#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/95/7109504.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_7109504
loop_
_publ_author_name
'Jun-Liang Liu'
'Yan-Cong Chen'
'Quan-Wen Li'
'Silvia Gomez-Coca'
'Daniel Aravena'
'Eliseo Ruiz'
'Wei-Quan Lin'
'Ji-Dong Leng'
'Ming-Liang Tong'
_publ_section_title
;
 Two 3d-4f nanomagnets formed via a two-step in situ reaction of
 picolinaldehyde
;
_journal_name_full               Chem.Commun.
_journal_page_first              6549
_journal_paper_doi               10.1039/c3cc43200a
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C52 H83 Cu7 Dy2 N10 O52.5'
_chemical_formula_weight         2458.06
_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                99.682(2)
_cell_angle_beta                 102.582(2)
_cell_angle_gamma                105.718(3)
_cell_formula_units_Z            2
_cell_length_a                   11.6017(10)
_cell_length_b                   12.0819(9)
_cell_length_c                   15.5313(11)
_cell_measurement_temperature    298(2)
_cell_volume                     1984.6(3)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDE IP'
_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  0.1192
_diffrn_reflns_av_sigmaI/netI    0.1323
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15328
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    7.620
_exptl_absorpt_correction_T_max  0.7019
_exptl_absorpt_correction_T_min  0.6578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    4.113
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       trip
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         1.442
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         7458
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.1724
_refine_ls_R_factor_gt           0.1141
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0542P)²+67.4019P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2386
_refine_ls_wR_factor_ref         0.2636
_reflns_number_gt                4617
_reflns_number_total             7458
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc43200a.txt
_cod_data_source_block           2_[Dy2Cu7]
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C52 H83 Cu7 Dy2 N10 O52.50'
_cod_database_code               7109504
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
Dy1 Dy 0.23762(9) 0.31798(8) 0.30982(6) 0.0417(3) Uani 1 1 d .
Cu1 Cu 0.5188(3) 0.2645(2) 0.22836(16) 0.0552(7) Uani 1 1 d .
Cu2 Cu 0.2925(3) 0.3014(2) 0.09205(16) 0.0623(8) Uani 1 1 d .
Cu3 Cu 0.2565(2) 0.5766(2) 0.45814(15) 0.0483(6) Uani 1 1 d .
Cu4 Cu 0.5000 0.5000 0.5000 0.0424(8) Uani 1 2 d S
O1 O 0.3163(10) 0.4434(11) 0.4717(8) 0.042(3) Uani 1 1 d .
O2 O 0.4430(13) 0.4458(13) 0.3313(8) 0.056(4) Uani 1 1 d .
O3 O 0.5266(15) 0.4252(12) 0.2158(9) 0.061(4) Uani 1 1 d .
O4 O 0.1815(13) 0.4888(13) 0.3346(8) 0.057(4) Uani 1 1 d .
O5 O 0.2252(14) 0.3841(12) 0.1746(8) 0.056(4) Uani 1 1 d .
O6 O 0.3337(13) 0.2222(11) 0.1920(8) 0.055(4) Uani 1 1 d .
O7 O 0.1029(15) 0.2209(14) 0.3920(10) 0.070(4) Uani 1 1 d .
O8 O 0.0186(14) 0.2400(16) 0.2105(11) 0.085(5) Uani 1 1 d .
O9 O 0.079(2) 0.147(2) 0.0298(15) 0.118(7) Uani 1 1 d U
O10 O -0.089(4) 0.183(4) -0.002(3) 0.223(18) Uani 1 1 d U
O11 O 0.003(4) 0.150(4) -0.100(3) 0.216(15) Uani 1 1 d U
O12 O 0.4823(12) 0.6549(11) 0.4841(8) 0.047(3) Uani 1 1 d .
O13 O 0.6415(13) 0.7741(10) 0.6078(8) 0.049(3) Uani 1 1 d .
O14 O 0.7008(15) 0.3107(13) 0.2702(11) 0.067(4) Uani 1 1 d .
O15 O 0.5281(17) 0.2016(16) 0.0872(12) 0.081(5) Uani 1 1 d .
O16 O 0.353(2) 0.2216(19) 0.0050(12) 0.103(7) Uani 1 1 d .
O17 O 0.1727(17) 0.0909(12) 0.2229(10) 0.072(5) Uani 1 1 d .
O18 O 0.3068(14) 0.6506(11) 0.5870(8) 0.054(4) Uani 1 1 d .
O19 O 0.1843(12) 0.5644(12) 0.2041(8) 0.050(3) Uani 1 1 d .
N1 N 0.2561(19) 0.4150(18) 0.0195(13) 0.071(5) Uani 1 1 d .
N1W N -0.204(2) -0.241(3) 0.3795(16) 0.090(7) Uani 1 1 d .
N2 N 0.1886(18) 0.6945(14) 0.4158(10) 0.058(5) Uani 1 1 d .
N3 N 0.482(2) 0.0994(17) 0.2459(10) 0.062(5) Uani 1 1 d .
N4 N -0.005(3) 0.169(3) -0.021(2) 0.110(9) Uani 1 1 d U
C1 C 0.285(3) 0.427(3) -0.0592(16) 0.085(9) Uani 1 1 d .
H1A H 0.3201 0.3755 -0.0873 0.102 Uiso 1 1 calc R
C2 C 0.264(3) 0.516(3) -0.096(2) 0.104(10) Uani 1 1 d .
H2A H 0.2871 0.5233 -0.1487 0.125 Uiso 1 1 calc R
C3 C 0.209(3) 0.597(3) -0.0611(18) 0.082(8) Uani 1 1 d .
H3A H 0.1965 0.6577 -0.0875 0.099 Uiso 1 1 calc R
C4 C 0.176(3) 0.577(3) 0.0153(18) 0.091(9) Uani 1 1 d .
H4A H 0.1381 0.6268 0.0417 0.110 Uiso 1 1 calc R
C5 C 0.197(2) 0.485(2) 0.0579(15) 0.068(6) Uani 1 1 d .
C6 C 0.161(2) 0.4574(19) 0.1402(11) 0.051(5) Uani 1 1 d .
H6A H 0.0715 0.4143 0.1224 0.062 Uiso 1 1 calc R
C7 C 0.126(2) 0.5427(18) 0.2744(11) 0.049(5) Uani 1 1 d .
H7A H 0.0391 0.4927 0.2461 0.059 Uiso 1 1 calc R
C8 C 0.1269(19) 0.666(2) 0.3254(14) 0.056(5) Uani 1 1 d .
C9 C 0.069(2) 0.735(2) 0.2814(17) 0.073(7) Uani 1 1 d .
H9A H 0.0269 0.7105 0.2197 0.087 Uiso 1 1 calc R
C10 C 0.075(3) 0.840(2) 0.3315(18) 0.083(8) Uani 1 1 d .
H10A H 0.0403 0.8903 0.3032 0.099 Uiso 1 1 calc R
C11 C 0.132(2) 0.875(2) 0.4234(18) 0.076(7) Uani 1 1 d .
H11A H 0.1334 0.9463 0.4588 0.091 Uiso 1 1 calc R
C12 C 0.185(2) 0.8014(19) 0.4590(16) 0.062(6) Uani 1 1 d .
H12A H 0.2243 0.8260 0.5210 0.074 Uiso 1 1 calc R
C13 C 0.562(2) 0.048(2) 0.2805(13) 0.069(7) Uani 1 1 d .
H13A H 0.6458 0.0937 0.3004 0.083 Uiso 1 1 calc R
C14 C 0.531(3) -0.068(2) 0.2895(15) 0.071(7) Uani 1 1 d .
H14A H 0.5915 -0.1007 0.3119 0.086 Uiso 1 1 calc R
C15 C 0.407(3) -0.131(2) 0.2637(18) 0.080(8) Uani 1 1 d .
H15A H 0.3820 -0.2079 0.2702 0.096 Uiso 1 1 calc R
C16 C 0.317(3) -0.081(2) 0.2275(16) 0.076(7) Uani 1 1 d .
H16A H 0.2326 -0.1242 0.2070 0.092 Uiso 1 1 calc R
C17 C 0.363(3) 0.042(3) 0.2241(15) 0.074(7) Uani 1 1 d .
C18 C 0.273(2) 0.1013(19) 0.1780(17) 0.065(6) Uani 1 1 d .
H18A H 0.2387 0.0635 0.1129 0.079 Uiso 1 1 calc R
C19 C 0.491(2) 0.4879(18) 0.2734(13) 0.052(5) Uani 1 1 d .
C20 C 0.496(2) 0.612(2) 0.2656(16) 0.075(7) Uani 1 1 d .
H20A H 0.5477 0.6357 0.2269 0.113 Uiso 1 1 calc R
H20B H 0.5313 0.6648 0.3248 0.113 Uiso 1 1 calc R
H20C H 0.4138 0.6131 0.2402 0.113 Uiso 1 1 calc R
C21 C 0.451(3) 0.197(2) 0.0117(18) 0.083(9) Uani 1 1 d .
C22 C 0.491(4) 0.161(3) -0.072(2) 0.140(15) Uani 1 1 d .
H22A H 0.5230 0.2303 -0.0935 0.210 Uiso 1 1 calc R
H22B H 0.4204 0.1060 -0.1187 0.210 Uiso 1 1 calc R
H22C H 0.5544 0.1252 -0.0577 0.210 Uiso 1 1 calc R
C23 C 0.246(2) 0.6435(18) 0.6452(13) 0.053(5) Uani 1 1 d .
C24 C 0.108(2) 0.590(3) 0.6154(18) 0.092(9) Uani 1 1 d .
H24A H 0.0739 0.6140 0.6638 0.138 Uiso 1 1 calc R
H24B H 0.0860 0.5051 0.6000 0.138 Uiso 1 1 calc R
H24C H 0.0743 0.6158 0.5632 0.138 Uiso 1 1 calc R
C25 C 0.556(2) 0.7578(18) 0.5377(12) 0.053(5) Uani 1 1 d .
C26 C 0.528(2) 0.8657(19) 0.5121(13) 0.060(6) Uani 1 1 d .
H26A H 0.6050 0.9275 0.5210 0.089 Uiso 1 1 calc R
H26B H 0.4811 0.8930 0.5497 0.089 Uiso 1 1 calc R
H26C H 0.4809 0.8447 0.4494 0.089 Uiso 1 1 calc R
O1W O -0.212(2) -0.340(2) 0.3970(16) 0.120(8) Uani 1 1 d .
O2W O -0.187(3) -0.157(2) 0.4400(16) 0.140(10) Uani 1 1 d .
O3W O -0.211(2) -0.229(2) 0.2997(16) 0.128(8) 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'
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
O13 Dy1 O4 138.0(4) 2_666 .
O13 Dy1 O5 137.1(5) 2_666 .
O4 Dy1 O5 73.6(4) . .
O13 Dy1 O2 78.0(5) 2_666 .
O4 Dy1 O2 86.5(5) . .
O5 Dy1 O2 76.2(5) . .
O13 Dy1 O7 77.0(5) 2_666 .
O4 Dy1 O7 93.1(5) . .
O5 Dy1 O7 140.0(5) . .
O2 Dy1 O7 141.8(5) . .
O13 Dy1 O8 131.0(5) 2_666 .
O4 Dy1 O8 80.5(6) . .
O5 Dy1 O8 69.8(5) . .
O2 Dy1 O8 145.8(5) . .
O7 Dy1 O8 70.8(5) . .
O13 Dy1 O1 73.9(4) 2_666 .
O4 Dy1 O1 64.2(4) . .
O5 Dy1 O1 127.6(4) . .
O2 Dy1 O1 71.8(4) . .
O7 Dy1 O1 73.8(5) . .
O8 Dy1 O1 127.6(5) . .
O13 Dy1 O6 76.2(4) 2_666 .
O4 Dy1 O6 135.0(4) . .
O5 Dy1 O6 63.3(4) . .
O2 Dy1 O6 71.7(4) . .
O7 Dy1 O6 128.3(5) . .
O8 Dy1 O6 95.8(5) . .
O1 Dy1 O6 136.6(4) . .
O13 Dy1 O17 70.7(5) 2_666 .
O4 Dy1 O17 147.7(5) . .
O5 Dy1 O17 93.3(5) . .
O2 Dy1 O17 119.6(5) . .
O7 Dy1 O17 77.9(5) . .
O8 Dy1 O17 67.3(6) . .
O1 Dy1 O17 138.6(4) . .
O6 Dy1 O17 51.6(5) . .
O13 Dy1 Cu3 106.9(3) 2_666 .
O4 Dy1 Cu3 31.1(3) . .
O5 Dy1 Cu3 99.3(3) . .
O2 Dy1 Cu3 75.9(3) . .
O7 Dy1 Cu3 84.3(4) . .
O8 Dy1 Cu3 105.5(5) . .
O1 Dy1 Cu3 33.2(3) . .
O6 Dy1 Cu3 146.0(3) . .
O17 Dy1 Cu3 162.2(4) . .
O14 Cu1 O3 91.4(6) . .
O14 Cu1 O6 177.1(6) . .
O3 Cu1 O6 87.8(6) . .
O14 Cu1 N3 97.5(7) . .
O3 Cu1 N3 169.7(7) . .
O6 Cu1 N3 83.0(7) . .
O14 Cu1 O15 88.9(7) . .
O3 Cu1 O15 94.4(6) . .
O6 Cu1 O15 93.9(6) . .
N3 Cu1 O15 90.9(6) . .
O16 Cu2 O5 176.7(7) . .
O16 Cu2 N1 94.4(8) . .
O5 Cu2 N1 82.7(7) . .
O16 Cu2 O6 99.1(7) . .
O5 Cu2 O6 83.9(5) . .
N1 Cu2 O6 164.9(7) . .
O4 Cu3 O18 170.3(6) . .
O4 Cu3 O1 84.3(6) . .
O18 Cu3 O1 95.3(5) . .
O4 Cu3 N2 83.3(6) . .
O18 Cu3 N2 97.5(6) . .
O1 Cu3 N2 167.2(6) . .
O4 Cu3 Dy1 38.9(4) . .
O18 Cu3 Dy1 140.5(4) . .
O1 Cu3 Dy1 45.6(3) . .
N2 Cu3 Dy1 121.8(5) . .
O1 Cu4 O1 180.000(2) . 2_666
O1 Cu4 O12 94.2(5) . 2_666
O1 Cu4 O12 85.8(5) 2_666 2_666
O1 Cu4 O12 85.8(5) . .
O1 Cu4 O12 94.2(5) 2_666 .
O12 Cu4 O12 180.0(7) 2_666 .
Cu3 O1 Cu4 108.2(6) . .
Cu3 O1 Dy1 101.2(5) . .
Cu4 O1 Dy1 106.1(5) . .
C19 O2 Dy1 128.8(13) . .
C19 O3 Cu1 117.3(13) . .
C7 O4 Cu3 118.0(12) . .
C7 O4 Dy1 130.8(11) . .
Cu3 O4 Dy1 110.1(6) . .
C6 O5 Cu2 116.2(10) . .
C6 O5 Dy1 130.7(11) . .
Cu2 O5 Dy1 112.2(6) . .
C18 O6 Cu1 113.1(13) . .
C18 O6 Cu2 118.7(12) . .
Cu1 O6 Cu2 105.7(7) . .
C18 O6 Dy1 102.7(13) . .
Cu1 O6 Dy1 115.9(5) . .
Cu2 O6 Dy1 100.4(6) . .
C25 O12 Cu4 123.7(12) . .
C25 O13 Dy1 143.8(12) . 2_666
C23 O14 Cu1 118.4(14) 2_666 .
C21 O15 Cu1 127.7(16) . .
C21 O16 Cu2 131.8(18) . .
C18 O17 Dy1 98.0(11) . .
C23 O18 Cu3 130.4(14) . .
C6 O19 C7 110.5(15) . .
C1 N1 C5 121(2) . .
C1 N1 Cu2 126.6(18) . .
C5 N1 Cu2 112.5(16) . .
O2W N1W O1W 119(3) . .
O2W N1W O3W 120(3) . .
O1W N1W O3W 120(3) . .
C8 N2 C12 111.1(18) . .
C8 N2 Cu3 115.8(13) . .
C12 N2 Cu3 133.1(14) . .
C17 N3 C13 119(2) . .
C17 N3 Cu1 113.4(18) . .
C13 N3 Cu1 127.5(19) . .
O10 N4 O9 124(4) . .
O10 N4 O11 123(4) . .
O9 N4 O11 111(4) . .
C2 C1 N1 119(3) . .
C2 C1 H1A 120.4 . .
N1 C1 H1A 120.4 . .
C1 C2 C3 125(3) . .
C1 C2 H2A 117.3 . .
C3 C2 H2A 117.3 . .
C4 C3 C2 113(3) . .
C4 C3 H3A 123.5 . .
C2 C3 H3A 123.5 . .
C3 C4 C5 124(3) . .
C3 C4 H4A 117.9 . .
C5 C4 H4A 117.9 . .
N1 C5 C4 117(2) . .
N1 C5 C6 116(2) . .
C4 C5 C6 127(2) . .
O5 C6 O19 113.0(14) . .
O5 C6 C5 109.4(16) . .
O19 C6 C5 109.1(18) . .
O5 C6 H6A 108.4 . .
O19 C6 H6A 108.4 . .
C5 C6 H6A 108.4 . .
O4 C7 O19 115.0(16) . .
O4 C7 C8 110.3(15) . .
O19 C7 C8 106.0(16) . .
O4 C7 H7A 108.5 . .
O19 C7 H7A 108.5 . .
C8 C7 H7A 108.5 . .
N2 C8 C9 125(2) . .
N2 C8 C7 112.5(17) . .
C9 C8 C7 122.0(18) . .
C10 C9 C8 117(2) . .
C10 C9 H9A 121.3 . .
C8 C9 H9A 121.3 . .
C9 C10 C11 122(2) . .
C9 C10 H10A 119.2 . .
C11 C10 H10A 119.2 . .
C12 C11 C10 116(2) . .
C12 C11 H11A 122.0 . .
C10 C11 H11A 122.0 . .
C11 C12 N2 128(2) . .
C11 C12 H12A 115.8 . .
N2 C12 H12A 115.8 . .
N3 C13 C14 125(2) . .
N3 C13 H13A 117.5 . .
C14 C13 H13A 117.5 . .
C15 C14 C13 116(2) . .
C15 C14 H14A 121.8 . .
C13 C14 H14A 121.8 . .
C14 C15 C16 121(2) . .
C14 C15 H15A 119.4 . .
C16 C15 H15A 119.4 . .
C15 C16 C17 116(3) . .
C15 C16 H16A 122.0 . .
C17 C16 H16A 122.0 . .
N3 C17 C16 122(3) . .
N3 C17 C18 117(2) . .
C16 C17 C18 120(2) . .
O6 C18 O17 106.6(18) . .
O6 C18 C17 110(2) . .
O17 C18 C17 107.9(19) . .
O6 C18 H18A 110.7 . .
O17 C18 H18A 110.7 . .
C17 C18 H18A 110.7 . .
O2 C19 O3 121.9(19) . .
O2 C19 C20 119.5(19) . .
O3 C19 C20 118.4(19) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O16 C21 O15 125(2) . .
O16 C21 C22 120(3) . .
O15 C21 C22 115(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O18 C23 O14 121(2) . 2_666
O18 C23 C24 120.3(18) . .
O14 C23 C24 119(2) 2_666 .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O13 C25 O12 126.7(19) . .
O13 C25 C26 118.0(18) . .
O12 C25 C26 115.1(18) . .
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 O13 2.320(14) 2_666
Dy1 O4 2.325(15) .
Dy1 O5 2.359(12) .
Dy1 O2 2.379(15) .
Dy1 O7 2.414(16) .
Dy1 O8 2.496(14) .
Dy1 O1 2.534(11) .
Dy1 O6 2.609(13) .
Dy1 O17 2.667(13) .
Dy1 Cu3 3.479(2) .
Cu1 O14 1.958(17) .
Cu1 O3 1.964(13) .
Cu1 O6 1.993(15) .
Cu1 N3 2.00(2) .
Cu1 O15 2.233(17) .
Cu2 O16 1.893(18) .
Cu2 O5 1.919(13) .
Cu2 N1 1.990(19) .
Cu2 O6 1.995(14) .
Cu3 O4 1.911(12) .
Cu3 O18 1.937(12) .
Cu3 O1 1.941(12) .
Cu3 N2 1.944(17) .
Cu4 O1 1.976(11) .
Cu4 O1 1.976(11) 2_666
Cu4 O12 1.986(12) 2_666
Cu4 O12 1.986(12) .
O2 C19 1.26(2) .
O3 C19 1.28(2) .
O4 C7 1.37(2) .
O5 C6 1.40(2) .
O6 C18 1.40(2) .
O9 N4 1.22(3) .
O10 N4 1.13(4) .
O11 N4 1.23(4) .
O12 C25 1.32(2) .
O13 C25 1.25(2) .
O13 Dy1 2.320(14) 2_666
O14 C23 1.28(2) 2_666
O15 C21 1.29(3) .
O16 C21 1.24(3) .
O17 C18 1.47(3) .
O18 C23 1.27(2) .
O19 C6 1.41(2) .
O19 C7 1.43(2) .
N1 C1 1.36(3) .
N1 C5 1.36(3) .
N1W O2W 1.20(3) .
N1W O1W 1.26(3) .
N1W O3W 1.26(3) .
N2 C8 1.37(3) .
N2 C12 1.37(3) .
N3 C17 1.30(3) .
N3 C13 1.32(3) .
C1 C2 1.35(4) .
C1 H1A 0.9300 .
C2 C3 1.40(4) .
C2 H2A 0.9300 .
C3 C4 1.36(3) .
C3 H3A 0.9300 .
C4 C5 1.44(3) .
C4 H4A 0.9300 .
C5 C6 1.49(3) .
C6 H6A 0.9800 .
C7 C8 1.56(3) .
C7 H7A 0.9800 .
C8 C9 1.39(3) .
C9 C10 1.34(3) .
C9 H9A 0.9300 .
C10 C11 1.37(3) .
C10 H10A 0.9300 .
C11 C12 1.34(3) .
C11 H11A 0.9300 .
C12 H12A 0.9300 .
C13 C14 1.39(3) .
C13 H13A 0.9300 .
C14 C15 1.36(4) .
C14 H14A 0.9300 .
C15 C16 1.40(3) .
C15 H15A 0.9300 .
C16 C17 1.45(3) .
C16 H16A 0.9300 .
C17 C18 1.54(3) .
C18 H18A 0.9800 .
C19 C20 1.50(3) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.51(3) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 O14 1.28(2) 2_666
C23 C24 1.49(3) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.52(3) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.190 0.963 0.803 73 27 ' '
2 0.810 0.037 0.197 73 27 ' '
