#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:57:47 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268721 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/76/7707666.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_7707666
loop_
_publ_author_name
'Zhang, Li'
'Montigaud, Vincent'
'Le Guennic, Boris'
'Zhang, Peng'
'Tang, Jinkui'
_publ_section_title
;
 Dysprosium(III) compounds assembled via a versatile ligand
 incorporating salicylic hydrazide and 8-hydroxyquinolin units: syntheses,
 structures and magnetic properties.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9457
_journal_page_last               9466
_journal_paper_doi               10.1039/d1dt01525g
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C46 H50 Dy2 N12 O16, 4(C3 H7 N O)'
_chemical_formula_sum            'C58 H78 Dy2 N16 O20'
_chemical_formula_weight         1644.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-06-03
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2021-06-11 deposited with the CCDC.	2021-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.326(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.829(2)
_cell_length_b                   17.777(2)
_cell_length_c                   12.5849(17)
_cell_measurement_reflns_used    7948
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.62
_cell_volume                     3574.1(8)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21937
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.027
_diffrn_reflns_theta_min         1.714
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_T_max  0.664
_exptl_absorpt_correction_T_min  0.643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombic
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.524
_refine_diff_density_min         -1.958
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7023
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0491
_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)+(0.0754P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1353
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5128
_reflns_number_total             7023
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01525g2.cif
_cod_data_source_block           3dy2
_cod_depositor_comments
'Adding full bibliography for 7707665--7707669.cif.'
_cod_database_code               7707666
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O10) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C27)
\\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3A), C4(H4), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C21(H21), C26(H26), C28(H28)
3.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C29(H29A,
 H29B,H29C)
3.c Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.09566(2) 0.48988(2) 0.44171(2) 0.03120(12) Uani 1 1 d . . . . .
O1 O -0.0227(2) 0.5643(2) 0.4438(3) 0.0329(9) Uani 1 1 d . . . . .
O2 O 0.1982(3) 0.3954(2) 0.4689(3) 0.0399(10) Uani 1 1 d . . . . .
O3 O 0.3434(4) 0.3604(4) 0.2589(5) 0.092(2) Uani 1 1 d . . . . .
H3 H 0.299965 0.384643 0.245971 0.139 Uiso 1 1 calc R U . . .
O4 O 0.2349(3) 0.5587(3) 0.4517(4) 0.0652(14) Uani 1 1 d . . . . .
O5 O 0.1351(3) 0.6270(3) 0.4667(4) 0.0545(12) Uani 1 1 d . . . . .
O6 O 0.2579(3) 0.6752(3) 0.4963(5) 0.0833(18) Uani 1 1 d . . . . .
O7 O 0.1766(3) 0.5100(2) 0.6327(4) 0.0480(12) Uani 1 1 d . . . . .
O8 O 0.0080(3) 0.3968(2) 0.3277(3) 0.0459(11) Uani 1 1 d . . . . .
O9 O 0.6043(9) 0.1199(8) 0.6476(12) 0.221(7) Uani 1 1 d . . . . .
O10 O 0.7682(6) 0.0899(6) 0.4065(8) 0.169(4) Uani 1 1 d . U . . .
N1 N 0.0272(3) 0.5568(3) 0.2634(3) 0.0334(11) Uani 1 1 d . . . . .
N2 N 0.1478(3) 0.4617(3) 0.2793(4) 0.0371(11) Uani 1 1 d . . . . .
N3 N 0.2133(3) 0.4122(3) 0.2950(4) 0.0389(12) Uani 1 1 d . . . . .
N4 N 0.2103(4) 0.6215(3) 0.4732(4) 0.0483(14) Uani 1 1 d . . . . .
N5 N 0.2506(5) 0.4698(4) 0.8043(5) 0.072(2) Uani 1 1 d . . . . .
N6 N -0.0907(4) 0.3093(3) 0.2579(4) 0.0508(14) Uani 1 1 d . . . . .
N7 N 0.5511(7) 0.0480(8) 0.7551(10) 0.128(4) Uani 1 1 d . . . . .
N8 N 0.6571(5) 0.1451(5) 0.2907(9) 0.101(3) Uani 1 1 d . . . . .
C1 C -0.0529(3) 0.6155(3) 0.3631(5) 0.0327(13) Uani 1 1 d . . . . .
C2 C -0.1056(4) 0.6726(3) 0.3683(5) 0.0438(15) Uani 1 1 d . . . . .
H2 H -0.119597 0.678826 0.433595 0.053 Uiso 1 1 calc R U . . .
C3 C -0.1396(4) 0.7226(4) 0.2785(5) 0.0499(17) Uani 1 1 d . . . . .
H3A H -0.175538 0.760660 0.285324 0.060 Uiso 1 1 calc R U . . .
C4 C -0.1199(4) 0.7154(4) 0.1806(5) 0.0549(18) Uani 1 1 d . . . . .
H4 H -0.143410 0.747872 0.120997 0.066 Uiso 1 1 calc R U . . .
C5 C -0.0642(4) 0.6589(3) 0.1714(5) 0.0447(15) Uani 1 1 d . . . . .
C6 C -0.0299(4) 0.6099(3) 0.2624(5) 0.0338(13) Uani 1 1 d . . . . .
C7 C 0.0514(4) 0.5479(3) 0.1732(5) 0.0400(14) Uani 1 1 d . . . . .
C8 C 0.0184(5) 0.5918(4) 0.0762(5) 0.0531(18) Uani 1 1 d . . . . .
H8 H 0.034750 0.583602 0.013083 0.064 Uiso 1 1 calc R U . . .
C9 C -0.0381(4) 0.6466(4) 0.0767(5) 0.0552(18) Uani 1 1 d . . . . .
H9 H -0.059851 0.676417 0.013525 0.066 Uiso 1 1 calc R U . . .
C10 C 0.1173(4) 0.4930(3) 0.1832(5) 0.0394(14) Uani 1 1 d . . . . .
H10 H 0.136318 0.481174 0.123304 0.047 Uiso 1 1 calc R U . . .
C11 C 0.2354(4) 0.3829(3) 0.3972(5) 0.0382(14) Uani 1 1 d . . . . .
C12 C 0.3088(4) 0.3320(3) 0.4254(5) 0.0405(14) Uani 1 1 d . . . . .
C13 C 0.3290(4) 0.2904(4) 0.5251(5) 0.0496(16) Uani 1 1 d . . . . .
H13 H 0.296385 0.295518 0.572245 0.059 Uiso 1 1 calc R U . . .
C14 C 0.3962(4) 0.2423(4) 0.5541(6) 0.0565(19) Uani 1 1 d . . . . .
H14 H 0.407765 0.214147 0.619557 0.068 Uiso 1 1 calc R U . . .
C15 C 0.4460(5) 0.2353(5) 0.4882(7) 0.072(2) Uani 1 1 d . . . . .
H15 H 0.492043 0.203252 0.508690 0.086 Uiso 1 1 calc R U . . .
C16 C 0.4271(5) 0.2770(5) 0.3889(7) 0.076(3) Uani 1 1 d . . . . .
H16 H 0.461380 0.273091 0.343811 0.092 Uiso 1 1 calc R U . . .
C17 C 0.3584(5) 0.3237(4) 0.3574(6) 0.061(2) Uani 1 1 d . . . . .
C18 C -0.0465(4) 0.3537(4) 0.3372(5) 0.0468(16) Uani 1 1 d . . . . .
H18 H -0.056919 0.352658 0.405529 0.056 Uiso 1 1 calc R U . . .
C19 C -0.0787(5) 0.3078(4) 0.1487(6) 0.067(2) Uani 1 1 d . . . . .
H19A H -0.031832 0.338995 0.149857 0.100 Uiso 1 1 calc R U . . .
H19B H -0.128146 0.326452 0.093406 0.100 Uiso 1 1 calc R U . . .
H19C H -0.068199 0.257140 0.130465 0.100 Uiso 1 1 calc R U . . .
C20 C -0.1556(5) 0.2615(5) 0.2722(7) 0.081(3) Uani 1 1 d . . . . .
H20A H -0.144273 0.210184 0.257928 0.121 Uiso 1 1 calc R U . . .
H20B H -0.208614 0.276385 0.220795 0.121 Uiso 1 1 calc R U . . .
H20C H -0.157280 0.265965 0.347517 0.121 Uiso 1 1 calc R U . . .
C21 C 0.2305(5) 0.4707(5) 0.6954(6) 0.062(2) Uani 1 1 d . . . . .
H21 H 0.259884 0.438658 0.662826 0.074 Uiso 1 1 calc R U . . .
C22 C 0.2092(9) 0.5190(6) 0.8597(9) 0.119(4) Uani 1 1 d . . . . .
H22A H 0.229886 0.569324 0.859120 0.179 Uiso 1 1 calc R U . . .
H22B H 0.219896 0.502743 0.935611 0.179 Uiso 1 1 calc R U . . .
H22C H 0.150057 0.518120 0.821480 0.179 Uiso 1 1 calc R U . . .
C23 C 0.3132(7) 0.4201(7) 0.8763(9) 0.149(6) Uani 1 1 d . . . . .
H23A H 0.288894 0.392614 0.924064 0.224 Uiso 1 1 calc R U . . .
H23B H 0.359497 0.449371 0.921243 0.224 Uiso 1 1 calc R U . . .
H23C H 0.332391 0.385502 0.831144 0.224 Uiso 1 1 calc R U . . .
C24 C 0.5567(12) 0.0256(10) 0.8689(16) 0.179(7) Uani 1 1 d . U . . .
H24A H 0.603226 0.050802 0.921208 0.269 Uiso 1 1 calc R U . . .
H24B H 0.564750 -0.027800 0.876668 0.269 Uiso 1 1 calc R U . . .
H24C H 0.505990 0.039172 0.883645 0.269 Uiso 1 1 calc R U . . .
C25 C 0.4814(10) 0.0245(9) 0.6626(14) 0.181(7) Uani 1 1 d . U . . .
H25A H 0.473706 0.059096 0.601588 0.271 Uiso 1 1 calc R U . . .
H25B H 0.431849 0.023439 0.684770 0.271 Uiso 1 1 calc R U . . .
H25C H 0.492020 -0.024909 0.639227 0.271 Uiso 1 1 calc R U . . .
C26 C 0.6056(10) 0.0970(9) 0.7368(16) 0.149(7) Uani 1 1 d . . . . .
H26 H 0.647923 0.114484 0.798880 0.178 Uiso 1 1 calc R U . . .
C27 C 0.6326(10) 0.1796(9) 0.3733(14) 0.195(7) Uani 1 1 d . U . . .
H27A H 0.585156 0.153577 0.382297 0.293 Uiso 1 1 calc R U . . .
H27B H 0.617787 0.230884 0.352697 0.293 Uiso 1 1 calc R U . . .
H27C H 0.677884 0.178217 0.442484 0.293 Uiso 1 1 calc R U . . .
C28 C 0.7147(10) 0.0965(9) 0.3098(14) 0.153(5) Uani 1 1 d . U . . .
H28 H 0.717952 0.065026 0.252295 0.183 Uiso 1 1 calc R U . . .
C29 C 0.6130(10) 0.1663(10) 0.1770(14) 0.207(8) Uani 1 1 d . U . . .
H29A H 0.611882 0.220178 0.170738 0.310 Uiso 1 1 calc R U . . .
H29B H 0.556728 0.147512 0.156443 0.310 Uiso 1 1 calc R U . . .
H29C H 0.640945 0.145478 0.127984 0.310 Uiso 1 1 calc R U . . .
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
_geom_angle_publ_flag
O1 Dy1 Dy1 34.26(9) 3_566 3_566 ?
O1 Dy1 Dy1 33.82(8) . 3_566 ?
O1 Dy1 O1 68.08(14) 3_566 . ?
O1 Dy1 O4 118.51(15) . . ?
O1 Dy1 O4 142.09(15) 3_566 . ?
O1 Dy1 O5 69.67(15) . . ?
O1 Dy1 O5 118.90(15) 3_566 . ?
O1 Dy1 O7 71.92(15) 3_566 . ?
O1 Dy1 O8 75.07(14) 3_566 . ?
O1 Dy1 N1 66.06(14) . . ?
O1 Dy1 N1 124.24(14) 3_566 . ?
O1 Dy1 N2 142.42(15) 3_566 . ?
O1 Dy1 N2 128.47(14) . . ?
O2 Dy1 Dy1 131.04(10) . 3_566 ?
O2 Dy1 O1 96.78(13) . 3_566 ?
O2 Dy1 O1 164.84(13) . . ?
O2 Dy1 O4 73.81(15) . . ?
O2 Dy1 O5 121.28(15) . . ?
O2 Dy1 O7 78.50(15) . . ?
O2 Dy1 O8 83.02(14) . . ?
O2 Dy1 N1 125.74(15) . . ?
O2 Dy1 N2 63.17(15) . . ?
O4 Dy1 Dy1 139.73(12) . 3_566 ?
O5 Dy1 Dy1 94.54(12) . 3_566 ?
O5 Dy1 O4 48.97(16) . . ?
O7 Dy1 Dy1 83.47(13) . 3_566 ?
O7 Dy1 O1 96.86(15) . . ?
O7 Dy1 O4 70.23(16) . . ?
O7 Dy1 O5 71.62(14) . . ?
O7 Dy1 N1 142.60(14) . . ?
O7 Dy1 N2 127.83(16) . . ?
O8 Dy1 Dy1 82.18(11) . 3_566 ?
O8 Dy1 O1 91.74(14) . . ?
O8 Dy1 O4 137.14(16) . . ?
O8 Dy1 O5 147.00(15) . . ?
O8 Dy1 O7 139.63(15) . . ?
O8 Dy1 N1 76.36(15) . . ?
O8 Dy1 N2 71.31(15) . . ?
N1 Dy1 Dy1 95.24(11) . 3_566 ?
N1 Dy1 O4 88.49(16) . . ?
N1 Dy1 O5 71.24(15) . . ?
N1 Dy1 N2 62.74(15) . . ?
N2 Dy1 Dy1 148.54(11) . 3_566 ?
N2 Dy1 O4 66.14(16) . . ?
N2 Dy1 O5 98.55(16) . . ?
Dy1 O1 Dy1 111.91(14) 3_566 . ?
C1 O1 Dy1 126.2(3) . 3_566 ?
C1 O1 Dy1 119.0(3) . . ?
C11 O2 Dy1 121.6(4) . . ?
C17 O3 H3 109.5 . . ?
N4 O4 Dy1 94.3(4) . . ?
N4 O5 Dy1 98.9(4) . . ?
C21 O7 Dy1 129.7(5) . . ?
C18 O8 Dy1 135.7(4) . . ?
C6 N1 Dy1 118.2(3) . . ?
C7 N1 Dy1 122.4(4) . . ?
C7 N1 C6 119.0(5) . . ?
N3 N2 Dy1 118.7(3) . . ?
C10 N2 Dy1 122.7(4) . . ?
C10 N2 N3 118.6(5) . . ?
C11 N3 N2 110.9(5) . . ?
O5 N4 O4 117.1(6) . . ?
O6 N4 O4 120.8(6) . . ?
O6 N4 O5 122.1(6) . . ?
C21 N5 C22 119.9(8) . . ?
C21 N5 C23 124.2(9) . . ?
C22 N5 C23 115.9(9) . . ?
C18 N6 C19 121.3(6) . . ?
C18 N6 C20 122.2(6) . . ?
C20 N6 C19 116.5(6) . . ?
C25 N7 C24 120.2(15) . . ?
C26 N7 C24 120.6(14) . . ?
C26 N7 C25 118.8(14) . . ?
C27 N8 C29 116.8(12) . . ?
C28 N8 C27 123.7(14) . . ?
C28 N8 C29 119.6(14) . . ?
O1 C1 C2 124.6(5) . . ?
O1 C1 C6 118.5(5) . . ?
C2 C1 C6 116.9(5) . . ?
C1 C2 H2 118.7 . . ?
C1 C2 C3 122.5(6) . . ?
C3 C2 H2 118.7 . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 C2 120.5(6) . . ?
C4 C3 H3A 119.8 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.6(6) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 119.3(6) . . ?
C4 C5 C9 125.1(6) . . ?
C9 C5 C6 115.6(6) . . ?
N1 C6 C1 115.4(5) . . ?
N1 C6 C5 123.4(5) . . ?
C5 C6 C1 121.1(5) . . ?
N1 C7 C8 122.0(6) . . ?
N1 C7 C10 115.9(5) . . ?
C8 C7 C10 122.0(6) . . ?
C7 C8 H8 120.7 . . ?
C9 C8 C7 118.6(6) . . ?
C9 C8 H8 120.7 . . ?
C5 C9 H9 119.4 . . ?
C8 C9 C5 121.3(6) . . ?
C8 C9 H9 119.4 . . ?
N2 C10 C7 116.2(5) . . ?
N2 C10 H10 121.9 . . ?
C7 C10 H10 121.9 . . ?
O2 C11 N3 124.8(6) . . ?
O2 C11 C12 119.8(5) . . ?
N3 C11 C12 115.4(5) . . ?
C13 C12 C11 119.0(6) . . ?
C17 C12 C11 122.6(6) . . ?
C17 C12 C13 118.4(6) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.9(7) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.7(7) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.1(7) . . ?
C16 C15 H15 120.5 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.7(7) . . ?
C17 C16 H16 119.7 . . ?
O3 C17 C12 122.9(6) . . ?
O3 C17 C16 116.9(7) . . ?
C16 C17 C12 120.2(7) . . ?
O8 C18 N6 124.4(6) . . ?
O8 C18 H18 117.8 . . ?
N6 C18 H18 117.8 . . ?
N6 C19 H19A 109.5 . . ?
N6 C19 H19B 109.5 . . ?
N6 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N6 C20 H20A 109.5 . . ?
N6 C20 H20B 109.5 . . ?
N6 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O7 C21 N5 125.6(8) . . ?
O7 C21 H21 117.2 . . ?
N5 C21 H21 117.2 . . ?
N5 C22 H22A 109.5 . . ?
N5 C22 H22B 109.5 . . ?
N5 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N7 C24 H24A 109.5 . . ?
N7 C24 H24B 109.5 . . ?
N7 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N7 C25 H25A 109.5 . . ?
N7 C25 H25B 109.5 . . ?
N7 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O9 C26 N7 125.2(17) . . ?
O9 C26 H26 117.4 . . ?
N7 C26 H26 117.4 . . ?
N8 C27 H27A 109.5 . . ?
N8 C27 H27B 109.5 . . ?
N8 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 H28 119.5 . . ?
N8 C28 O10 121.0(15) . . ?
N8 C28 H28 119.5 . . ?
N8 C29 H29A 109.5 . . ?
N8 C29 H29B 109.5 . . ?
N8 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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 Dy1 3.9522(7) 3_566 ?
Dy1 O1 2.371(4) 3_566 ?
Dy1 O1 2.398(4) . ?
Dy1 O2 2.355(4) . ?
Dy1 O4 2.611(5) . ?
Dy1 O5 2.520(5) . ?
Dy1 O7 2.389(4) . ?
Dy1 O8 2.375(4) . ?
Dy1 N1 2.480(4) . ?
Dy1 N2 2.516(5) . ?
O1 C1 1.338(6) . ?
O2 C11 1.268(7) . ?
O3 H3 0.8200 . ?
O3 C17 1.352(9) . ?
O4 N4 1.250(7) . ?
O5 N4 1.245(7) . ?
O6 N4 1.221(7) . ?
O7 C21 1.218(8) . ?
O8 C18 1.229(7) . ?
O9 C26 1.19(2) . ?
O10 C28 1.271(15) . ?
N1 C6 1.344(7) . ?
N1 C7 1.331(7) . ?
N2 N3 1.375(7) . ?
N2 C10 1.283(7) . ?
N3 C11 1.328(7) . ?
N5 C21 1.304(9) . ?
N5 C22 1.430(13) . ?
N5 C23 1.452(11) . ?
N6 C18 1.307(8) . ?
N6 C19 1.451(9) . ?
N6 C20 1.440(9) . ?
N7 C24 1.46(2) . ?
N7 C25 1.430(15) . ?
N7 C26 1.335(19) . ?
N8 C27 1.376(16) . ?
N8 C28 1.264(15) . ?
N8 C29 1.440(15) . ?
C1 C2 1.362(8) . ?
C1 C6 1.441(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.411(8) . ?
C3 H3A 0.9300 . ?
C3 C4 1.378(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.403(9) . ?
C5 C6 1.410(8) . ?
C5 C9 1.410(9) . ?
C7 C8 1.408(8) . ?
C7 C10 1.453(9) . ?
C8 H8 0.9300 . ?
C8 C9 1.363(9) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.483(8) . ?
C12 C13 1.403(8) . ?
C12 C17 1.378(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.374(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.357(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.401(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.377(10) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 C2 36.9(8) 3_566 . . . ?
Dy1 O1 C1 C2 -163.7(5) . . . . ?
Dy1 O1 C1 C6 -142.0(4) 3_566 . . . ?
Dy1 O1 C1 C6 17.4(7) . . . . ?
Dy1 O2 C11 N3 -10.4(8) . . . . ?
Dy1 O2 C11 C12 170.0(4) . . . . ?
Dy1 O4 N4 O5 -8.5(6) . . . . ?
Dy1 O4 N4 O6 173.5(5) . . . . ?
Dy1 O5 N4 O4 8.9(6) . . . . ?
Dy1 O5 N4 O6 -173.2(5) . . . . ?
Dy1 O7 C21 N5 -153.8(6) . . . . ?
Dy1 O8 C18 N6 175.7(4) . . . . ?
Dy1 N1 C6 C1 -7.6(6) . . . . ?
Dy1 N1 C6 C5 170.7(4) . . . . ?
Dy1 N1 C7 C8 -173.2(5) . . . . ?
Dy1 N1 C7 C10 3.6(7) . . . . ?
Dy1 N2 N3 C11 4.0(6) . . . . ?
Dy1 N2 C10 C7 1.5(7) . . . . ?
O1 C1 C2 C3 -176.2(6) . . . . ?
O1 C1 C6 N1 -6.1(8) . . . . ?
O1 C1 C6 C5 175.6(5) . . . . ?
O2 C11 C12 C13 8.7(9) . . . . ?
O2 C11 C12 C17 -171.4(6) . . . . ?
N1 C7 C8 C9 2.2(10) . . . . ?
N1 C7 C10 N2 -3.2(8) . . . . ?
N2 N3 C11 O2 3.7(8) . . . . ?
N2 N3 C11 C12 -176.6(5) . . . . ?
N3 N2 C10 C7 -176.6(5) . . . . ?
N3 C11 C12 C13 -171.0(5) . . . . ?
N3 C11 C12 C17 9.0(9) . . . . ?
C1 C2 C3 C4 -0.4(10) . . . . ?
C2 C1 C6 N1 174.9(5) . . . . ?
C2 C1 C6 C5 -3.5(9) . . . . ?
C2 C3 C4 C5 -1.4(11) . . . . ?
C3 C4 C5 C6 0.6(10) . . . . ?
C3 C4 C5 C9 -178.9(7) . . . . ?
C4 C5 C6 N1 -176.4(6) . . . . ?
C4 C5 C6 C1 1.9(9) . . . . ?
C4 C5 C9 C8 177.9(7) . . . . ?
C6 N1 C7 C8 -0.8(9) . . . . ?
C6 N1 C7 C10 176.0(5) . . . . ?
C6 C1 C2 C3 2.7(9) . . . . ?
C6 C5 C9 C8 -1.6(10) . . . . ?
C7 N1 C6 C1 179.7(5) . . . . ?
C7 N1 C6 C5 -2.0(9) . . . . ?
C7 C8 C9 C5 -0.8(11) . . . . ?
C8 C7 C10 N2 173.5(6) . . . . ?
C9 C5 C6 N1 3.2(9) . . . . ?
C9 C5 C6 C1 -178.6(6) . . . . ?
C10 N2 N3 C11 -177.8(5) . . . . ?
C10 C7 C8 C9 -174.4(6) . . . . ?
C11 C12 C13 C14 179.6(6) . . . . ?
C11 C12 C17 O3 -0.9(12) . . . . ?
C11 C12 C17 C16 178.4(7) . . . . ?
C12 C13 C14 C15 1.7(11) . . . . ?
C13 C12 C17 O3 179.0(7) . . . . ?
C13 C12 C17 C16 -1.7(11) . . . . ?
C13 C14 C15 C16 -1.1(13) . . . . ?
C14 C15 C16 C17 -0.9(13) . . . . ?
C15 C16 C17 O3 -178.3(8) . . . . ?
C15 C16 C17 C12 2.3(13) . . . . ?
C17 C12 C13 C14 -0.3(10) . . . . ?
C19 N6 C18 O8 -0.4(11) . . . . ?
C20 N6 C18 O8 -178.1(7) . . . . ?
C22 N5 C21 O7 -1.5(14) . . . . ?
C23 N5 C21 O7 177.6(9) . . . . ?
C24 N7 C26 O9 -177.8(18) . . . . ?
C25 N7 C26 O9 -5(3) . . . . ?
C27 N8 C28 O10 -18(2) . . . . ?
C29 N8 C28 O10 162.2(14) . . . . ?
