#------------------------------------------------------------------------------
#$Date: 2025-08-21 17:09:30 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/70/7047031.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_7047031
loop_
_publ_author_name
'Alexandropoulos, Dimitris I.'
'Cunha-Silva, Luis'
'Tang, Jinkui'
'Stamatatos, Theocharis C.'
_publ_section_title
;
 Heterometallic Cu/Ln cluster chemistry: ferromagnetically-coupled
 {Cu₄Ln₂} complexes exhibiting single-molecule
 magnetism and magnetocaloric properties.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11934
_journal_page_last               11941
_journal_paper_doi               10.1039/c8dt01780h
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C30 H30 Cu4 Dy2 N16 O30, 2(C2 H3 N)'
_chemical_formula_sum            'C34 H36 Cu4 Dy2 N18 O30'
_chemical_formula_weight         1755.97
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             '2 May 2018'
_audit_creation_method           'SHELXL-2014/7 and enCIFer'
_audit_update_record
;
2018-05-02 deposited with the CCDC.
2018-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                83.608(11)
_cell_angle_beta                 76.354(13)
_cell_angle_gamma                81.327(11)
_cell_formula_units_Z            1
_cell_length_a                   11.428(3)
_cell_length_b                   11.885(4)
_cell_length_c                   12.111(4)
_cell_measurement_reflns_used    8565
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.74
_cell_measurement_theta_min      2.23
_cell_volume                     1575.3(9)
_computing_cell_refinement       'SAINT (Bruker AXS Inc., 2012)'
_computing_data_collection       'APEX2 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS (Sheldrick, 2014)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.934
_diffrn_reflns_Laue_measured_fraction_max 0.932
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12642
_diffrn_reflns_point_group_measured_fraction_full 0.934
_diffrn_reflns_point_group_measured_fraction_max 0.932
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.740
_diffrn_reflns_theta_min         3.700
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.762
_exptl_absorpt_correction_T_max  0.686
_exptl_absorpt_correction_T_min  0.503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
'SADABS V2012/1 (Bruker AXS Inc.)' 
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_description       plate
_exptl_crystal_F_000             854
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.572
_refine_diff_density_min         -0.932
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.727
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         5629
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.727
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0524P)²+14.1009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0761
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4978
_reflns_number_total             5629
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01780h2.cif
_cod_data_source_block           cudy_sq(Cu4Dy2)
_cod_depositor_comments
'Adding full bibliography for 7047029--7047031.cif.'
_cod_original_cell_volume        1575.3(8)
_cod_database_code               7047031
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.551
_shelx_estimated_absorpt_t_max   0.705
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.39380(2) 0.65877(2) 0.38663(2) 0.01149(7) Uani 1 1 d . .
Cu1 Cu 0.67472(4) 0.68654(4) 0.41663(4) 0.01275(12) Uani 1 1 d . .
Cu2 Cu 0.55856(5) 0.26888(4) 0.37302(4) 0.01253(12) Uani 1 1 d . .
O1 O 0.5949(3) 0.5800(2) 0.3611(2) 0.0113(6) Uani 1 1 d . .
O2 O 0.6264(3) 0.3877(2) 0.4206(2) 0.0120(6) Uani 1 1 d . .
O3 O 0.5084(3) 0.7663(2) 0.4646(2) 0.0126(6) Uani 1 1 d D .
H5 H 0.509(5) 0.836(2) 0.433(4) 0.019 Uiso 1 1 d D U
O4 O 0.3700(3) 0.4546(3) 0.3945(2) 0.0162(6) Uani 1 1 d . .
O5 O 0.3176(3) 0.3772(3) 0.2602(3) 0.0204(7) Uani 1 1 d . .
O6 O 0.3492(3) 0.5555(3) 0.2392(3) 0.0207(7) Uani 1 1 d . .
O7 O 0.1750(3) 0.6622(3) 0.4357(3) 0.0210(7) Uani 1 1 d . .
O8 O 0.0439(3) 0.8055(3) 0.5046(4) 0.0372(10) Uani 1 1 d . .
O9 O 0.2376(3) 0.8076(3) 0.4885(3) 0.0217(7) Uani 1 1 d . .
O10 O 0.3040(3) 0.8060(3) 0.2575(3) 0.0311(9) Uani 1 1 d . .
O11 O 0.4042(4) 0.8717(4) 0.0921(3) 0.0438(11) Uani 1 1 d . .
O12 O 0.4946(3) 0.7484(3) 0.2030(3) 0.0238(8) Uani 1 1 d . .
O13 O 0.4975(3) 0.1495(3) 0.3139(3) 0.0196(7) Uani 1 1 d . .
O14 O 0.6115(3) 0.0326(3) 0.4093(3) 0.0338(9) Uani 1 1 d . .
O15 O 0.4850(3) -0.0308(3) 0.3297(3) 0.0285(8) Uani 1 1 d . .
N1 N 0.8192(3) 0.5736(3) 0.3739(3) 0.0156(8) Uani 1 1 d . .
N2 N 0.6078(3) 0.3455(3) 0.2213(3) 0.0145(8) Uani 1 1 d . .
N3 N 0.3443(3) 0.4590(3) 0.2959(3) 0.0138(8) Uani 1 1 d . .
N4 N 0.1486(4) 0.7607(4) 0.4782(4) 0.0233(9) Uani 1 1 d . .
N5 N 0.4008(4) 0.8113(3) 0.1807(3) 0.0250(9) Uani 1 1 d . .
N6 N 0.5329(4) 0.0471(3) 0.3516(3) 0.0205(9) Uani 1 1 d . .
N7 N 0.7452(3) 0.7826(3) 0.5013(3) 0.0194(8) Uani 1 1 d . .
C1 C 0.9338(4) 0.5839(4) 0.3780(5) 0.0261(11) Uani 1 1 d . .
H1 H 0.9488 0.6481 0.4104 0.031 Uiso 1 1 calc R U
C2 C 1.0294(4) 0.5041(5) 0.3367(5) 0.0347(13) Uani 1 1 d . .
H2 H 1.1096 0.5131 0.3400 0.042 Uiso 1 1 calc R U
C3 C 1.0076(4) 0.4103(5) 0.2903(5) 0.0317(13) Uani 1 1 d . .
H3 H 1.0728 0.3544 0.2609 0.038 Uiso 1 1 calc R U
C4 C 0.8898(4) 0.3986(4) 0.2871(4) 0.0221(10) Uani 1 1 d . .
H4 H 0.8726 0.3350 0.2553 0.026 Uiso 1 1 calc R U
C5 C 0.7975(4) 0.4822(4) 0.3314(3) 0.0126(9) Uani 1 1 d . .
C6 C 0.6634(4) 0.4745(4) 0.3375(3) 0.0112(8) Uani 1 1 d . .
C7 C 0.6499(4) 0.4444(4) 0.2208(3) 0.0125(9) Uani 1 1 d . .
C8 C 0.6793(4) 0.5161(4) 0.1235(4) 0.0174(9) Uani 1 1 d . .
H8 H 0.7086 0.5861 0.1266 0.021 Uiso 1 1 calc R U
C9 C 0.6652(5) 0.4844(4) 0.0211(4) 0.0223(10) Uani 1 1 d . .
H9 H 0.6849 0.5321 -0.0472 0.027 Uiso 1 1 calc R U
C10 C 0.6220(5) 0.3818(4) 0.0204(4) 0.0235(11) Uani 1 1 d . .
H10 H 0.6118 0.3582 -0.0488 0.028 Uiso 1 1 calc R U
C11 C 0.5938(4) 0.3143(4) 0.1204(4) 0.0196(10) Uani 1 1 d . .
H11 H 0.5639 0.2441 0.1193 0.024 Uiso 1 1 calc R U
C12 C 0.7652(5) 0.8368(5) 0.5638(5) 0.0285(12) Uani 1 1 d . .
C13 C 0.7892(6) 0.9073(6) 0.6461(7) 0.0523(19) Uani 1 1 d . .
H13A H 0.7178 0.9171 0.7093 0.078 Uiso 1 1 calc R U
H13B H 0.8065 0.9822 0.6084 0.078 Uiso 1 1 calc R U
H13C H 0.8592 0.8697 0.6757 0.078 Uiso 1 1 calc R U
N8 N 0.7387(4) 0.7984(4) 0.2438(4) 0.0280(10) Uani 1 1 d . .
C14 C 0.7201(6) 0.8551(6) 0.1685(6) 0.0508(17) Uani 1 1 d . .
C15 C 0.6921(10) 0.9299(11) 0.0680(9) 0.119(5) Uani 1 1 d . .
H15A H 0.6041 0.9426 0.0746 0.179 Uiso 1 1 calc R U
H15B H 0.7316 0.8928 -0.0021 0.179 Uiso 1 1 calc R U
H15C H 0.7222 1.0033 0.0655 0.179 Uiso 1 1 calc R U
N9 N 0.8486(13) 1.1298(10) 0.1670(10) 0.145(5) Uani 1 1 d . .
C16 C 0.9234(8) 0.9867(8) 0.3157(8) 0.075(2) Uani 1 1 d . .
H16A H 0.9350 1.0276 0.3774 0.113 Uiso 1 1 calc R U
H16B H 1.0003 0.9424 0.2813 0.113 Uiso 1 1 calc R U
H16C H 0.8621 0.9351 0.3463 0.113 Uiso 1 1 calc R U
C17 C 0.8845(10) 1.0649(8) 0.2333(9) 0.079(3) Uani 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'
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'
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'
H H 0.0000 0.0000 '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
O2 Dy1 O1 88.24(10) 2_666 .
O2 Dy1 O3 68.62(10) 2_666 .
O1 Dy1 O3 67.93(10) . .
O2 Dy1 O7 82.67(11) 2_666 .
O1 Dy1 O7 157.12(11) . .
O3 Dy1 O7 126.60(11) . .
O2 Dy1 O12 152.23(12) 2_666 .
O1 Dy1 O12 75.19(10) . .
O3 Dy1 O12 84.40(11) . .
O7 Dy1 O12 120.44(11) . .
O2 Dy1 O6 130.47(10) 2_666 .
O1 Dy1 O6 95.31(11) . .
O3 Dy1 O6 155.78(11) . .
O7 Dy1 O6 75.28(12) . .
O12 Dy1 O6 74.13(12) . .
O2 Dy1 O4 80.48(10) 2_666 .
O1 Dy1 O4 80.32(10) . .
O3 Dy1 O4 135.52(10) . .
O7 Dy1 O4 77.49(11) . .
O12 Dy1 O4 117.41(11) . .
O6 Dy1 O4 51.88(10) . .
O2 Dy1 O10 138.52(11) 2_666 .
O1 Dy1 O10 126.76(11) . .
O3 Dy1 O10 101.67(12) . .
O7 Dy1 O10 71.31(12) . .
O12 Dy1 O10 51.58(12) . .
O6 Dy1 O10 73.75(12) . .
O4 Dy1 O10 122.45(12) . .
O2 Dy1 O9 72.56(10) 2_666 .
O1 Dy1 O9 143.40(11) . .
O3 Dy1 O9 76.02(10) . .
O7 Dy1 O9 52.26(11) . .
O12 Dy1 O9 108.05(11) . .
O6 Dy1 O9 120.95(11) . .
O4 Dy1 O9 124.71(11) . .
O10 Dy1 O9 65.98(12) . .
O2 Dy1 N4 77.84(11) 2_666 .
O1 Dy1 N4 165.11(11) . .
O3 Dy1 N4 101.56(11) . .
O7 Dy1 N4 26.43(12) . .
O12 Dy1 N4 115.34(11) . .
O6 Dy1 N4 97.74(12) . .
O4 Dy1 N4 102.25(11) . .
O10 Dy1 N4 64.39(12) . .
O9 Dy1 N4 25.94(11) . .
O2 Dy1 N3 105.55(10) 2_666 .
O1 Dy1 N3 88.62(10) . .
O3 Dy1 N3 155.63(10) . .
O7 Dy1 N3 73.81(11) . .
O12 Dy1 N3 96.32(11) . .
O6 Dy1 N3 25.74(10) . .
O4 Dy1 N3 26.17(10) . .
O10 Dy1 N3 97.67(12) . .
O9 Dy1 N3 126.03(10) . .
N4 Dy1 N3 100.10(11) . .
O2 Dy1 N5 155.76(11) 2_666 .
O1 Dy1 N5 101.03(11) . .
O3 Dy1 N5 93.98(11) . .
O7 Dy1 N5 95.70(12) . .
O12 Dy1 N5 25.83(12) . .
O6 Dy1 N5 71.43(11) . .
O4 Dy1 N5 122.95(11) . .
O10 Dy1 N5 25.77(12) . .
O9 Dy1 N5 87.26(12) . .
N4 Dy1 N5 89.93(12) . .
N3 Dy1 N5 97.10(11) . .
O1 Cu1 N1 83.45(14) . .
O1 Cu1 O3 83.98(12) . .
N1 Cu1 O3 165.78(14) . .
O1 Cu1 N7 169.64(14) . .
N1 Cu1 N7 97.79(16) . .
O3 Cu1 N7 93.41(14) . .
O1 Cu1 N8 99.26(15) . .
N1 Cu1 N8 89.74(15) . .
O3 Cu1 N8 98.83(13) . .
N7 Cu1 N8 91.04(16) . .
O1 Cu1 Dy1 41.12(8) . .
N1 Cu1 Dy1 124.56(12) . .
O3 Cu1 Dy1 43.15(9) . .
N7 Cu1 Dy1 136.39(11) . .
N8 Cu1 Dy1 98.32(11) . .
O2 Cu2 O13 175.82(13) . .
O2 Cu2 N2 83.85(14) . .
O13 Cu2 N2 92.41(15) . .
O2 Cu2 O3 85.76(12) . 2_666
O13 Cu2 O3 98.27(13) . 2_666
N2 Cu2 O3 164.65(14) . 2_666
O2 Cu2 Dy1 42.68(8) . 2_666
O13 Cu2 Dy1 140.93(9) . 2_666
N2 Cu2 Dy1 126.46(12) . 2_666
O3 Cu2 Dy1 44.81(9) 2_666 2_666
C6 O1 Cu1 115.6(3) . .
C6 O1 Dy1 137.6(3) . .
Cu1 O1 Dy1 105.60(12) . .
C6 O2 Cu2 116.6(3) . .
C6 O2 Dy1 140.1(3) . 2_666
Cu2 O2 Dy1 103.12(12) . 2_666
Cu2 O3 Cu1 111.29(13) 2_666 .
Cu2 O3 Dy1 99.52(12) 2_666 .
Cu1 O3 Dy1 101.98(13) . .
Cu2 O3 H5 123(3) 2_666 .
Cu1 O3 H5 106(3) . .
Dy1 O3 H5 113(4) . .
N3 O4 Dy1 96.1(2) . .
N3 O6 Dy1 97.0(2) . .
N4 O7 Dy1 97.2(3) . .
N4 O9 Dy1 93.8(3) . .
N5 O10 Dy1 96.1(2) . .
N5 O12 Dy1 97.2(3) . .
N6 O13 Cu2 114.6(3) . .
C5 N1 C1 119.3(4) . .
C5 N1 Cu1 113.9(3) . .
C1 N1 Cu1 126.6(3) . .
C7 N2 C11 118.1(4) . .
C7 N2 Cu2 114.1(3) . .
C11 N2 Cu2 127.4(3) . .
O5 N3 O6 122.7(4) . .
O5 N3 O4 122.5(4) . .
O6 N3 O4 114.8(4) . .
O5 N3 Dy1 176.8(3) . .
O6 N3 Dy1 57.2(2) . .
O4 N3 Dy1 57.7(2) . .
O8 N4 O9 122.6(4) . .
O8 N4 O7 121.2(4) . .
O9 N4 O7 116.3(4) . .
O8 N4 Dy1 172.9(4) . .
O9 N4 Dy1 60.3(2) . .
O7 N4 Dy1 56.3(2) . .
O11 N5 O10 122.6(4) . .
O11 N5 O12 122.3(4) . .
O10 N5 O12 115.1(4) . .
O11 N5 Dy1 177.6(4) . .
O10 N5 Dy1 58.1(2) . .
O12 N5 Dy1 57.0(2) . .
O15 N6 O14 123.5(4) . .
O15 N6 O13 117.7(4) . .
O14 N6 O13 118.8(4) . .
C12 N7 Cu1 167.1(4) . .
N1 C1 C2 121.6(5) . .
N1 C1 H1 119.2 . .
C2 C1 H1 119.2 . .
C1 C2 C3 119.2(5) . .
C1 C2 H2 120.4 . .
C3 C2 H2 120.4 . .
C2 C3 C4 119.4(5) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
C3 C4 C5 118.2(5) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
N1 C5 C4 122.2(4) . .
N1 C5 C6 115.4(4) . .
C4 C5 C6 122.5(4) . .
O1 C6 O2 112.3(3) . .
O1 C6 C5 109.7(4) . .
O2 C6 C5 108.2(3) . .
O1 C6 C7 108.4(3) . .
O2 C6 C7 109.3(4) . .
C5 C6 C7 109.0(3) . .
N2 C7 C8 123.0(4) . .
N2 C7 C6 115.5(4) . .
C8 C7 C6 121.5(4) . .
C7 C8 C9 118.9(4) . .
C7 C8 H8 120.5 . .
C9 C8 H8 120.5 . .
C10 C9 C8 118.7(4) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
C11 C10 C9 119.6(4) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
N2 C11 C10 121.7(4) . .
N2 C11 H11 119.2 . .
C10 C11 H11 119.2 . .
N7 C12 C13 179.0(6) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C14 N8 Cu1 152.0(5) . .
N8 C14 C15 178.5(8) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C17 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N9 C17 C16 177.8(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O2 2.304(3) 2_666
Dy1 O1 2.310(3) .
Dy1 O3 2.365(3) .
Dy1 O7 2.425(3) .
Dy1 O12 2.458(3) .
Dy1 O6 2.462(3) .
Dy1 O4 2.471(3) .
Dy1 O10 2.484(3) .
Dy1 O9 2.516(3) .
Dy1 N4 2.891(4) .
Dy1 N3 2.906(4) .
Dy1 N5 2.908(4) .
Cu1 O1 1.927(3) .
Cu1 N1 1.970(4) .
Cu1 O3 1.977(3) .
Cu1 N7 1.982(4) .
Cu1 N8 2.373(4) .
Cu2 O2 1.910(3) .
Cu2 O13 1.942(3) .
Cu2 N2 1.954(4) .
Cu2 O3 1.957(3) 2_666
Cu2 Dy1 3.3098(11) 2_666
O1 C6 1.394(5) .
O2 C6 1.399(5) .
O2 Dy1 2.304(3) 2_666
O3 Cu2 1.957(3) 2_666
O3 H5 0.88(2) .
O4 N3 1.289(5) .
O5 N3 1.212(5) .
O6 N3 1.272(5) .
O7 N4 1.297(5) .
O8 N4 1.218(5) .
O9 N4 1.267(5) .
O10 N5 1.271(6) .
O11 N5 1.218(5) .
O12 N5 1.277(5) .
O13 N6 1.292(5) .
O14 N6 1.245(5) .
O15 N6 1.225(5) .
N1 C5 1.332(6) .
N1 C1 1.346(6) .
N2 C7 1.334(6) .
N2 C11 1.367(6) .
N7 C12 1.129(7) .
C1 C2 1.371(7) .
C1 H1 0.9500 .
C2 C3 1.382(8) .
C2 H2 0.9500 .
C3 C4 1.384(7) .
C3 H3 0.9500 .
C4 C5 1.387(6) .
C4 H4 0.9500 .
C5 C6 1.532(6) .
C6 C7 1.543(6) .
C7 C8 1.381(6) .
C8 C9 1.386(7) .
C8 H8 0.9500 .
C9 C10 1.385(7) .
C9 H9 0.9500 .
C10 C11 1.375(6) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C13 1.469(8) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
N8 C14 1.116(8) .
C14 C15 1.494(10) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
N9 C17 1.154(13) .
C16 C17 1.390(12) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
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
Dy1 O6 N3 O5 176.2(3) .
Dy1 O6 N3 O4 -3.9(3) .
Dy1 O4 N3 O5 -176.2(3) .
Dy1 O4 N3 O6 3.8(3) .
Dy1 O9 N4 O8 -172.4(4) .
Dy1 O9 N4 O7 6.4(4) .
Dy1 O7 N4 O8 172.1(4) .
Dy1 O7 N4 O9 -6.7(4) .
Dy1 O10 N5 O11 177.3(4) .
Dy1 O10 N5 O12 -2.6(4) .
Dy1 O12 N5 O11 -177.2(4) .
Dy1 O12 N5 O10 2.6(4) .
Cu2 O13 N6 O15 170.5(3) .
Cu2 O13 N6 O14 -8.3(5) .
C5 N1 C1 C2 1.8(8) .
Cu1 N1 C1 C2 -174.2(4) .
N1 C1 C2 C3 -0.4(9) .
C1 C2 C3 C4 -0.4(9) .
C2 C3 C4 C5 -0.2(8) .
C1 N1 C5 C4 -2.5(7) .
Cu1 N1 C5 C4 174.0(3) .
C1 N1 C5 C6 176.2(4) .
Cu1 N1 C5 C6 -7.3(4) .
C3 C4 C5 N1 1.7(7) .
C3 C4 C5 C6 -176.9(4) .
Cu1 O1 C6 O2 105.0(3) .
Dy1 O1 C6 O2 -59.9(5) .
Cu1 O1 C6 C5 -15.3(4) .
Dy1 O1 C6 C5 179.8(2) .
Cu1 O1 C6 C7 -134.2(3) .
Dy1 O1 C6 C7 60.9(5) .
Cu2 O2 C6 O1 114.8(3) .
Dy1 O2 C6 O1 -59.3(5) 2_666
Cu2 O2 C6 C5 -124.0(3) .
Dy1 O2 C6 C5 61.9(5) 2_666
Cu2 O2 C6 C7 -5.4(4) .
Dy1 O2 C6 C7 -179.6(3) 2_666
N1 C5 C6 O1 14.7(5) .
C4 C5 C6 O1 -166.7(4) .
N1 C5 C6 O2 -108.1(4) .
C4 C5 C6 O2 70.6(5) .
N1 C5 C6 C7 133.1(4) .
C4 C5 C6 C7 -48.2(5) .
C11 N2 C7 C8 0.3(6) .
Cu2 N2 C7 C8 -174.2(3) .
C11 N2 C7 C6 180.0(4) .
Cu2 N2 C7 C6 5.4(4) .
O1 C6 C7 N2 -122.8(4) .
O2 C6 C7 N2 -0.2(5) .
C5 C6 C7 N2 117.9(4) .
O1 C6 C7 C8 56.8(5) .
O2 C6 C7 C8 179.5(4) .
C5 C6 C7 C8 -62.5(5) .
N2 C7 C8 C9 -0.4(7) .
C6 C7 C8 C9 180.0(4) .
C7 C8 C9 C10 0.2(7) .
C8 C9 C10 C11 0.1(7) .
C7 N2 C11 C10 0.0(6) .
Cu2 N2 C11 C10 173.7(4) .
C9 C10 C11 N2 -0.2(7) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139173154
