#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:57:47 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268721 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/76/7707665.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_7707665
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         'C34 H23 Dy N6 O6, C H4 O'
_chemical_formula_sum            'C35 H27 Dy N6 O7'
_chemical_formula_weight         806.12
_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                 109.36
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.720(2)
_cell_length_b                   21.310(4)
_cell_length_c                   12.720(2)
_cell_measurement_reflns_used    7085
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      2.56
_cell_volume                     3253.0(9)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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 0.999
_diffrn_measured_fraction_theta_max 0.994
_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  0.0467
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17598
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.107
_diffrn_reflns_theta_min         1.911
_diffrn_source_current           35.0
_diffrn_source_power             1.575
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    2.357
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.327
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         6420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0354P)²+2.7939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0853
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4855
_reflns_number_total             6420
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01525g2.cif
_cod_data_source_block           1dy
_cod_depositor_comments
'Adding full bibliography for 7707665--7707669.cif.'
_cod_original_cell_volume        3252.8(9)
_cod_database_code               7707665
_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, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N3(H3A), C2(H2), C3(H3B), C4(H4), C7(H7), C8(H8), C10(H10), C13(H13),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C24(H24), C25(H25),
  C27(H27), C30(H30), C31(H31), C32(H32), C33(H33)
2.b Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C)
2.c Idealised tetrahedral OH refined as rotating group:
 O3(H3), O6(H6), O7(H7A)
;
_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 0.34154(2) 0.41491(2) 0.73476(2) 0.02040(8) Uani 1 1 d . . . . .
O1 O 0.1846(3) 0.36736(15) 0.7446(2) 0.0254(7) Uani 1 1 d . . . . .
O2 O 0.4841(3) 0.48909(15) 0.7372(2) 0.0267(7) Uani 1 1 d . . . . .
O3 O 0.7006(3) 0.48382(15) 0.5546(3) 0.0297(8) Uani 1 1 d . . . . .
H3 H 0.725785 0.495025 0.505990 0.044 Uiso 1 1 calc R U . . .
O4 O 0.2306(3) 0.48405(15) 0.6000(2) 0.0267(7) Uani 1 1 d . . . . .
O5 O 0.4719(3) 0.34087(15) 0.8279(2) 0.0279(8) Uani 1 1 d . . . . .
O6 O 0.6098(3) 0.31892(19) 1.1750(3) 0.0445(10) Uani 1 1 d . . . . .
H6 H 0.572054 0.348058 1.140015 0.067 Uiso 1 1 calc R U . . .
O7 O 1.0448(7) 0.4130(3) 0.8595(6) 0.124(3) Uani 1 1 d . . . . .
H7A H 1.081671 0.406587 0.818514 0.186 Uiso 1 1 calc R U . . .
N1 N 0.2847(3) 0.32605(17) 0.6052(3) 0.0204(8) Uani 1 1 d . . . . .
N2 N 0.4506(3) 0.39519(17) 0.6033(3) 0.0217(8) Uani 1 1 d . . . . .
N3 N 0.5334(3) 0.43721(18) 0.6068(3) 0.0234(9) Uani 1 1 d . . . . .
H3A H 0.575657 0.432545 0.566747 0.028 Uiso 1 1 calc R U . . .
N4 N 0.2738(3) 0.50347(18) 0.8153(3) 0.0231(9) Uani 1 1 d . . . . .
N5 N 0.4116(3) 0.42199(17) 0.9405(3) 0.0230(9) Uani 1 1 d . . . . .
N6 N 0.4878(3) 0.37866(19) 1.0019(3) 0.0268(9) Uani 1 1 d . . . . .
C1 C 0.1353(4) 0.3207(2) 0.6781(4) 0.0236(10) Uani 1 1 d . . . . .
C2 C 0.0339(4) 0.2940(2) 0.6713(4) 0.0293(11) Uani 1 1 d . . . . .
H2 H -0.004130 0.308467 0.717606 0.035 Uiso 1 1 calc R U . . .
C3 C -0.0122(4) 0.2453(2) 0.5958(4) 0.0335(12) Uani 1 1 d . . . . .
H3B H -0.081407 0.229251 0.591716 0.040 Uiso 1 1 calc R U . . .
C4 C 0.0414(4) 0.2206(2) 0.5278(4) 0.0317(12) Uani 1 1 d . . . . .
H4 H 0.009488 0.187620 0.480058 0.038 Uiso 1 1 calc R U . . .
C5 C 0.1443(4) 0.2452(2) 0.5304(4) 0.0258(11) Uani 1 1 d . . . . .
C6 C 0.1900(4) 0.2965(2) 0.6039(3) 0.0217(10) Uani 1 1 d . . . . .
C7 C 0.2078(4) 0.2251(2) 0.4630(4) 0.0291(11) Uani 1 1 d . . . . .
H7 H 0.183535 0.190872 0.415823 0.035 Uiso 1 1 calc R U . . .
C8 C 0.3033(4) 0.2552(2) 0.4667(4) 0.0276(11) Uani 1 1 d . . . . .
H8 H 0.344423 0.241586 0.422715 0.033 Uiso 1 1 calc R U . . .
C9 C 0.3392(4) 0.3075(2) 0.5383(4) 0.0240(10) Uani 1 1 d . . . . .
C10 C 0.4340(4) 0.3469(2) 0.5404(4) 0.0253(11) Uani 1 1 d . . . . .
H10 H 0.479504 0.337462 0.498458 0.030 Uiso 1 1 calc R U . . .
C11 C 0.5446(4) 0.4865(2) 0.6770(3) 0.0225(10) Uani 1 1 d . . . . .
C12 C 0.6262(4) 0.5351(2) 0.6804(4) 0.0267(11) Uani 1 1 d . . . . .
C13 C 0.6252(5) 0.5888(2) 0.7438(4) 0.0337(12) Uani 1 1 d . . . . .
H13 H 0.570005 0.593287 0.776295 0.040 Uiso 1 1 calc R U . . .
C14 C 0.7052(5) 0.6353(3) 0.7590(4) 0.0458(15) Uani 1 1 d . . . . .
H14 H 0.703764 0.670653 0.801342 0.055 Uiso 1 1 calc R U . . .
C15 C 0.7874(5) 0.6285(3) 0.7105(4) 0.0397(14) Uani 1 1 d . . . . .
H15 H 0.843486 0.658476 0.723452 0.048 Uiso 1 1 calc R U . . .
C16 C 0.7865(4) 0.5780(2) 0.6435(4) 0.0335(12) Uani 1 1 d . . . . .
H16 H 0.841357 0.574447 0.610435 0.040 Uiso 1 1 calc R U . . .
C17 C 0.7049(4) 0.5321(2) 0.6244(4) 0.0255(11) Uani 1 1 d . . . . .
C18 C 0.1775(4) 0.5322(2) 0.6289(4) 0.0244(10) Uani 1 1 d . . . . .
C19 C 0.1025(4) 0.5707(2) 0.5553(4) 0.0303(12) Uani 1 1 d . . . . .
H19 H 0.083234 0.563261 0.479225 0.036 Uiso 1 1 calc R U . . .
C20 C 0.0540(4) 0.6215(2) 0.5932(4) 0.0337(12) Uani 1 1 d . . . . .
H20 H 0.004588 0.647565 0.541219 0.040 Uiso 1 1 calc R U . . .
C21 C 0.0775(4) 0.6337(3) 0.7041(4) 0.0343(12) Uani 1 1 d . . . . .
H21 H 0.045208 0.667849 0.727134 0.041 Uiso 1 1 calc R U . . .
C22 C 0.1514(4) 0.5938(2) 0.7835(4) 0.0282(11) Uani 1 1 d . . . . .
C23 C 0.2007(4) 0.5438(2) 0.7449(4) 0.0251(11) Uani 1 1 d . . . . .
C24 C 0.1808(5) 0.6008(2) 0.8997(4) 0.0386(14) Uani 1 1 d . . . . .
H24 H 0.149855 0.633189 0.928795 0.046 Uiso 1 1 calc R U . . .
C25 C 0.2543(5) 0.5605(2) 0.9695(4) 0.0376(13) Uani 1 1 d . . . . .
H25 H 0.273609 0.565212 1.046324 0.045 Uiso 1 1 calc R U . . .
C26 C 0.3005(4) 0.5121(2) 0.9251(4) 0.0259(11) Uani 1 1 d . . . . .
C27 C 0.3807(4) 0.4666(2) 0.9918(4) 0.0282(11) Uani 1 1 d . . . . .
H27 H 0.408639 0.469775 1.069078 0.034 Uiso 1 1 calc R U . . .
C28 C 0.5125(4) 0.3382(2) 0.9341(4) 0.0254(11) Uani 1 1 d . . . . .
C29 C 0.5885(4) 0.2864(2) 0.9878(4) 0.0265(11) Uani 1 1 d . . . . .
C30 C 0.6160(4) 0.2417(2) 0.9208(4) 0.0315(12) Uani 1 1 d . . . . .
H30 H 0.587528 0.246180 0.843779 0.038 Uiso 1 1 calc R U . . .
C31 C 0.6844(4) 0.1906(2) 0.9654(4) 0.0362(13) Uani 1 1 d . . . . .
H31 H 0.702154 0.161467 0.919413 0.043 Uiso 1 1 calc R U . . .
C32 C 0.7251(4) 0.1845(3) 1.0793(5) 0.0390(13) Uani 1 1 d . . . . .
H32 H 0.770234 0.150367 1.110566 0.047 Uiso 1 1 calc R U . . .
C33 C 0.7007(4) 0.2274(3) 1.1478(4) 0.0375(13) Uani 1 1 d . . . . .
H33 H 0.730071 0.222330 1.224673 0.045 Uiso 1 1 calc R U . . .
C34 C 0.6322(4) 0.2787(2) 1.1037(4) 0.0313(12) Uani 1 1 d . . . . .
C35 C 0.9694(8) 0.4550(4) 0.8148(9) 0.123(4) Uani 1 1 d . . . . .
H35A H 0.986290 0.492736 0.858394 0.184 Uiso 1 1 calc R U . . .
H35B H 0.897778 0.439540 0.812521 0.184 Uiso 1 1 calc R U . . .
H35C H 0.968296 0.463771 0.740417 0.184 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 O2 164.76(11) . . ?
O1 Dy1 O4 89.65(11) . . ?
O1 Dy1 O5 99.26(11) . . ?
O1 Dy1 N1 68.03(11) . . ?
O1 Dy1 N2 130.02(11) . . ?
O1 Dy1 N4 83.27(12) . . ?
O1 Dy1 N5 89.07(11) . . ?
O2 Dy1 N1 124.74(11) . . ?
O2 Dy1 N2 62.70(11) . . ?
O2 Dy1 N4 81.69(11) . . ?
O2 Dy1 N5 86.58(11) . . ?
O4 Dy1 O2 82.21(11) . . ?
O4 Dy1 N1 91.25(11) . . ?
O4 Dy1 N2 87.15(11) . . ?
O4 Dy1 N4 67.02(11) . . ?
O4 Dy1 N5 130.81(11) . . ?
O5 Dy1 O2 91.86(12) . . ?
O5 Dy1 O4 163.66(10) . . ?
O5 Dy1 N1 79.59(11) . . ?
O5 Dy1 N2 76.62(11) . . ?
O5 Dy1 N4 127.37(11) . . ?
O5 Dy1 N5 63.49(11) . . ?
N1 Dy1 N2 62.20(12) . . ?
N1 Dy1 N5 132.81(12) . . ?
N4 Dy1 N1 144.34(12) . . ?
N4 Dy1 N2 138.79(12) . . ?
N4 Dy1 N5 64.00(12) . . ?
N5 Dy1 N2 128.58(12) . . ?
C1 O1 Dy1 122.5(3) . . ?
C11 O2 Dy1 125.2(3) . . ?
C17 O3 H3 109.5 . . ?
C18 O4 Dy1 121.0(3) . . ?
C28 O5 Dy1 122.9(3) . . ?
C34 O6 H6 109.5 . . ?
C35 O7 H7A 109.5 . . ?
C6 N1 Dy1 115.4(3) . . ?
C9 N1 Dy1 124.2(3) . . ?
C9 N1 C6 120.4(4) . . ?
N3 N2 Dy1 116.9(2) . . ?
C10 N2 Dy1 122.3(3) . . ?
C10 N2 N3 120.7(4) . . ?
N2 N3 H3A 122.0 . . ?
C11 N3 N2 116.0(4) . . ?
C11 N3 H3A 122.0 . . ?
C23 N4 Dy1 118.2(3) . . ?
C26 N4 Dy1 122.9(3) . . ?
C26 N4 C23 118.8(4) . . ?
N6 N5 Dy1 119.8(3) . . ?
C27 N5 Dy1 121.2(3) . . ?
C27 N5 N6 118.9(4) . . ?
C28 N6 N5 109.9(4) . . ?
O1 C1 C2 125.7(4) . . ?
O1 C1 C6 117.3(4) . . ?
C2 C1 C6 116.9(4) . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 121.0(4) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3B 118.9 . . ?
C4 C3 C2 122.2(5) . . ?
C4 C3 H3B 118.9 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.9(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 118.4(4) . . ?
C4 C5 C7 125.8(4) . . ?
C7 C5 C6 115.8(4) . . ?
N1 C6 C1 116.5(4) . . ?
N1 C6 C5 122.0(4) . . ?
C5 C6 C1 121.5(4) . . ?
C5 C7 H7 119.5 . . ?
C8 C7 C5 121.0(4) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.1(4) . . ?
C9 C8 H8 120.4 . . ?
N1 C9 C8 121.5(4) . . ?
N1 C9 C10 114.8(4) . . ?
C8 C9 C10 123.5(4) . . ?
N2 C10 C9 116.0(4) . . ?
N2 C10 H10 122.0 . . ?
C9 C10 H10 122.0 . . ?
O2 C11 N3 119.0(4) . . ?
O2 C11 C12 121.6(4) . . ?
N3 C11 C12 119.3(4) . . ?
C13 C12 C11 117.1(4) . . ?
C13 C12 C17 118.1(4) . . ?
C17 C12 C11 124.8(4) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(5) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.3 . . ?
C15 C14 C13 119.4(5) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(5) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 121.0(5) . . ?
C17 C16 H16 119.5 . . ?
O3 C17 C12 119.2(4) . . ?
O3 C17 C16 121.2(4) . . ?
C16 C17 C12 119.6(5) . . ?
O4 C18 C19 124.8(4) . . ?
O4 C18 C23 117.7(4) . . ?
C19 C18 C23 117.4(4) . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.9(4) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 119.1 . . ?
C21 C20 C19 121.9(5) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 H21 120.3 . . ?
C20 C21 C22 119.3(5) . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 118.3(4) . . ?
C23 C22 C24 117.0(4) . . ?
C24 C22 C21 124.7(5) . . ?
N4 C23 C18 115.5(4) . . ?
N4 C23 C22 122.4(4) . . ?
C22 C23 C18 122.0(4) . . ?
C22 C24 H24 119.8 . . ?
C25 C24 C22 120.3(5) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.3 . . ?
C24 C25 C26 119.5(5) . . ?
C26 C25 H25 120.3 . . ?
N4 C26 C25 122.0(4) . . ?
N4 C26 C27 113.8(4) . . ?
C25 C26 C27 124.2(4) . . ?
N5 C27 C26 117.9(4) . . ?
N5 C27 H27 121.0 . . ?
C26 C27 H27 121.0 . . ?
O5 C28 N6 123.9(4) . . ?
O5 C28 C29 119.8(4) . . ?
N6 C28 C29 116.3(4) . . ?
C30 C29 C28 119.0(4) . . ?
C30 C29 C34 117.9(4) . . ?
C34 C29 C28 123.1(4) . . ?
C29 C30 H30 118.8 . . ?
C31 C30 C29 122.3(5) . . ?
C31 C30 H30 118.8 . . ?
C30 C31 H31 121.0 . . ?
C32 C31 C30 118.0(5) . . ?
C32 C31 H31 121.0 . . ?
C31 C32 H32 119.2 . . ?
C33 C32 C31 121.5(5) . . ?
C33 C32 H32 119.2 . . ?
C32 C33 H33 119.6 . . ?
C32 C33 C34 120.7(5) . . ?
C34 C33 H33 119.6 . . ?
O6 C34 C29 122.3(4) . . ?
O6 C34 C33 118.2(4) . . ?
C33 C34 C29 119.5(5) . . ?
O7 C35 H35A 109.5 . . ?
O7 C35 H35B 109.5 . . ?
O7 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 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 O1 2.279(3) . ?
Dy1 O2 2.398(3) . ?
Dy1 O4 2.344(3) . ?
Dy1 O5 2.311(3) . ?
Dy1 N1 2.457(4) . ?
Dy1 N2 2.536(4) . ?
Dy1 N4 2.437(4) . ?
Dy1 N5 2.474(4) . ?
O1 C1 1.321(5) . ?
O2 C11 1.254(5) . ?
O3 H3 0.8200 . ?
O3 C17 1.349(5) . ?
O4 C18 1.344(5) . ?
O5 C28 1.277(5) . ?
O6 H6 0.8200 . ?
O6 C34 1.346(6) . ?
O7 H7A 0.8200 . ?
O7 C35 1.296(9) . ?
N1 C6 1.354(5) . ?
N1 C9 1.323(5) . ?
N2 N3 1.372(5) . ?
N2 C10 1.277(5) . ?
N3 H3A 0.8600 . ?
N3 C11 1.355(5) . ?
N4 C23 1.362(6) . ?
N4 C26 1.336(5) . ?
N5 N6 1.378(5) . ?
N5 C27 1.286(6) . ?
N6 C28 1.330(6) . ?
C1 C2 1.386(6) . ?
C1 C6 1.442(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.403(7) . ?
C3 H3B 0.9300 . ?
C3 C4 1.371(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.400(6) . ?
C5 C6 1.430(6) . ?
C5 C7 1.424(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.361(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.415(6) . ?
C9 C10 1.464(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.458(6) . ?
C12 C13 1.401(7) . ?
C12 C17 1.409(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.386(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.370(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.388(6) . ?
C18 C19 1.367(6) . ?
C18 C23 1.428(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.407(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.367(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.413(7) . ?
C22 C23 1.403(6) . ?
C22 C24 1.407(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.360(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.397(6) . ?
C26 C27 1.459(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.476(6) . ?
C29 C30 1.399(6) . ?
C29 C34 1.403(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.392(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.374(7) . ?
C32 H32 0.9300 . ?
C32 C33 1.369(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.393(7) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 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 -172.9(3) . . . . ?
Dy1 O1 C1 C6 5.4(5) . . . . ?
Dy1 O2 C11 N3 -2.5(6) . . . . ?
Dy1 O2 C11 C12 177.3(3) . . . . ?
Dy1 O4 C18 C19 -172.9(4) . . . . ?
Dy1 O4 C18 C23 6.8(5) . . . . ?
Dy1 O5 C28 N6 -2.7(6) . . . . ?
Dy1 O5 C28 C29 175.0(3) . . . . ?
Dy1 N1 C6 C1 -0.1(5) . . . . ?
Dy1 N1 C6 C5 178.0(3) . . . . ?
Dy1 N1 C9 C8 178.9(3) . . . . ?
Dy1 N1 C9 C10 -4.3(5) . . . . ?
Dy1 N2 N3 C11 -2.8(5) . . . . ?
Dy1 N2 C10 C9 7.2(5) . . . . ?
Dy1 N4 C23 C18 -4.5(5) . . . . ?
Dy1 N4 C23 C22 175.7(3) . . . . ?
Dy1 N4 C26 C25 -175.2(4) . . . . ?
Dy1 N4 C26 C27 4.6(6) . . . . ?
Dy1 N5 N6 C28 0.7(5) . . . . ?
Dy1 N5 C27 C26 1.7(6) . . . . ?
O1 C1 C2 C3 178.6(4) . . . . ?
O1 C1 C6 N1 -3.2(6) . . . . ?
O1 C1 C6 C5 178.6(4) . . . . ?
O2 C11 C12 C13 -7.5(7) . . . . ?
O2 C11 C12 C17 172.9(4) . . . . ?
O4 C18 C19 C20 -177.6(4) . . . . ?
O4 C18 C23 N4 -1.3(6) . . . . ?
O4 C18 C23 C22 178.5(4) . . . . ?
O5 C28 C29 C30 1.0(7) . . . . ?
O5 C28 C29 C34 -177.0(5) . . . . ?
N1 C9 C10 N2 -2.0(6) . . . . ?
N2 N3 C11 O2 3.5(6) . . . . ?
N2 N3 C11 C12 -176.3(4) . . . . ?
N3 N2 C10 C9 -176.4(4) . . . . ?
N3 C11 C12 C13 172.3(4) . . . . ?
N3 C11 C12 C17 -7.3(7) . . . . ?
N4 C26 C27 N5 -4.0(6) . . . . ?
N5 N6 C28 O5 1.2(6) . . . . ?
N5 N6 C28 C29 -176.6(4) . . . . ?
N6 N5 C27 C26 179.7(4) . . . . ?
N6 C28 C29 C30 178.8(4) . . . . ?
N6 C28 C29 C34 0.9(7) . . . . ?
C1 C2 C3 C4 2.0(7) . . . . ?
C2 C1 C6 N1 175.2(4) . . . . ?
C2 C1 C6 C5 -2.9(6) . . . . ?
C2 C3 C4 C5 -1.7(8) . . . . ?
C3 C4 C5 C6 -0.8(7) . . . . ?
C3 C4 C5 C7 -178.6(5) . . . . ?
C4 C5 C6 N1 -174.8(4) . . . . ?
C4 C5 C6 C1 3.2(6) . . . . ?
C4 C5 C7 C8 175.3(5) . . . . ?
C5 C7 C8 C9 -0.4(7) . . . . ?
C6 N1 C9 C8 -2.3(7) . . . . ?
C6 N1 C9 C10 174.5(4) . . . . ?
C6 C1 C2 C3 0.3(7) . . . . ?
C6 C5 C7 C8 -2.5(7) . . . . ?
C7 C5 C6 N1 3.1(6) . . . . ?
C7 C5 C6 C1 -178.8(4) . . . . ?
C7 C8 C9 N1 2.9(7) . . . . ?
C7 C8 C9 C10 -173.6(4) . . . . ?
C8 C9 C10 N2 174.7(4) . . . . ?
C9 N1 C6 C1 -178.9(4) . . . . ?
C9 N1 C6 C5 -0.8(6) . . . . ?
C10 N2 N3 C11 -179.4(4) . . . . ?
C11 C12 C13 C14 174.9(5) . . . . ?
C11 C12 C17 O3 5.8(7) . . . . ?
C11 C12 C17 C16 -172.9(4) . . . . ?
C12 C13 C14 C15 0.1(8) . . . . ?
C13 C12 C17 O3 -173.8(4) . . . . ?
C13 C12 C17 C16 7.5(7) . . . . ?
C13 C14 C15 C16 3.3(9) . . . . ?
C14 C15 C16 C17 -1.1(8) . . . . ?
C15 C16 C17 O3 176.9(5) . . . . ?
C15 C16 C17 C12 -4.3(7) . . . . ?
C17 C12 C13 C14 -5.4(7) . . . . ?
C18 C19 C20 C21 -1.5(8) . . . . ?
C19 C18 C23 N4 178.5(4) . . . . ?
C19 C18 C23 C22 -1.7(7) . . . . ?
C19 C20 C21 C22 -0.8(8) . . . . ?
C20 C21 C22 C23 1.8(7) . . . . ?
C20 C21 C22 C24 -179.0(5) . . . . ?
C21 C22 C23 N4 179.3(4) . . . . ?
C21 C22 C23 C18 -0.5(7) . . . . ?
C21 C22 C24 C25 -178.9(5) . . . . ?
C22 C24 C25 C26 0.1(9) . . . . ?
C23 N4 C26 C25 1.1(7) . . . . ?
C23 N4 C26 C27 -179.1(4) . . . . ?
C23 C18 C19 C20 2.7(7) . . . . ?
C23 C22 C24 C25 0.3(8) . . . . ?
C24 C22 C23 N4 0.0(7) . . . . ?
C24 C22 C23 C18 -179.8(5) . . . . ?
C24 C25 C26 N4 -0.8(8) . . . . ?
C24 C25 C26 C27 179.4(5) . . . . ?
C25 C26 C27 N5 175.8(5) . . . . ?
C26 N4 C23 C18 179.1(4) . . . . ?
C26 N4 C23 C22 -0.7(7) . . . . ?
C27 N5 N6 C28 -177.4(4) . . . . ?
C28 C29 C30 C31 -178.1(5) . . . . ?
C28 C29 C34 O6 -1.4(8) . . . . ?
C28 C29 C34 C33 178.0(5) . . . . ?
C29 C30 C31 C32 0.4(8) . . . . ?
C30 C29 C34 O6 -179.4(5) . . . . ?
C30 C29 C34 C33 0.0(7) . . . . ?
C30 C31 C32 C33 -0.8(8) . . . . ?
C31 C32 C33 C34 0.7(8) . . . . ?
C32 C33 C34 O6 179.1(5) . . . . ?
C32 C33 C34 C29 -0.3(8) . . . . ?
C34 C29 C30 C31 0.0(7) . . . . ?
