#------------------------------------------------------------------------------
#$Date: 2022-01-06 22:14:24 +0100 (jue 06 de ene de 2022) $
#$Revision: 271836 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/38/7243881.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_7243881
loop_
_publ_author_name
'Chen, Bo-Yi'
'Tsai, Min-Yem'
'Su, Yu-Chia'
'Lin, Po-Heng'
'Long, Jérôme'
_publ_section_title
;
 Synthesis, structures and magnetic properties of dysprosium(iii)
 complexes based on amino-bis(benzotriazole phenolate) and
 nitrophenolates: influence over the slow relaxation of the magnetization
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              8343
_journal_page_last               8350
_journal_paper_doi               10.1039/D1CE00909E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C40 H43 Dy N10 O9'
_chemical_formula_sum            'C40 H43 Dy N10 O9'
_chemical_formula_weight         970.34
_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   mixed
_audit_creation_date             2021-10-06
_audit_creation_method
;
Olex2 1.2-ac3
(compiled 2017.02.24 svn.r3390 for Rigaku Oxford Diffraction, GUI svn.r5318)
;
_audit_update_record
;
2021-10-06 deposited with the CCDC.	2021-10-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.811(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8504(4)
_cell_length_b                   9.1104(3)
_cell_length_c                   37.8203(11)
_cell_measurement_reflns_used    8894
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.66
_cell_measurement_theta_min      2.54
_cell_volume                     4045.3(2)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            19708
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.767
_exptl_absorpt_coefficient_mu    1.916
_exptl_absorpt_correction_T_max  0.537
_exptl_absorpt_correction_T_min  0.531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0653 before and 0.0509 after correction.
The Ratio of minimum to maximum transmission is 0.8591.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1964
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.33
_refine_diff_density_max         1.148
_refine_diff_density_min         -2.026
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         7113
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0117P)²+4.3586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0671
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6314
_reflns_number_total             7113
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00909e2.cif
_cod_data_source_block           yt-cn-193
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7243878--7243881.cif.
;
_cod_database_code               7243881
_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 C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O9-H9
 0.85 with sigma of 0.01
 O8-H8
 0.85 with sigma of 0.01
 C40-H9
 1.870332 with sigma of 0.02
 Dy1-H9
 2.874792 with sigma of 0.02
 C39-H8
 1.891227 with sigma of 0.02
 Dy1-H8
 2.791812 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C17(H17A,H17B), C18(H18A,H18B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C10(H10), C12(H12), C35(H35), C38(H38), C29(H29), C28(H28),
 C30(H30), C25(H25), C37(H37), C23(H23), C31(H31), C24(H24), C22(H22)
3.c Idealised Me refined as rotating group:
 C39(H39A,H39B,H39C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C16(H16A,H16B,
 H16C), C15(H15A,H15B,H15C), C40(H40A,H40B,H40C)
;
_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 0.56122(2) 0.27072(2) 0.62268(2) 0.01467(6) Uani 1 1 d D . . . .
O2 O 0.6145(2) 0.4197(3) 0.58189(7) 0.0168(7) Uani 1 1 d . . . . .
O1 O 0.3779(2) 0.2498(3) 0.62248(6) 0.0184(6) Uani 1 1 d . . . . .
O9 O 0.4898(3) 0.5004(3) 0.63950(9) 0.0253(8) Uani 1 1 d D . . . .
H9 H 0.4187(12) 0.502(2) 0.6412(12) 0.038 Uiso 1 1 d DR . . . .
O4 O 0.4957(3) 0.0079(4) 0.64846(9) 0.0318(8) Uani 1 1 d . . . . .
O8 O 0.7369(2) 0.3798(3) 0.64489(7) 0.0228(7) Uani 1 1 d D . . . .
H8 H 0.759(2) 0.438(4) 0.6298(6) 0.034 Uiso 1 1 d DR . . . .
O3 O 0.5771(2) 0.2423(4) 0.68364(7) 0.0263(7) Uani 1 1 d . . . . .
N7 N 0.8068(3) 0.5784(4) 0.56062(9) 0.0179(8) Uani 1 1 d . . . . .
N4 N 0.4884(3) 0.1459(4) 0.56133(8) 0.0143(8) Uani 1 1 d . . . . .
N6 N 0.8325(3) 0.5544(4) 0.59597(9) 0.0205(8) Uani 1 1 d . . . . .
N2 N 0.1833(3) 0.3808(4) 0.64055(9) 0.0181(8) Uani 1 1 d . . . . .
N9 N 0.4132(3) 0.0063(4) 0.66565(10) 0.0260(9) Uani 1 1 d . . . . .
N1 N 0.2618(3) 0.4819(4) 0.65194(9) 0.0190(8) Uani 1 1 d . . . . .
O5 O 0.3349(3) -0.0805(4) 0.65873(9) 0.0436(10) Uani 1 1 d . . . . .
N5 N 0.7001(3) 0.0647(4) 0.60981(9) 0.0216(9) Uani 1 1 d . . . . .
N8 N 0.8648(3) 0.6854(4) 0.54713(9) 0.0252(9) Uani 1 1 d . . . . .
C14 C 0.6367(4) 0.4166(4) 0.54867(10) 0.0155(9) Uani 1 1 d . . . . .
N3 N 0.1073(3) 0.3488(4) 0.66226(9) 0.0228(9) Uani 1 1 d . . . . .
C6 C 0.2782(4) 0.1547(4) 0.56863(10) 0.0148(9) Uani 1 1 d . . . . .
C7 C 0.3801(4) 0.0636(4) 0.56283(11) 0.0192(10) Uani 1 1 d . . . . .
H7A H 0.393316 -0.008051 0.581923 0.023 Uiso 1 1 calc R . . . .
H7B H 0.361733 0.009836 0.540651 0.023 Uiso 1 1 calc R . . . .
C3 C 0.0824(4) 0.2997(5) 0.58330(10) 0.0197(10) Uani 1 1 d . . . . .
H3 H 0.017071 0.346042 0.588844 0.024 Uiso 1 1 calc R . . . .
C5 C 0.1785(4) 0.1522(5) 0.54492(10) 0.0196(10) Uani 1 1 d . . . . .
H5 H 0.177660 0.100272 0.523716 0.024 Uiso 1 1 calc R . . . .
C2 C 0.1827(4) 0.3065(4) 0.60697(10) 0.0171(10) Uani 1 1 d . . . . .
C34 C 0.4110(4) 0.1091(5) 0.69481(11) 0.0204(10) Uani 1 1 d . . . . .
C9 C 0.5658(4) 0.3358(5) 0.52251(10) 0.0167(9) Uani 1 1 d . . . . .
C1 C 0.2834(3) 0.2391(5) 0.60036(10) 0.0168(9) Uani 1 1 d . . . . .
C8 C 0.4628(3) 0.2611(5) 0.53289(10) 0.0182(9) Uani 1 1 d . . . . .
H8A H 0.421210 0.215762 0.511836 0.022 Uiso 1 1 calc R . . . .
H8B H 0.413591 0.334713 0.541291 0.022 Uiso 1 1 calc R . . . .
C10 C 0.5897(4) 0.3297(5) 0.48757(10) 0.0195(10) Uani 1 1 d . . . . .
H10 H 0.540595 0.277471 0.470849 0.023 Uiso 1 1 calc R . . . .
C12 C 0.7524(4) 0.4805(5) 0.50173(11) 0.0193(10) Uani 1 1 d . . . . .
H12 H 0.814697 0.530340 0.495067 0.023 Uiso 1 1 calc R . . . .
C13 C 0.7301(4) 0.4899(4) 0.53696(10) 0.0170(9) Uani 1 1 d . . . . .
C17 C 0.5751(4) 0.0419(5) 0.55188(11) 0.0203(10) Uani 1 1 d . . . . .
H17A H 0.630362 0.095066 0.540105 0.024 Uiso 1 1 calc R . . . .
H17B H 0.538563 -0.029817 0.535142 0.024 Uiso 1 1 calc R . . . .
C11 C 0.6839(4) 0.3985(5) 0.47647(11) 0.0210(10) Uani 1 1 d . . . . .
C32 C 0.9142(4) 0.6553(5) 0.60596(11) 0.0201(10) Uani 1 1 d . . . . .
C33 C 0.4962(4) 0.2181(5) 0.70206(10) 0.0215(10) Uani 1 1 d . . . . .
C39 C 0.8170(4) 0.3775(6) 0.67624(12) 0.0416(15) Uani 1 1 d D . . . .
H39A H 0.887586 0.337324 0.670896 0.062 Uiso 1 1 calc GR . . . .
H39B H 0.788271 0.317972 0.693979 0.062 Uiso 1 1 calc GR . . . .
H39C H 0.829312 0.475709 0.685138 0.062 Uiso 1 1 calc GR . . . .
O7 O 0.2255(3) 0.2405(5) 0.79185(9) 0.0598(12) Uani 1 1 d . . . . .
C26 C 0.2347(4) 0.5196(5) 0.68426(11) 0.0216(10) Uani 1 1 d . . . . .
C4 C 0.0795(3) 0.2235(5) 0.55124(10) 0.0200(9) Uani 1 1 d . . . . .
C35 C 0.3213(4) 0.0947(5) 0.71475(12) 0.0267(11) Uani 1 1 d . . . . .
H35 H 0.265369 0.024016 0.708811 0.032 Uiso 1 1 calc R . . . .
C19 C 0.7480(4) -0.0179(5) 0.64221(12) 0.0330(12) Uani 1 1 d . . . . .
H19A H 0.788414 0.048239 0.659176 0.050 Uiso 1 1 calc GR . . . .
H19B H 0.799220 -0.091953 0.635835 0.050 Uiso 1 1 calc GR . . . .
H19C H 0.687206 -0.063602 0.652569 0.050 Uiso 1 1 calc GR . . . .
C20 C 0.7982(4) 0.1288(5) 0.59389(13) 0.0297(12) Uani 1 1 d . . . . .
H20A H 0.769942 0.191655 0.574308 0.045 Uiso 1 1 calc GR . . . .
H20B H 0.842337 0.051004 0.585464 0.045 Uiso 1 1 calc GR . . . .
H20C H 0.845329 0.184638 0.611689 0.045 Uiso 1 1 calc GR . . . .
C27 C 0.9346(4) 0.7355(5) 0.57584(11) 0.0227(10) Uani 1 1 d . . . . .
N10 N 0.2215(4) 0.1707(6) 0.76381(12) 0.0474(13) Uani 1 1 d . . . . .
O6 O 0.1424(3) 0.0913(6) 0.75163(11) 0.0639(14) Uani 1 1 d . . . . .
C18 C 0.6370(4) -0.0379(5) 0.58430(11) 0.0243(11) Uani 1 1 d . . . . .
H18A H 0.581952 -0.091360 0.596122 0.029 Uiso 1 1 calc R . . . .
H18B H 0.689628 -0.108534 0.576488 0.029 Uiso 1 1 calc R . . . .
C38 C 0.4853(4) 0.3085(5) 0.73247(11) 0.0278(11) Uani 1 1 d . . . . .
H38 H 0.539703 0.380741 0.738848 0.033 Uiso 1 1 calc R . . . .
C21 C 0.1393(4) 0.4374(5) 0.69055(11) 0.0246(11) Uani 1 1 d . . . . .
C16 C 0.7090(4) 0.3849(5) 0.43854(11) 0.0321(12) Uani 1 1 d . . . . .
H16A H 0.711522 0.283023 0.432211 0.048 Uiso 1 1 calc GR . . . .
H16B H 0.781100 0.429785 0.436520 0.048 Uiso 1 1 calc GR . . . .
H16C H 0.650232 0.433238 0.422759 0.048 Uiso 1 1 calc GR . . . .
C15 C -0.0265(4) 0.2204(6) 0.52415(11) 0.0297(11) Uani 1 1 d . . . . .
H15A H -0.087175 0.269941 0.533677 0.045 Uiso 1 1 calc GR . . . .
H15B H -0.048004 0.120429 0.518817 0.045 Uiso 1 1 calc GR . . . .
H15C H -0.011577 0.268903 0.502730 0.045 Uiso 1 1 calc GR . . . .
C36 C 0.3165(4) 0.1859(6) 0.74320(11) 0.0293(12) Uani 1 1 d . . . . .
C29 C 1.0744(4) 0.8763(5) 0.61114(13) 0.0307(12) Uani 1 1 d . . . . .
H29 H 1.129464 0.949621 0.613624 0.037 Uiso 1 1 calc R . . . .
C28 C 1.0167(4) 0.8491(5) 0.57846(12) 0.0288(11) Uani 1 1 d . . . . .
H28 H 1.030488 0.902682 0.558555 0.035 Uiso 1 1 calc R . . . .
C30 C 1.0533(4) 0.7963(5) 0.64185(13) 0.0321(12) Uani 1 1 d . . . . .
H30 H 1.094934 0.818898 0.663818 0.039 Uiso 1 1 calc R . . . .
C40 C 0.5353(5) 0.6409(6) 0.64404(17) 0.0537(17) Uani 1 1 d D . . . .
H40A H 0.599858 0.649259 0.631353 0.080 Uiso 1 1 calc GR . . . .
H40B H 0.558756 0.658788 0.668974 0.080 Uiso 1 1 calc GR . . . .
H40C H 0.478652 0.711652 0.634942 0.080 Uiso 1 1 calc GR . . . .
C25 C 0.2853(4) 0.6215(6) 0.70924(12) 0.0314(12) Uani 1 1 d . . . . .
H25 H 0.348162 0.676365 0.704891 0.038 Uiso 1 1 calc R . . . .
C37 C 0.3984(4) 0.2928(6) 0.75240(11) 0.0307(12) Uani 1 1 d . . . . .
H37 H 0.394118 0.353365 0.771982 0.037 Uiso 1 1 calc R . . . .
C23 C 0.1426(5) 0.5543(7) 0.74620(13) 0.0436(15) Uani 1 1 d . . . . .
H23 H 0.112637 0.568867 0.767424 0.052 Uiso 1 1 calc R . . . .
C31 C 0.9742(4) 0.6878(5) 0.64002(12) 0.0283(11) Uani 1 1 d . . . . .
H31 H 0.960031 0.636945 0.660283 0.034 Uiso 1 1 calc R . . . .
C24 C 0.2394(4) 0.6376(6) 0.74013(12) 0.0385(14) Uani 1 1 d . . . . .
H24 H 0.271599 0.703635 0.757356 0.046 Uiso 1 1 calc R . . . .
C22 C 0.0917(4) 0.4549(6) 0.72273(11) 0.0359(14) Uani 1 1 d . . . . .
H22 H 0.028861 0.400925 0.727428 0.043 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'
Dy Dy -0.1892 4.4098 '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'
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
O2 Dy1 O9 78.00(10) . . ?
O2 Dy1 O4 155.17(10) . . ?
O2 Dy1 O8 70.57(10) . . ?
O2 Dy1 O3 140.88(11) . . ?
O2 Dy1 N4 74.92(10) . . ?
O2 Dy1 N5 93.71(11) . . ?
O1 Dy1 O2 115.50(10) . . ?
O1 Dy1 O9 71.75(11) . . ?
O1 Dy1 O4 66.05(10) . . ?
O1 Dy1 O8 150.47(10) . . ?
O1 Dy1 O3 86.51(9) . . ?
O1 Dy1 N4 75.58(10) . . ?
O1 Dy1 N5 126.55(11) . . ?
O9 Dy1 O4 123.12(9) . . ?
O9 Dy1 N4 122.17(11) . . ?
O9 Dy1 N5 161.55(12) . . ?
O8 Dy1 O9 82.13(11) . . ?
O8 Dy1 O4 121.43(10) . . ?
O8 Dy1 N4 131.82(10) . . ?
O8 Dy1 N5 79.56(12) . . ?
O3 Dy1 O9 79.30(12) . . ?
O3 Dy1 O4 62.18(11) . . ?
O3 Dy1 O8 75.09(10) . . ?
O3 Dy1 N4 144.05(11) . . ?
O3 Dy1 N5 98.02(11) . . ?
N4 Dy1 O4 81.99(10) . . ?
N5 Dy1 O4 69.55(11) . . ?
N5 Dy1 N4 70.12(11) . . ?
C14 O2 Dy1 139.9(3) . . ?
C1 O1 Dy1 140.9(2) . . ?
C40 O9 Dy1 134.2(3) . . ?
N9 O4 Dy1 118.5(3) . . ?
C39 O8 Dy1 138.8(3) . . ?
C33 O3 Dy1 126.9(2) . . ?
N6 N7 C13 124.5(3) . . ?
N8 N7 N6 116.0(3) . . ?
N8 N7 C13 119.2(3) . . ?
C7 N4 Dy1 111.4(2) . . ?
C7 N4 C8 106.7(3) . . ?
C8 N4 Dy1 109.9(2) . . ?
C17 N4 Dy1 109.6(2) . . ?
C17 N4 C7 108.5(3) . . ?
C17 N4 C8 110.7(3) . . ?
N7 N6 C32 102.9(3) . . ?
N1 N2 C2 121.9(3) . . ?
N3 N2 N1 116.8(3) . . ?
N3 N2 C2 121.3(3) . . ?
O4 N9 C34 119.1(4) . . ?
O5 N9 O4 121.6(4) . . ?
O5 N9 C34 119.3(4) . . ?
N2 N1 C26 103.1(3) . . ?
C19 N5 Dy1 113.3(3) . . ?
C19 N5 C20 107.4(4) . . ?
C20 N5 Dy1 110.0(3) . . ?
C18 N5 Dy1 107.7(3) . . ?
C18 N5 C19 108.8(4) . . ?
C18 N5 C20 109.7(3) . . ?
N7 N8 C27 103.3(3) . . ?
O2 C14 C9 120.1(4) . . ?
O2 C14 C13 123.7(4) . . ?
C13 C14 C9 116.3(3) . . ?
N2 N3 C21 102.5(4) . . ?
C5 C6 C7 121.9(4) . . ?
C5 C6 C1 119.5(4) . . ?
C1 C6 C7 118.6(4) . . ?
N4 C7 C6 116.0(3) . . ?
C2 C3 C4 120.0(4) . . ?
C6 C5 C4 123.2(4) . . ?
C3 C2 N2 119.4(4) . . ?
C3 C2 C1 122.9(4) . . ?
C1 C2 N2 117.7(4) . . ?
C33 C34 N9 120.9(4) . . ?
C35 C34 N9 116.5(4) . . ?
C35 C34 C33 122.5(4) . . ?
C14 C9 C8 118.8(3) . . ?
C10 C9 C14 120.5(4) . . ?
C10 C9 C8 120.7(4) . . ?
O1 C1 C6 121.1(4) . . ?
O1 C1 C2 122.1(3) . . ?
C2 C1 C6 116.8(4) . . ?
C9 C8 N4 114.4(3) . . ?
C9 C10 C11 122.9(4) . . ?
C11 C12 C13 121.5(4) . . ?
C14 C13 N7 121.8(3) . . ?
C12 C13 N7 116.4(4) . . ?
C12 C13 C14 121.8(4) . . ?
N4 C17 C18 112.7(3) . . ?
C10 C11 C16 121.3(4) . . ?
C12 C11 C10 116.9(4) . . ?
C12 C11 C16 121.8(4) . . ?
N6 C32 C27 108.9(4) . . ?
N6 C32 C31 130.5(4) . . ?
C27 C32 C31 120.6(4) . . ?
O3 C33 C34 125.7(4) . . ?
O3 C33 C38 119.6(4) . . ?
C34 C33 C38 114.7(4) . . ?
N1 C26 C21 108.3(4) . . ?
N1 C26 C25 130.4(4) . . ?
C25 C26 C21 121.4(4) . . ?
C3 C4 C15 121.3(4) . . ?
C5 C4 C3 117.4(4) . . ?
C5 C4 C15 121.2(4) . . ?
C36 C35 C34 119.2(5) . . ?
N8 C27 C32 108.8(4) . . ?
N8 C27 C28 130.0(4) . . ?
C32 C27 C28 121.2(4) . . ?
O7 N10 C36 117.9(5) . . ?
O6 N10 O7 124.6(5) . . ?
O6 N10 C36 117.5(5) . . ?
N5 C18 C17 111.7(4) . . ?
C37 C38 C33 122.7(4) . . ?
N3 C21 C26 109.3(4) . . ?
N3 C21 C22 130.1(5) . . ?
C26 C21 C22 120.6(4) . . ?
C35 C36 N10 118.7(5) . . ?
C35 C36 C37 121.5(4) . . ?
C37 C36 N10 119.8(4) . . ?
C28 C29 C30 122.0(5) . . ?
C29 C28 C27 117.1(4) . . ?
C31 C30 C29 121.9(4) . . ?
C24 C25 C26 117.8(5) . . ?
C38 C37 C36 119.4(4) . . ?
C22 C23 C24 123.3(4) . . ?
C30 C31 C32 117.2(4) . . ?
C25 C24 C23 120.5(5) . . ?
C23 C22 C21 116.5(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 O2 2.210(3) . ?
Dy1 O1 2.180(3) . ?
Dy1 O9 2.376(3) . ?
Dy1 O4 2.737(3) . ?
Dy1 O8 2.356(3) . ?
Dy1 O3 2.302(2) . ?
Dy1 N4 2.623(3) . ?
Dy1 N5 2.585(4) . ?
O2 C14 1.318(4) . ?
O1 C1 1.308(4) . ?
O9 C40 1.390(6) . ?
O4 N9 1.246(5) . ?
O8 C39 1.414(5) . ?
O3 C33 1.278(5) . ?
N7 N6 1.348(4) . ?
N7 N8 1.334(5) . ?
N7 C13 1.434(5) . ?
N4 C7 1.494(5) . ?
N4 C8 1.504(5) . ?
N4 C17 1.476(5) . ?
N6 C32 1.351(5) . ?
N2 N1 1.338(5) . ?
N2 N3 1.331(5) . ?
N2 C2 1.438(5) . ?
N9 O5 1.220(5) . ?
N9 C34 1.449(6) . ?
N1 C26 1.349(5) . ?
N5 C19 1.484(5) . ?
N5 C20 1.499(5) . ?
N5 C18 1.473(6) . ?
N8 C27 1.352(5) . ?
C14 C9 1.415(6) . ?
C14 C13 1.415(6) . ?
N3 C21 1.353(6) . ?
C6 C7 1.506(6) . ?
C6 C5 1.383(6) . ?
C6 C1 1.419(5) . ?
C3 C2 1.389(6) . ?
C3 C4 1.393(6) . ?
C5 C4 1.390(6) . ?
C2 C1 1.394(6) . ?
C34 C33 1.416(6) . ?
C34 C35 1.390(6) . ?
C9 C8 1.495(6) . ?
C9 C10 1.390(5) . ?
C10 C11 1.394(6) . ?
C12 C13 1.395(5) . ?
C12 C11 1.386(6) . ?
C17 C18 1.525(6) . ?
C11 C16 1.509(5) . ?
C32 C27 1.402(6) . ?
C32 C31 1.416(6) . ?
C33 C38 1.435(6) . ?
O7 N10 1.232(6) . ?
C26 C21 1.403(6) . ?
C26 C25 1.400(6) . ?
C4 C15 1.509(5) . ?
C35 C36 1.367(6) . ?
C27 C28 1.415(6) . ?
N10 O6 1.224(6) . ?
N10 C36 1.460(6) . ?
C38 C37 1.364(6) . ?
C21 C22 1.418(6) . ?
C36 C37 1.386(7) . ?
C29 C28 1.351(6) . ?
C29 C30 1.422(6) . ?
C30 C31 1.358(6) . ?
C25 C24 1.362(6) . ?
C23 C24 1.420(7) . ?
C23 C22 1.351(7) . ?
