#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:42:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179932 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/27/7022776.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_7022776
loop_
_publ_author_name
'Feng, Xun'
'Feng, Yu-Quan'
'Liu, Lang'
'Wang, Li-Ya'
'Song, Hong-Liang'
'Ng, Seik-Weng'
_publ_section_title
;
 A series of Zn-4f heterometallic coordination polymers and a zinc complex
 containing a flexible mixed donor dicarboxylate ligand.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7741
_journal_page_last               7754
_journal_paper_doi               10.1039/c3dt33002h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C26 H16 Cl Dy N2 O11 Zn'
_chemical_formula_weight         795.73
_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                107.6960(10)
_cell_angle_beta                 104.5210(10)
_cell_angle_gamma                92.6240(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5005(9)
_cell_length_b                   12.8099(13)
_cell_length_c                   13.4136(14)
_cell_measurement_reflns_used    4326
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.86
_cell_measurement_theta_min      2.59
_cell_volume                     1335.2(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10254
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.841
_exptl_absorpt_correction_T_max  0.6154
_exptl_absorpt_correction_T_min  0.4468
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             774
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.580
_refine_diff_density_min         -1.445
_refine_diff_density_rms         0.171
_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     379
_refine_ls_number_reflns         4941
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0450
_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)+(0.0759P)²+4.8088P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                4388
_reflns_number_total             4941
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt33002h.txt
_cod_data_source_block           Dy
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022776
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 0.24622(3) 0.48949(2) 0.48931(2) 0.01999(13) Uani 1 1 d .
Zn1 Zn 0.32333(8) 0.21982(6) 0.65972(6) 0.01811(18) Uani 1 1 d .
Cl1 Cl 0.2289(2) 0.12805(15) 0.75345(14) 0.0312(4) Uani 1 1 d .
O1 O 0.7404(6) 0.4531(4) 0.0822(4) 0.0305(11) Uani 1 1 d .
O2 O 0.7783(5) 0.5427(3) 0.3416(3) 0.0163(9) Uani 1 1 d .
O3 O 0.5940(5) 0.6240(4) 0.2503(4) 0.0221(10) Uani 1 1 d .
O4 O 0.4688(5) 0.4814(3) 0.3894(3) 0.0150(8) Uani 1 1 d .
O5 O 0.2320(5) 0.3810(4) 0.2912(3) 0.0210(9) Uani 1 1 d .
O6 O 0.2659(6) 0.0605(4) 0.2880(4) 0.0290(11) Uani 1 1 d .
O7 O 0.1529(5) 0.1835(4) 0.5191(3) 0.0216(10) Uani 1 1 d .
O8 O 0.2998(5) 0.2985(3) 0.4720(3) 0.0183(9) Uani 1 1 d .
O9 O -0.0259(5) 0.3889(3) 0.4441(3) 0.0132(8) Uani 1 1 d .
O10 O -0.2832(5) 0.3123(4) 0.3833(4) 0.0203(9) Uani 1 1 d .
O11 O 0.1179(6) 0.5885(4) 0.3639(4) 0.0250(10) Uani 1 1 d .
H1W H 0.0164 0.5903 0.3585 0.038 Uiso 1 1 d R
H2W H 0.1521 0.5924 0.3106 0.038 Uiso 1 1 d R
N1 N 0.8611(8) 0.3925(5) -0.1684(5) 0.0315(14) Uani 1 1 d .
N2 N 0.4738(6) -0.1495(4) 0.3687(5) 0.0226(12) Uani 1 1 d .
C1 C 0.6173(8) 0.3863(6) 0.0925(5) 0.0221(14) Uani 1 1 d .
C2 C 0.5695(7) 0.4305(5) 0.1883(4) 0.0143(12) Uani 1 1 d .
C3 C 0.4420(7) 0.3683(5) 0.2034(5) 0.0141(12) Uani 1 1 d .
C4 C 0.3699(8) 0.2662(5) 0.1277(5) 0.0200(13) Uani 1 1 d .
H4 H 0.2872 0.2254 0.1395 0.024 Uiso 1 1 calc R
C5 C 0.4211(8) 0.2249(6) 0.0345(5) 0.0264(15) Uani 1 1 d .
H5 H 0.3733 0.1563 -0.0160 0.032 Uiso 1 1 calc R
C6 C 0.5442(9) 0.2864(6) 0.0165(5) 0.0266(15) Uani 1 1 d .
H6 H 0.5766 0.2598 -0.0469 0.032 Uiso 1 1 calc R
C7 C 0.6531(7) 0.5409(5) 0.2662(5) 0.0159(12) Uani 1 1 d .
C8 C 0.3762(7) 0.4113(5) 0.2995(5) 0.0137(12) Uani 1 1 d .
C9 C 0.7883(8) 0.4334(6) -0.0890(6) 0.0256(14) Uani 1 1 d .
H9 H 0.7142 0.4834 -0.0971 0.031 Uiso 1 1 calc R
C10 C 0.8192(8) 0.4041(6) 0.0026(5) 0.0237(14) Uani 1 1 d .
C11 C 0.9290(10) 0.3332(7) 0.0190(6) 0.0355(18) Uani 1 1 d .
H11 H 0.9532 0.3151 0.0827 0.043 Uiso 1 1 calc R
C12 C 1.0038(10) 0.2887(7) -0.0618(7) 0.0393(19) Uani 1 1 d .
H12 H 1.0761 0.2372 -0.0552 0.047 Uiso 1 1 calc R
C13 C 0.9686(9) 0.3226(7) -0.1526(6) 0.0346(17) Uani 1 1 d .
H13 H 1.0228 0.2951 -0.2055 0.042 Uiso 1 1 calc R
C14 C 0.1095(8) 0.0922(5) 0.2614(5) 0.0200(13) Uani 1 1 d .
C15 C 0.0661(7) 0.1784(5) 0.3377(5) 0.0160(12) Uani 1 1 d .
C16 C -0.0869(7) 0.2122(5) 0.3075(5) 0.0148(12) Uani 1 1 d .
C17 C -0.1935(8) 0.1610(5) 0.2040(5) 0.0244(14) Uani 1 1 d .
H17 H -0.2966 0.1829 0.1855 0.029 Uiso 1 1 calc R
C18 C -0.1457(9) 0.0770(6) 0.1283(6) 0.0314(16) Uani 1 1 d .
H18 H -0.2154 0.0439 0.0585 0.038 Uiso 1 1 calc R
C19 C 0.0045(9) 0.0435(5) 0.1572(6) 0.0280(15) Uani 1 1 d .
H19 H 0.0369 -0.0124 0.1066 0.034 Uiso 1 1 calc R
C20 C 0.1827(7) 0.2253(5) 0.4516(5) 0.0165(13) Uani 1 1 d .
C21 C -0.1375(7) 0.3092(5) 0.3831(5) 0.0137(12) Uani 1 1 d .
C22 C 0.2892(8) -0.0216(5) 0.3335(5) 0.0216(13) Uani 1 1 d .
C23 C 0.4300(8) -0.0693(5) 0.3257(6) 0.0231(14) Uani 1 1 d .
H23 H 0.4969 -0.0452 0.2897 0.028 Uiso 1 1 calc R
C24 C 0.3759(9) -0.1822(6) 0.4223(6) 0.0307(16) Uani 1 1 d .
H24 H 0.4055 -0.2363 0.4540 0.037 Uiso 1 1 calc R
C25 C 0.2352(9) -0.1380(6) 0.4310(7) 0.0339(17) Uani 1 1 d .
H25 H 0.1703 -0.1627 0.4679 0.041 Uiso 1 1 calc R
C26 C 0.1878(8) -0.0573(6) 0.3861(6) 0.0267(15) Uani 1 1 d .
H26 H 0.0910 -0.0277 0.3909 0.032 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'
Zn Zn 0.2839 1.4301 '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'
Cl Cl 0.1484 0.1585 '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
O9 Dy1 O8 76.47(13) . .
O9 Dy1 O11 86.10(14) . .
O8 Dy1 O11 136.09(15) . .
O9 Dy1 O2 73.86(13) . 2_666
O8 Dy1 O2 73.27(14) . 2_666
O11 Dy1 O2 139.51(14) . 2_666
O9 Dy1 O4 143.28(13) . 2_666
O8 Dy1 O4 78.10(14) . 2_666
O11 Dy1 O4 130.31(15) . 2_666
O2 Dy1 O4 73.71(13) 2_666 2_666
O9 Dy1 O10 114.51(13) . 2_566
O8 Dy1 O10 146.23(14) . 2_566
O11 Dy1 O10 77.64(15) . 2_566
O2 Dy1 O10 79.34(14) 2_666 2_566
O4 Dy1 O10 75.53(13) 2_666 2_566
O9 Dy1 O4 134.27(13) . .
O8 Dy1 O4 81.80(13) . .
O11 Dy1 O4 82.42(13) . .
O2 Dy1 O4 136.21(13) 2_666 .
O4 Dy1 O4 66.18(15) 2_666 .
O10 Dy1 O4 105.94(13) 2_566 .
O9 Dy1 O5 83.84(13) . .
O8 Dy1 O5 69.61(14) . .
O11 Dy1 O5 68.66(15) . .
O2 Dy1 O5 140.17(14) 2_666 .
O4 Dy1 O5 111.31(13) 2_666 .
O10 Dy1 O5 140.46(14) 2_566 .
O4 Dy1 O5 50.76(13) . .
O9 Dy1 O9 65.14(15) . 2_566
O8 Dy1 O9 134.38(13) . 2_566
O11 Dy1 O9 66.51(13) . 2_566
O2 Dy1 O9 73.15(13) 2_666 2_566
O4 Dy1 O9 119.93(12) 2_666 2_566
O10 Dy1 O9 50.07(12) 2_566 2_566
O4 Dy1 O9 143.20(13) . 2_566
O5 Dy1 O9 126.20(13) . 2_566
O9 Dy1 C8 108.32(15) . .
O8 Dy1 C8 73.31(15) . .
O11 Dy1 C8 74.62(15) . .
O2 Dy1 C8 144.83(14) 2_666 .
O4 Dy1 C8 88.98(14) 2_666 .
O10 Dy1 C8 126.39(15) 2_566 .
O4 Dy1 C8 26.07(15) . .
O5 Dy1 C8 24.72(15) . .
O9 Dy1 C8 140.80(13) 2_566 .
O9 Dy1 C21 90.06(14) . 2_566
O8 Dy1 C21 146.58(15) . 2_566
O11 Dy1 C21 71.54(15) . 2_566
O2 Dy1 C21 73.64(14) 2_666 2_566
O4 Dy1 C21 96.95(14) 2_666 2_566
O10 Dy1 C21 24.62(14) 2_566 2_566
O4 Dy1 C21 126.83(15) . 2_566
O5 Dy1 C21 140.04(15) . 2_566
O9 Dy1 C21 25.51(14) 2_566 2_566
C8 Dy1 C21 140.04(15) . 2_566
O7 Zn1 O3 120.51(18) . 2_666
O7 Zn1 N2 108.4(2) . 2_656
O3 Zn1 N2 105.3(2) 2_666 2_656
O7 Zn1 Cl1 105.56(14) . .
O3 Zn1 Cl1 111.30(14) 2_666 .
N2 Zn1 Cl1 104.75(16) 2_656 .
C1 O1 C10 116.6(5) . .
C7 O2 Dy1 121.5(3) . 2_666
C7 O3 Zn1 126.0(4) . 2_666
C8 O4 Dy1 139.4(4) . 2_666
C8 O4 Dy1 93.4(3) . .
Dy1 O4 Dy1 113.82(15) 2_666 .
C8 O5 Dy1 95.0(3) . .
C22 O6 C14 119.6(5) . .
C20 O7 Zn1 116.4(4) . .
C20 O8 Dy1 119.5(3) . .
C21 O9 Dy1 151.0(4) . .
C21 O9 Dy1 91.2(3) . 2_566
Dy1 O9 Dy1 114.86(15) . 2_566
C21 O10 Dy1 96.7(3) . 2_566
Dy1 O11 H1W 112.3 . .
Dy1 O11 H2W 123.5 . .
H1W O11 H2W 118.0 . .
C13 N1 C9 116.9(6) . .
C23 N2 C24 117.9(5) . .
C23 N2 Zn1 117.4(4) . 2_656
C24 N2 Zn1 124.6(4) . 2_656
C6 C1 O1 124.1(6) . .
C6 C1 C2 121.9(6) . .
O1 C1 C2 114.0(6) . .
C1 C2 C3 117.3(6) . .
C1 C2 C7 118.7(5) . .
C3 C2 C7 124.0(5) . .
C4 C3 C2 121.0(5) . .
C4 C3 C8 117.7(5) . .
C2 C3 C8 121.3(5) . .
C3 C4 C5 120.0(6) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 C6 120.0(6) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C1 C6 C5 119.8(6) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
O3 C7 O2 125.5(6) . .
O3 C7 C2 116.9(5) . .
O2 C7 C2 117.6(5) . .
O5 C8 O4 120.7(5) . .
O5 C8 C3 119.1(5) . .
O4 C8 C3 120.1(5) . .
O5 C8 Dy1 60.3(3) . .
O4 C8 Dy1 60.5(3) . .
C3 C8 Dy1 178.4(4) . .
N1 C9 C10 122.4(6) . .
N1 C9 H9 118.8 . .
C10 C9 H9 118.8 . .
C9 C10 C11 120.8(6) . .
C9 C10 O1 118.3(6) . .
C11 C10 O1 120.8(6) . .
C10 C11 C12 118.1(7) . .
C10 C11 H11 120.9 . .
C12 C11 H11 120.9 . .
C11 C12 C13 118.3(7) . .
C11 C12 H12 120.8 . .
C13 C12 H12 120.8 . .
N1 C13 C12 123.4(7) . .
N1 C13 H13 118.3 . .
C12 C13 H13 118.3 . .
C19 C14 C15 120.8(6) . .
C19 C14 O6 119.9(6) . .
C15 C14 O6 119.1(6) . .
C16 C15 C14 118.1(6) . .
C16 C15 C20 123.3(5) . .
C14 C15 C20 118.5(5) . .
C17 C16 C15 120.8(5) . .
C17 C16 C21 118.2(5) . .
C15 C16 C21 120.9(5) . .
C18 C17 C16 120.0(6) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C19 C18 C17 119.5(6) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C18 C19 C14 120.7(6) . .
C18 C19 H19 119.7 . .
C14 C19 H19 119.7 . .
O7 C20 O8 124.8(6) . .
O7 C20 C15 114.7(5) . .
O8 C20 C15 120.5(5) . .
O10 C21 O9 121.8(5) . .
O10 C21 C16 120.9(5) . .
O9 C21 C16 117.3(5) . .
O10 C21 Dy1 58.7(3) . 2_566
O9 C21 Dy1 63.3(3) . 2_566
C16 C21 Dy1 173.3(4) . 2_566
O6 C22 C23 114.5(6) . .
O6 C22 C26 126.0(6) . .
C23 C22 C26 119.5(6) . .
N2 C23 C22 122.2(6) . .
N2 C23 H23 118.9 . .
C22 C23 H23 118.9 . .
N2 C24 C25 121.7(6) . .
N2 C24 H24 119.1 . .
C25 C24 H24 119.1 . .
C26 C25 C24 120.9(7) . .
C26 C25 H25 119.5 . .
C24 C25 H25 119.5 . .
C25 C26 C22 117.6(6) . .
C25 C26 H26 121.2 . .
C22 C26 H26 121.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O9 2.435(4) .
Dy1 O8 2.461(4) .
Dy1 O11 2.476(4) .
Dy1 O2 2.481(4) 2_666
Dy1 O4 2.495(4) 2_666
Dy1 O10 2.547(4) 2_566
Dy1 O4 2.568(4) .
Dy1 O5 2.567(4) .
Dy1 O9 2.644(4) 2_566
Dy1 C8 2.945(6) .
Dy1 C21 2.960(6) 2_566
Zn1 O7 1.977(4) .
Zn1 O3 1.983(4) 2_666
Zn1 N2 2.048(5) 2_656
Zn1 Cl1 2.2192(18) .
O1 C1 1.382(8) .
O1 C10 1.405(8) .
O2 C7 1.265(7) .
O2 Dy1 2.481(4) 2_666
O3 C7 1.251(7) .
O3 Zn1 1.983(4) 2_666
O4 C8 1.296(7) .
O4 Dy1 2.495(4) 2_666
O5 C8 1.236(7) .
O6 C22 1.365(8) .
O6 C14 1.400(7) .
O7 C20 1.252(8) .
O8 C20 1.251(8) .
O9 C21 1.275(7) .
O9 Dy1 2.644(4) 2_566
O10 C21 1.241(7) .
O10 Dy1 2.547(4) 2_566
O11 H1W 0.8500 .
O11 H2W 0.8501 .
N1 C13 1.332(10) .
N1 C9 1.346(8) .
N2 C23 1.347(8) .
N2 C24 1.356(9) .
N2 Zn1 2.048(5) 2_656
C1 C6 1.371(10) .
C1 C2 1.406(8) .
C2 C3 1.407(8) .
C2 C7 1.495(8) .
C3 C4 1.387(9) .
C3 C8 1.495(8) .
C4 C5 1.388(9) .
C4 H4 0.9300 .
C5 C6 1.392(10) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C9 C10 1.359(9) .
C9 H9 0.9300 .
C10 C11 1.356(10) .
C11 C12 1.381(11) .
C11 H11 0.9300 .
C12 C13 1.383(11) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C19 1.390(10) .
C14 C15 1.393(8) .
C15 C16 1.392(8) .
C15 C20 1.519(8) .
C16 C17 1.393(9) .
C16 C21 1.503(8) .
C17 C18 1.392(10) .
C17 H17 0.9300 .
C18 C19 1.366(10) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C21 Dy1 2.960(6) 2_566
C22 C23 1.381(9) .
C22 C26 1.384(10) .
C23 H23 0.9300 .
C24 C25 1.363(10) .
C24 H24 0.9300 .
C25 C26 1.374(10) .
C25 H25 0.9300 .
C26 H26 0.9300 .
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
O11 H1W O2 0.85 2.02 2.841(6) 161.4 1_455
O11 H2W N1 0.85 1.95 2.755(7) 157.1 2_665
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
O9 Dy1 O4 C8 6.6(4) . .
O8 Dy1 O4 C8 68.6(3) . .
O11 Dy1 O4 C8 -70.3(3) . .
O2 Dy1 O4 C8 123.8(3) 2_666 .
O4 Dy1 O4 C8 149.1(4) 2_666 .
O10 Dy1 O4 C8 -145.1(3) 2_566 .
O5 Dy1 O4 C8 -1.8(3) . .
O9 Dy1 O4 C8 -102.2(3) 2_566 .
C21 Dy1 O4 C8 -130.4(3) 2_566 .
O9 Dy1 O4 Dy1 -142.49(16) . 2_666
O8 Dy1 O4 Dy1 -80.55(17) . 2_666
O11 Dy1 O4 Dy1 140.56(19) . 2_666
O2 Dy1 O4 Dy1 -25.4(3) 2_666 2_666
O4 Dy1 O4 Dy1 0.0 2_666 2_666
O10 Dy1 O4 Dy1 65.78(19) 2_566 2_666
O5 Dy1 O4 Dy1 -150.9(3) . 2_666
O9 Dy1 O4 Dy1 108.7(2) 2_566 2_666
C8 Dy1 O4 Dy1 -149.1(4) . 2_666
C21 Dy1 O4 Dy1 80.5(2) 2_566 2_666
O9 Dy1 O5 C8 -172.1(4) . .
O8 Dy1 O5 C8 -94.3(4) . .
O11 Dy1 O5 C8 99.7(4) . .
O2 Dy1 O5 C8 -116.6(4) 2_666 .
O4 Dy1 O5 C8 -26.7(4) 2_666 .
O10 Dy1 O5 C8 66.2(4) 2_566 .
O4 Dy1 O5 C8 1.8(3) . .
O9 Dy1 O5 C8 135.0(3) 2_566 .
C21 Dy1 O5 C8 105.2(4) 2_566 .
O3 Zn1 O7 C20 54.4(5) 2_666 .
N2 Zn1 O7 C20 -66.8(5) 2_656 .
Cl1 Zn1 O7 C20 -178.6(4) . .
O9 Dy1 O8 C20 -1.9(4) . .
O11 Dy1 O8 C20 -71.4(5) . .
O2 Dy1 O8 C20 75.0(4) 2_666 .
O4 Dy1 O8 C20 151.4(4) 2_666 .
O10 Dy1 O8 C20 112.1(4) 2_566 .
O4 Dy1 O8 C20 -141.4(4) . .
O5 Dy1 O8 C20 -90.3(4) . .
O9 Dy1 O8 C20 30.9(5) 2_566 .
C8 Dy1 O8 C20 -116.1(4) . .
C21 Dy1 O8 C20 66.8(5) 2_566 .
O8 Dy1 O9 C21 -53.2(7) . .
O11 Dy1 O9 C21 86.2(7) . .
O2 Dy1 O9 C21 -129.4(8) 2_666 .
O4 Dy1 O9 C21 -100.6(7) 2_666 .
O10 Dy1 O9 C21 160.7(7) 2_566 .
O4 Dy1 O9 C21 10.7(8) . .
O5 Dy1 O9 C21 17.2(7) . .
O9 Dy1 O9 C21 152.1(8) 2_566 .
C8 Dy1 O9 C21 13.8(8) . .
C21 Dy1 O9 C21 157.7(7) 2_566 .
O8 Dy1 O9 Dy1 154.74(19) . 2_566
O11 Dy1 O9 Dy1 -65.87(17) . 2_566
O2 Dy1 O9 Dy1 78.55(17) 2_666 2_566
O4 Dy1 O9 Dy1 107.4(2) 2_666 2_566
O10 Dy1 O9 Dy1 8.6(2) 2_566 2_566
O4 Dy1 O9 Dy1 -141.32(15) . 2_566
O5 Dy1 O9 Dy1 -134.80(18) . 2_566
O9 Dy1 O9 Dy1 0.0 2_566 2_566
C8 Dy1 O9 Dy1 -138.26(16) . 2_566
C21 Dy1 O9 Dy1 5.62(17) 2_566 2_566
C10 O1 C1 C6 -15.2(10) . .
C10 O1 C1 C2 165.9(6) . .
C6 C1 C2 C3 -0.3(9) . .
O1 C1 C2 C3 178.5(5) . .
C6 C1 C2 C7 -178.8(6) . .
O1 C1 C2 C7 0.0(8) . .
C1 C2 C3 C4 1.7(9) . .
C7 C2 C3 C4 -179.9(6) . .
C1 C2 C3 C8 -176.6(5) . .
C7 C2 C3 C8 1.9(9) . .
C2 C3 C4 C5 -1.3(9) . .
C8 C3 C4 C5 177.0(6) . .
C3 C4 C5 C6 -0.4(10) . .
O1 C1 C6 C5 179.9(6) . .
C2 C1 C6 C5 -1.4(11) . .
C4 C5 C6 C1 1.7(11) . .
Zn1 O3 C7 O2 -1.5(9) 2_666 .
Zn1 O3 C7 C2 179.4(4) 2_666 .
Dy1 O2 C7 O3 99.6(6) 2_666 .
Dy1 O2 C7 C2 -81.3(6) 2_666 .
C1 C2 C7 O3 87.7(7) . .
C3 C2 C7 O3 -90.7(7) . .
C1 C2 C7 O2 -91.5(7) . .
C3 C2 C7 O2 90.1(7) . .
Dy1 O5 C8 O4 -3.3(6) . .
Dy1 O5 C8 C3 178.2(4) . .
Dy1 O4 C8 O5 137.1(5) 2_666 .
Dy1 O4 C8 O5 3.3(6) . .
Dy1 O4 C8 C3 -44.5(8) 2_666 .
Dy1 O4 C8 C3 -178.3(5) . .
Dy1 O4 C8 Dy1 133.8(5) 2_666 .
C4 C3 C8 O5 -26.7(8) . .
C2 C3 C8 O5 151.5(6) . .
C4 C3 C8 O4 154.8(6) . .
C2 C3 C8 O4 -26.9(8) . .
C4 C3 C8 Dy1 42(14) . .
C2 C3 C8 Dy1 -140(14) . .
O9 Dy1 C8 O5 8.3(4) . .
O8 Dy1 C8 O5 77.4(4) . .
O11 Dy1 C8 O5 -72.2(4) . .
O2 Dy1 C8 O5 96.1(4) 2_666 .
O4 Dy1 C8 O5 155.2(4) 2_666 .
O10 Dy1 C8 O5 -133.6(3) 2_566 .
O4 Dy1 C8 O5 -176.7(6) . .
O9 Dy1 C8 O5 -64.6(4) 2_566 .
C21 Dy1 C8 O5 -105.1(4) 2_566 .
O9 Dy1 C8 O4 -175.0(3) . .
O8 Dy1 C8 O4 -105.9(3) . .
O11 Dy1 C8 O4 104.5(3) . .
O2 Dy1 C8 O4 -87.2(4) 2_666 .
O4 Dy1 C8 O4 -28.0(4) 2_666 .
O10 Dy1 C8 O4 43.1(4) 2_566 .
O5 Dy1 C8 O4 176.7(6) . .
O9 Dy1 C8 O4 112.1(3) 2_566 .
C21 Dy1 C8 O4 71.6(4) 2_566 .
O9 Dy1 C8 C3 -61(14) . .
O8 Dy1 C8 C3 8(14) . .
O11 Dy1 C8 C3 -142(14) . .
O2 Dy1 C8 C3 27(14) 2_666 .
O4 Dy1 C8 C3 86(14) 2_666 .
O10 Dy1 C8 C3 157(14) 2_566 .
O4 Dy1 C8 C3 114(14) . .
O5 Dy1 C8 C3 -70(14) . .
O9 Dy1 C8 C3 -134(14) 2_566 .
C21 Dy1 C8 C3 -175(14) 2_566 .
C13 N1 C9 C10 -1.2(11) . .
N1 C9 C10 C11 1.4(12) . .
N1 C9 C10 O1 178.5(6) . .
C1 O1 C10 C9 108.0(7) . .
C1 O1 C10 C11 -74.9(9) . .
C9 C10 C11 C12 -2.3(12) . .
O1 C10 C11 C12 -179.3(7) . .
C10 C11 C12 C13 2.9(12) . .
C9 N1 C13 C12 1.9(12) . .
C11 C12 C13 N1 -2.9(13) . .
C22 O6 C14 C19 -92.7(8) . .
C22 O6 C14 C15 92.0(7) . .
C19 C14 C15 C16 1.6(9) . .
O6 C14 C15 C16 176.8(5) . .
C19 C14 C15 C20 177.7(6) . .
O6 C14 C15 C20 -7.2(8) . .
C14 C15 C16 C17 0.3(9) . .
C20 C15 C16 C17 -175.6(6) . .
C14 C15 C16 C21 -176.2(5) . .
C20 C15 C16 C21 8.0(9) . .
C15 C16 C17 C18 -1.9(10) . .
C21 C16 C17 C18 174.6(6) . .
C16 C17 C18 C19 1.6(11) . .
C17 C18 C19 C14 0.2(11) . .
C15 C14 C19 C18 -1.9(10) . .
O6 C14 C19 C18 -177.0(6) . .
Zn1 O7 C20 O8 -10.0(8) . .
Zn1 O7 C20 C15 168.6(4) . .
Dy1 O8 C20 O7 -106.4(6) . .
Dy1 O8 C20 C15 75.2(6) . .
C16 C15 C20 O7 81.9(7) . .
C14 C15 C20 O7 -94.0(7) . .
C16 C15 C20 O8 -99.5(7) . .
C14 C15 C20 O8 84.6(7) . .
Dy1 O10 C21 O9 5.6(6) 2_566 .
Dy1 O10 C21 C16 -172.2(4) 2_566 .
Dy1 O9 C21 O10 -160.2(5) . .
Dy1 O9 C21 O10 -5.3(6) 2_566 .
Dy1 O9 C21 C16 17.7(10) . .
Dy1 O9 C21 C16 172.5(4) 2_566 .
Dy1 O9 C21 Dy1 -154.8(7) . 2_566
C17 C16 C21 O10 35.6(8) . .
C15 C16 C21 O10 -147.9(6) . .
C17 C16 C21 O9 -142.3(6) . .
C15 C16 C21 O9 34.3(8) . .
C17 C16 C21 Dy1 -49(4) . 2_566
C15 C16 C21 Dy1 127(3) . 2_566
C14 O6 C22 C23 161.1(6) . .
C14 O6 C22 C26 -20.2(10) . .
C24 N2 C23 C22 -1.0(10) . .
Zn1 N2 C23 C22 175.5(5) 2_656 .
O6 C22 C23 N2 178.3(6) . .
C26 C22 C23 N2 -0.6(10) . .
C23 N2 C24 C25 1.5(11) . .
Zn1 N2 C24 C25 -174.6(6) 2_656 .
N2 C24 C25 C26 -0.5(12) . .
C24 C25 C26 C22 -1.0(12) . .
O6 C22 C26 C25 -177.2(7) . .
C23 C22 C26 C25 1.6(10) . .
