . ?
N2 O5 Dy1 95.4(4) . . ?
C13 O7 Cu2 114.0(4) . . ?
C13 O7 Dy1 122.44(18) . . ?
Cu2 O7 Dy1 95.00(14) . . ?
C13 O7 Dy1 122.44(18) . 6_565 ?
Cu2 O7 Dy1 95.00(14) . 6_565 ?
Dy1 O7 Dy1 101.65(17) . 6_565 ?
O7 C13 H13A 109.5 . . ?
O7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C14 O8 Dy1 122.71(16) . 6_565 ?
C14 O8 Dy1 122.71(16) . . ?
Dy1 O8 Dy1 110.1(2) 6_565 . ?
O8 C14 H14A 109.5 . . ?
O8 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O8 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Cu1 O9 Cu1 107.8(2) 2_755 . ?
Cu1 O9 Cu2 126.10(11) 2_755 . ?
Cu1 O9 Cu2 126.10(11) . . ?
Cu1 O9 Dy1 91.43(6) 2_755 . ?
Cu1 O9 Dy1 89.89(6) . . ?
Cu2 O9 Dy1 88.87(9) . . ?
Cu1 O9 Dy1 89.89(6) 2_755 2_755 ?
Cu1 O9 Dy1 91.44(6) . 2_755 ?
Cu2 O9 Dy1 88.87(9) . 2_755 ?
Dy1 O9 Dy1 177.75(19) . 2_755 ?
C15 O10 H10O 104.7 . . ?
O10 C15 H15A 109.5 . . ?
O10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C16 C17 158(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
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 2.241(3) . ?
Dy1 O2 2.259(3) 2_755 ?
Dy1 O8 2.282(3) . ?
Dy1 O3 2.322(3) . ?
Dy1 O7 2.412(3) . ?
Dy1 O5 2.478(4) . ?
Dy1 O4 2.492(4) . ?
Dy1 O9 2.6644(2) . ?
Cu1 N1 1.879(4) . ?
Cu1 O9 1.894(3) . ?
Cu1 O2 1.935(3) . ?
Cu1 O1 1.951(3) . ?
Cu1 Dy1 3.3076(6) 2_755 ?
Cu2 O9 1.922(4) 5_765 ?
Cu2 O9 1.922(4) . ?
Cu2 O7 1.985(4) 5_765 ?
Cu2 O7 1.985(4) . ?
Cu2 Dy1 3.2545(2) 6_565 ?
Cu2 Dy1 3.2545(2) 2_755 ?
O1 C1 1.416(6) . ?
O2 C7 1.405(6) . ?
O2 Dy1 2.259(3) 2_755 ?
N1 C6 1.333(7) . ?
N1 C2 1.336(6) . ?
C1 C2 1.512(7) . ?
C1 H1A 0.89(5) . ?
C1 H1B 0.90(6) . ?
C2 C3 1.383(8) . ?
C3 C4 1.383(9) . ?
C3 H3 0.97(6) . ?
C4 C5 1.396(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(8) . ?
C5 H5 0.99(7) . ?
C6 C7 1.520(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
O3 C8 1.256(5) . ?
C8 O3 1.256(5) 6_565 ?
C8 C9 1.518(9) . ?
C9 C10 1.525(13) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.504(13) . ?
C10 C12 1.516(10) . ?
C10 C12 1.516(10) 6_565 ?
C11 H11A 0.9461 . ?
C11 H11B 1.0283 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
N2 O6 1.223(7) . ?
N2 O4 1.263(7) . ?
N2 O5 1.284(7) . ?
O7 C13 1.435(8) . ?
O7 Dy1 2.412(3) 6_565 ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
O8 C14 1.423(9) . ?
O8 Dy1 2.282(3) 6_565 ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
O9 Cu1 1.894(3) 2_755 ?
O9 Dy1 2.6644(2) 2_755 ?
O10 C15 1.341(14) . ?
O10 H10O 0.7240 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
N3 C16 1.25(3) . ?
C16 C17 1.37(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
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
C13 H13C O1 0.98 2.54 3.273(4) 131.3 6_565
C14 H14A O2 0.98 2.64 3.327(5) 127.7 5_765
C14 H14B O5 0.98 2.52 3.193(8) 125.4 .
O10 H10O N3 0.72 2.19 2.91(2) 177.8 .
C17 H17C O6 0.98 2.53 3.50(2) 172.8 2_755
C3 H3 O4 0.97(6) 2.58(6) 3.404(7) 143(4) 7_755
C5 H5 O6 0.99(7) 2.36(7) 3.290(8) 155(6) 8_554
