#------------------------------------------------------------------------------
#$Date: 2017-09-19 07:09:55 +0300 (Tue, 19 Sep 2017) $
#$Revision: 201017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/42/7044269.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_7044269
loop_
_publ_author_name
'Feng, Xun'
'Guo, Nan'
'Chen, Haipeng'
'Wang, Helin'
'Chen, Xin'
'Yue, Lingyun'
'Ng, Seik Weng'
'Liu, Xinfang'
'Ma, Lufang'
'Wang, Liya'
_publ_section_title
;
 Series anionic host coordination polymers based on azoxybenzene
 carboxylate: structures, luminescence and magnetic properties
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02974H
_journal_year                    2017
_chemical_formula_moiety
'(C10 H9 N2), [Dy (H2 O)4 (C16 H6 N2 O9), (H2 O)'
_chemical_formula_sum            'C26 H25 Dy N4 O14'
_chemical_formula_weight         780.00
_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
_audit_update_record
;
2017-09-03 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_cell_angle_alpha                101.7907(10)
_cell_angle_beta                 110.9658(9)
_cell_angle_gamma                113.3613(8)
_cell_formula_units_Z            2
_cell_length_a                   10.8893(6)
_cell_length_b                   11.4543(7)
_cell_length_c                   14.1156(8)
_cell_measurement_reflns_used    5009
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3854
_cell_measurement_theta_min      2.3346
_cell_volume                     1380.72(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       'ω scan'
_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  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8234
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    2.788
_exptl_absorpt_correction_T_max  0.640
_exptl_absorpt_correction_T_min  0.535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.876
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             774
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.711
_refine_diff_density_min         -0.986
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     449
_refine_ls_number_reflns         6022
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0399
_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)+(0.0823P)²+0.5197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                5332
_reflns_number_total             6336
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c7dt02974h2.cif
_cod_data_source_block           dy
_cod_database_code               7044269
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.15012(3) 0.70101(2) 0.507174(19) 0.02310(10) Uani 1 1 d . . .
O1 O 0.1794(4) 0.6348(4) 0.3481(3) 0.0249(7) Uani 1 1 d . . .
O2 O -0.0017(6) 0.4413(5) 0.2010(4) 0.0501(13) Uani 1 1 d . . .
O3 O 0.0391(4) 0.4412(4) 0.4324(3) 0.0236(7) Uani 1 1 d . . .
O4 O 0.0373(5) 0.2579(4) 0.4563(4) 0.0327(9) Uani 1 1 d . . .
O5 O 0.4824(5) 0.8777(4) 0.3672(4) 0.0331(9) Uani 1 1 d . A .
O6 O 0.6793(5) 0.8479(5) 0.3968(4) 0.0371(10) Uani 1 1 d . A .
O7 O 0.7048(4) 1.0962(4) 0.3256(3) 0.0262(8) Uani 1 1 d . . .
O8 O 0.5503(6) 1.1119(5) 0.1829(4) 0.0480(12) Uani 1 1 d . . .
O9 O 0.4790(10) 0.4821(7) 0.1691(7) 0.052(2) Uani 0.690(13) 1 d PU A 1
O9' O 0.212(2) 0.512(2) 0.1450(17) 0.065(6) Uani 0.310(13) 1 d PU A 2
O1w O 0.1387(4) 0.8824(4) 0.4444(3) 0.0266(8) Uani 1 1 d D . .
H11 H 0.184(6) 0.963(3) 0.492(4) 0.040 Uiso 1 1 d D . .
H12 H 0.051(3) 0.861(5) 0.399(4) 0.040 Uiso 1 1 d D . .
O2w O 0.4117(4) 0.8467(4) 0.5382(3) 0.0254(7) Uani 1 1 d D . .
H21 H 0.421(8) 0.834(5) 0.481(3) 0.038 Uiso 1 1 d D . .
H22 H 0.449(7) 0.9313(18) 0.573(4) 0.038 Uiso 1 1 d D . .
O3w O 0.2987(4) 0.6490(4) 0.6458(3) 0.0298(8) Uani 1 1 d D . .
H31 H 0.342(7) 0.723(3) 0.702(3) 0.045 Uiso 1 1 d D . .
H32 H 0.248(7) 0.581(4) 0.657(5) 0.045 Uiso 1 1 d D . .
O4w O -0.1119(4) 0.5749(4) 0.3276(3) 0.0296(8) Uani 1 1 d D . .
H41 H -0.082(8) 0.560(7) 0.282(5) 0.044 Uiso 1 1 d D . .
H42 H -0.126(8) 0.642(5) 0.329(5) 0.044 Uiso 1 1 d D . .
O5w O -0.1583(5) 0.7832(5) 0.3101(4) 0.0368(10) Uani 1 1 d D . .
H51 H -0.186(9) 0.818(7) 0.350(5) 0.055 Uiso 1 1 d D . .
H52 H -0.159(9) 0.816(7) 0.262(5) 0.055 Uiso 1 1 d D . .
N1 N 0.3444(7) 0.5422(6) 0.2303(5) 0.0449(14) Uani 1 1 d . . .
N2 N 0.4305(7) 0.5595(5) 0.1936(5) 0.0411(13) Uani 1 1 d . A .
N3 N 0.1583(6) 0.7835(6) 0.2164(5) 0.0404(12) Uani 1 1 d D . .
H3 H 0.171(8) 0.755(7) 0.270(4) 0.049 Uiso 1 1 d D . .
N4 N 0.1624(6) 1.1141(5) -0.1491(4) 0.0366(11) Uani 1 1 d . . .
C1 C 0.1211(6) 0.5089(5) 0.2867(4) 0.0249(11) Uani 1 1 d . A .
C2 C 0.2169(6) 0.4439(5) 0.3234(4) 0.0231(10) Uani 1 1 d . . .
C3 C 0.1988(6) 0.3710(5) 0.3892(4) 0.0225(10) Uani 1 1 d . A .
C4 C 0.2894(6) 0.3133(5) 0.4227(5) 0.0251(11) Uani 1 1 d . . .
H4 H 0.2758 0.2637 0.4663 0.030 Uiso 1 1 calc R A .
C5 C 0.3993(6) 0.3301(6) 0.3909(5) 0.0306(12) Uani 1 1 d . A .
H5 H 0.4600 0.2919 0.4135 0.037 Uiso 1 1 calc R . .
C6 C 0.4193(7) 0.4027(6) 0.3263(5) 0.0323(12) Uani 1 1 d . . .
H6 H 0.4940 0.4142 0.3055 0.039 Uiso 1 1 calc R A .
C7 C 0.3285(7) 0.4589(6) 0.2918(5) 0.0288(11) Uani 1 1 d . A .
C8 C 0.0859(6) 0.3554(5) 0.4284(4) 0.0227(10) Uani 1 1 d . . .
C9 C 0.4484(7) 0.6624(6) 0.1449(5) 0.0333(12) Uani 1 1 d . . .
C10 C 0.4047(9) 0.6160(7) 0.0340(6) 0.0447(16) Uani 1 1 d . A .
H10 H 0.3695 0.5241 -0.0072 0.054 Uiso 1 1 calc R . .
C11 C 0.4146(8) 0.7096(7) -0.0138(6) 0.0487(17) Uani 1 1 d . . .
H11A H 0.3816 0.6803 -0.0895 0.058 Uiso 1 1 calc R A .
C12 C 0.4722(7) 0.8451(6) 0.0483(5) 0.0375(14) Uani 1 1 d . A .
H12A H 0.4775 0.9069 0.0141 0.045 Uiso 1 1 calc R . .
C13 C 0.5237(6) 0.8937(5) 0.1624(5) 0.0272(11) Uani 1 1 d . . .
C14 C 0.5108(6) 0.7999(5) 0.2120(5) 0.0255(10) Uani 1 1 d . A .
C15 C 0.5607(6) 0.8448(5) 0.3350(5) 0.0256(11) Uani 1 1 d . . .
C16 C 0.5976(6) 1.0461(5) 0.2276(5) 0.0270(11) Uani 1 1 d . A .
C17 C 0.1075(11) 0.7110(8) 0.1137(7) 0.060(2) Uani 1 1 d . . .
H17 H 0.0694 0.6158 0.0897 0.072 Uiso 1 1 calc R . .
C18 C 0.1084(10) 0.7715(7) 0.0386(6) 0.053(2) Uani 1 1 d . . .
H18 H 0.0708 0.7175 -0.0351 0.064 Uiso 1 1 calc R . .
C19 C 0.1655(7) 0.9123(6) 0.0740(5) 0.0294(11) Uani 1 1 d . . .
C20 C 0.2184(8) 0.9842(7) 0.1840(5) 0.0429(15) Uani 1 1 d . . .
H20 H 0.2573 1.0796 0.2111 0.051 Uiso 1 1 calc R . .
C21 C 0.2149(8) 0.9185(8) 0.2543(5) 0.0454(16) Uani 1 1 d . . .
H21A H 0.2526 0.9692 0.3288 0.055 Uiso 1 1 calc R . .
C22 C 0.1149(9) 0.9787(8) -0.1825(6) 0.0482(17) Uani 1 1 d . . .
H22A H 0.0801 0.9283 -0.2565 0.058 Uiso 1 1 calc R . .
C23 C 0.1146(9) 0.9101(7) -0.1135(5) 0.0425(15) Uani 1 1 d . . .
H23 H 0.0800 0.8156 -0.1408 0.051 Uiso 1 1 calc R . .
C24 C 0.1654(7) 0.9816(6) -0.0042(5) 0.0304(12) Uani 1 1 d . . .
C25 C 0.2168(9) 1.1223(7) 0.0315(6) 0.0471(17) Uani 1 1 d . . .
H25A H 0.2545 1.1761 0.1053 0.057 Uiso 1 1 calc R . .
C26 C 0.2107(9) 1.1800(7) -0.0446(6) 0.0483(17) Uani 1 1 d . . .
H26 H 0.2439 1.2742 -0.0196 0.058 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'
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
O7 Dy1 O1 133.96(13) 2_676 .
O7 Dy1 O3w 74.14(12) 2_676 .
O1 Dy1 O3w 107.79(13) . .
O7 Dy1 O1w 76.32(12) 2_676 .
O1 Dy1 O1w 81.26(12) . .
O3w Dy1 O1w 145.90(13) . .
O7 Dy1 O4 73.80(14) 2_676 2_566
O1 Dy1 O4 136.00(13) . 2_566
O3w Dy1 O4 113.42(14) . 2_566
O1w Dy1 O4 73.41(12) . 2_566
O7 Dy1 O2w 69.34(13) 2_676 .
O1 Dy1 O2w 66.36(12) . .
O3w Dy1 O2w 78.25(13) . .
O1w Dy1 O2w 75.67(12) . .
O4 Dy1 O2w 136.25(12) 2_566 .
O7 Dy1 O3 142.84(12) 2_676 .
O1 Dy1 O3 71.92(11) . .
O3w Dy1 O3 71.83(13) . .
O1w Dy1 O3 140.44(13) . .
O4 Dy1 O3 106.77(12) 2_566 .
O2w Dy1 O3 116.79(11) . .
O7 Dy1 O4w 137.95(12) 2_676 .
O1 Dy1 O4w 69.77(13) . .
O3w Dy1 O4w 139.42(12) . .
O1w Dy1 O4w 74.68(12) . .
O4 Dy1 O4w 69.15(14) 2_566 .
O2w Dy1 O4w 129.78(12) . .
O3 Dy1 O4w 69.08(11) . .
O7 Dy1 O3 94.32(13) 2_676 2_566
O1 Dy1 O3 131.34(12) . 2_566
O3w Dy1 O3 75.50(12) . 2_566
O1w Dy1 O3 123.68(12) . 2_566
O4 Dy1 O3 51.03(11) 2_566 2_566
O2w Dy1 O3 152.11(12) . 2_566
O3 Dy1 O3 63.06(14) . 2_566
O4w Dy1 O3 77.54(12) . 2_566
C1 O1 Dy1 122.4(3) . .
C8 O3 Dy1 138.7(3) . .
C8 O3 Dy1 90.3(3) . 2_566
Dy1 O3 Dy1 116.93(13) . 2_566
C8 O4 Dy1 97.9(3) . 2_566
C16 O7 Dy1 140.2(3) . 2_676
Dy1 O1w H11 118(4) . .
Dy1 O1w H12 114(4) . .
H11 O1w H12 109.6(18) . .
Dy1 O2w H21 115(5) . .
Dy1 O2w H22 113(4) . .
H21 O2w H22 109.9(18) . .
Dy1 O3w H31 100(5) . .
Dy1 O3w H32 116(5) . .
H31 O3w H32 109.4(18) . .
Dy1 O4w H41 98(5) . .
Dy1 O4w H42 99(5) . .
H41 O4w H42 110.4(19) . .
H51 O5w H52 110.3(18) . .
N2 N1 O9' 104.5(10) . .
N2 N1 C7 121.7(5) . .
O9' N1 C7 115.8(9) . .
N1 N2 O9 128.1(6) . .
N1 N2 C9 114.9(5) . .
O9 N2 C9 114.9(6) . .
C17 N3 C21 121.4(6) . .
C17 N3 H3 127(5) . .
C21 N3 H3 112(5) . .
C26 N4 C22 115.8(5) . .
O2 C1 O1 124.3(4) . .
O2 C1 C2 119.9(5) . .
O1 C1 C2 115.7(5) . .
C3 C2 C7 118.5(4) . .
C3 C2 C1 121.8(5) . .
C7 C2 C1 119.7(4) . .
C2 C3 C4 120.7(5) . .
C2 C3 C8 121.1(4) . .
C4 C3 C8 118.3(4) . .
C5 C4 C3 119.8(5) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C6 C5 C4 120.4(5) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C7 120.1(5) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C6 C7 C2 120.6(5) . .
C6 C7 N1 125.1(5) . .
C2 C7 N1 114.1(4) . .
O4 C8 O3 120.7(5) . .
O4 C8 C3 119.5(4) . .
O3 C8 C3 119.9(4) . .
C10 C9 C14 123.6(5) . .
C10 C9 N2 117.1(5) . .
C14 C9 N2 119.3(5) . .
C11 C10 C9 117.8(6) . .
C11 C10 H10 121.1 . .
C9 C10 H10 121.1 . .
C12 C11 C10 120.5(6) . .
C12 C11 H11A 119.7 . .
C10 C11 H11A 119.7 . .
C11 C12 C13 121.6(5) . .
C11 C12 H12A 119.2 . .
C13 C12 H12A 119.2 . .
C14 C13 C12 118.8(5) . .
C14 C13 C16 122.2(5) . .
C12 C13 C16 118.9(5) . .
C9 C14 C13 117.5(5) . .
C9 C14 C15 120.9(5) . .
C13 C14 C15 121.6(5) . .
O5 C15 O6 124.8(5) . .
O5 C15 C14 117.5(5) . .
O6 C15 C14 117.7(5) . .
O8 C16 O7 125.3(5) . .
O8 C16 C13 118.3(5) . .
O7 C16 C13 116.3(4) . .
N3 C17 C18 121.5(6) . .
N3 C17 H17 119.3 . .
C18 C17 H17 119.3 . .
C19 C18 C17 119.3(7) . .
C19 C18 H18 120.3 . .
C17 C18 H18 120.3 . .
C20 C19 C18 116.7(5) . .
C20 C19 C24 122.0(5) . .
C18 C19 C24 121.3(5) . .
C21 C20 C19 121.2(6) . .
C21 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
N3 C21 C20 119.9(6) . .
N3 C21 H21A 120.1 . .
C20 C21 H21A 120.1 . .
N4 C22 C23 123.5(6) . .
N4 C22 H22A 118.3 . .
C23 C22 H22A 118.3 . .
C24 C23 C22 119.5(6) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
C23 C24 C25 117.4(5) . .
C23 C24 C19 121.9(5) . .
C25 C24 C19 120.7(5) . .
C26 C25 C24 118.3(6) . .
C26 C25 H25A 120.9 . .
C24 C25 H25A 120.9 . .
N4 C26 C25 125.5(6) . .
N4 C26 H26 117.2 . .
C25 C26 H26 117.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.393(4) .
Dy1 O3 2.526(3) .
Dy1 O3 2.606(4) 2_566
Dy1 O4 2.463(4) 2_566
Dy1 O7 2.376(4) 2_676
Dy1 O1w 2.448(3) .
Dy1 O2w 2.476(4) .
Dy1 O3w 2.403(4) .
Dy1 O4w 2.591(4) .
O1 C1 1.266(6) .
O2 C1 1.220(7) .
O3 C8 1.275(6) .
O3 Dy1 2.606(3) 2_566
O4 C8 1.243(6) .
O4 Dy1 2.463(4) 2_566
O5 C15 1.239(7) .
O6 C15 1.254(7) .
O7 C16 1.262(7) .
O7 Dy1 2.376(4) 2_676
O8 C16 1.225(6) .
O9 N2 1.250(8) .
O9' N1 1.356(19) .
O1w H11 0.838(10) .
O1w H12 0.837(10) .
O2w H21 0.840(10) .
O2w H22 0.834(10) .
O3w H31 0.839(10) .
O3w H32 0.839(10) .
O4w H41 0.836(10) .
O4w H42 0.834(10) .
O5w H51 0.834(10) .
O5w H52 0.837(10) .
N1 N2 1.195(7) .
N1 C7 1.418(7) .
N2 C9 1.465(7) .
N3 C17 1.292(10) .
N3 C21 1.314(9) .
N3 H3 0.874(10) .
N4 C26 1.303(9) .
N4 C22 1.336(9) .
C1 C2 1.516(6) .
C2 C3 1.384(7) .
C2 C7 1.399(7) .
C3 C4 1.394(6) .
C3 C8 1.484(7) .
C4 C5 1.381(8) .
C4 H4 0.9300 .
C5 C6 1.372(8) .
C5 H5 0.9300 .
C6 C7 1.385(7) .
C6 H6 0.9300 .
C9 C10 1.373(9) .
C9 C14 1.385(8) .
C10 C11 1.369(9) .
C10 H10 0.9300 .
C11 C12 1.360(9) .
C11 H11A 0.9300 .
C12 C13 1.399(8) .
C12 H12A 0.9300 .
C13 C14 1.387(7) .
C13 C16 1.497(7) .
C14 C15 1.521(8) .
C17 C18 1.380(9) .
C17 H17 0.9300 .
C18 C19 1.375(9) .
C18 H18 0.9300 .
C19 C20 1.371(9) .
C19 C24 1.486(7) .
C20 C21 1.364(8) .
C20 H20 0.9300 .
C21 H21A 0.9300 .
C22 C23 1.371(9) .
C22 H22A 0.9300 .
C23 C24 1.368(8) .
C23 H23 0.9300 .
C24 C25 1.383(8) .
C25 C26 1.367(9) .
C25 H25A 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
O1w H11 O6 0.84(1) 1.93(1) 2.763(6) 170(6) 2_676
O1w H12 O5w 0.84(1) 1.85(2) 2.677(6) 167(7) .
O2w H21 O5 0.84(1) 2.03(2) 2.831(5) 159(5) .
O2w H22 O5 0.83(1) 1.89(2) 2.714(5) 173(6) 2_676
O3w H31 O8 0.84(1) 1.80(1) 2.632(6) 174(6) 2_676
O3w H32 O4w 0.84(1) 1.93(1) 2.768(5) 174(7) 2_566
O4w H41 O2 0.84(1) 2.22(3) 2.975(7) 150(5) .
O4w H42 O5w 0.83(1) 1.84(2) 2.667(5) 171(6) .
O5w H51 O6 0.83(1) 1.92(3) 2.719(6) 159(8) 1_455
O5w H52 N4 0.84(1) 1.92(1) 2.760(6) 178(7) 2_575
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
O7 Dy1 O1 C1 155.2(3) 2_676 .
O3w Dy1 O1 C1 70.3(4) . .
O1w Dy1 O1 C1 -143.6(4) . .
O4 Dy1 O1 C1 -88.7(4) 2_566 .
O2w Dy1 O1 C1 138.3(4) . .
O3 Dy1 O1 C1 7.0(4) . .
O4w Dy1 O1 C1 -66.8(4) . .
O3 Dy1 O1 C1 -15.8(4) 2_566 .
O7 Dy1 O3 C8 -68.0(6) 2_676 .
O1 Dy1 O3 C8 73.1(5) . .
O3w Dy1 O3 C8 -43.4(5) . .
O1w Dy1 O3 C8 122.8(5) . .
O4 Dy1 O3 C8 -153.2(5) 2_566 .
O2w Dy1 O3 C8 22.6(5) . .
O4w Dy1 O3 C8 147.7(5) . .
O3 Dy1 O3 C8 -126.0(6) 2_566 .
O7 Dy1 O3 Dy1 58.0(3) 2_676 2_566
O1 Dy1 O3 Dy1 -160.94(18) . 2_566
O3w Dy1 O3 Dy1 82.60(17) . 2_566
O1w Dy1 O3 Dy1 -111.2(2) . 2_566
O4 Dy1 O3 Dy1 -27.15(19) 2_566 2_566
O2w Dy1 O3 Dy1 148.66(14) . 2_566
O4w Dy1 O3 Dy1 -86.28(16) . 2_566
O3 Dy1 O3 Dy1 0.0 2_566 2_566
O9' N1 N2 O9 -108.3(12) . .
C7 N1 N2 O9 25.2(12) . .
O9' N1 N2 C9 54.2(12) . .
C7 N1 N2 C9 -172.3(6) . .
Dy1 O1 C1 O2 96.0(6) . .
Dy1 O1 C1 C2 -86.2(5) . .
O2 C1 C2 C3 -88.8(7) . .
O1 C1 C2 C3 93.2(6) . .
O2 C1 C2 C7 92.1(7) . .
O1 C1 C2 C7 -85.8(7) . .
C7 C2 C3 C4 -0.3(8) . .
C1 C2 C3 C4 -179.4(5) . .
C7 C2 C3 C8 178.0(5) . .
C1 C2 C3 C8 -1.1(8) . .
C2 C3 C4 C5 0.6(8) . .
C8 C3 C4 C5 -177.8(5) . .
C3 C4 C5 C6 -0.2(9) . .
C4 C5 C6 C7 -0.4(9) . .
C5 C6 C7 C2 0.8(9) . .
C5 C6 C7 N1 176.2(6) . .
C3 C2 C7 C6 -0.4(9) . .
C1 C2 C7 C6 178.7(5) . .
C3 C2 C7 N1 -176.3(5) . .
C1 C2 C7 N1 2.8(8) . .
N2 N1 C7 C6 7.5(11) . .
O9' N1 C7 C6 136.2(12) . .
N2 N1 C7 C2 -176.8(7) . .
O9' N1 C7 C2 -48.0(13) . .
Dy1 O4 C8 O3 3.8(5) 2_566 .
Dy1 O4 C8 C3 -175.8(4) 2_566 .
Dy1 O3 C8 O4 130.3(5) . .
Dy1 O3 C8 O4 -3.5(5) 2_566 .
Dy1 O3 C8 C3 -50.1(7) . .
Dy1 O3 C8 C3 176.0(4) 2_566 .
C2 C3 C8 O4 157.7(5) . .
C4 C3 C8 O4 -23.9(8) . .
C2 C3 C8 O3 -21.8(8) . .
C4 C3 C8 O3 156.6(5) . .
N1 N2 C9 C10 -118.0(8) . .
O9 N2 C9 C10 46.8(9) . .
N1 N2 C9 C14 63.4(8) . .
O9 N2 C9 C14 -131.7(7) . .
C14 C9 C10 C11 -4.3(11) . .
N2 C9 C10 C11 177.3(6) . .
C9 C10 C11 C12 2.8(11) . .
C10 C11 C12 C13 0.3(12) . .
C11 C12 C13 C14 -2.1(10) . .
C11 C12 C13 C16 175.1(6) . .
C10 C9 C14 C13 2.5(9) . .
N2 C9 C14 C13 -179.0(5) . .
C10 C9 C14 C15 -178.4(6) . .
N2 C9 C14 C15 0.1(8) . .
C12 C13 C14 C9 0.7(8) . .
C16 C13 C14 C9 -176.3(5) . .
C12 C13 C14 C15 -178.4(5) . .
C16 C13 C14 C15 4.6(8) . .
C9 C14 C15 O5 -109.1(6) . .
C13 C14 C15 O5 70.0(7) . .
C9 C14 C15 O6 72.0(7) . .
C13 C14 C15 O6 -108.9(6) . .
Dy1 O7 C16 O8 14.5(10) 2_676 .
Dy1 O7 C16 C13 -165.3(4) 2_676 .
C14 C13 C16 O8 -148.2(6) . .
C12 C13 C16 O8 34.8(9) . .
C14 C13 C16 O7 31.6(8) . .
C12 C13 C16 O7 -145.4(6) . .
C21 N3 C17 C18 -0.9(13) . .
N3 C17 C18 C19 0.4(14) . .
C17 C18 C19 C20 -0.1(11) . .
C17 C18 C19 C24 -178.5(7) . .
C18 C19 C20 C21 0.4(10) . .
C24 C19 C20 C21 178.7(6) . .
C17 N3 C21 C20 1.1(11) . .
C19 C20 C21 N3 -0.9(11) . .
C26 N4 C22 C23 0.4(11) . .
N4 C22 C23 C24 -0.2(12) . .
C22 C23 C24 C25 -0.7(11) . .
C22 C23 C24 C19 179.0(6) . .
C20 C19 C24 C23 179.1(7) . .
C18 C19 C24 C23 -2.6(10) . .
C20 C19 C24 C25 -1.2(9) . .
C18 C19 C24 C25 177.1(7) . .
C23 C24 C25 C26 1.3(11) . .
C19 C24 C25 C26 -178.4(6) . .
C22 N4 C26 C25 0.3(12) . .
C24 C25 C26 N4 -1.2(13) . .
