#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:03:12 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258808 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/55/7705583.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_7705583
loop_
_publ_author_name
'Kong, Ming'
'Feng, Xin'
'Li, Jing'
'Hu, Zhao-Bo'
'Wang, Jia'
'Song, Xiao-Jiao'
'Jing, Zhao-Yang'
'Zhang, Yi-Quan'
'Song, You'
_publ_section_title
;
 Structurally modulated single-ion magnets of mononuclear β-diketone
 dysprosium(III) complexes.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14931
_journal_page_last               14940
_journal_paper_doi               10.1039/d0dt02864a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C59 H42 Dy F9 N4 O9 S3'
_chemical_formula_weight         1380.65
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-04-01 deposited with the CCDC.	2020-10-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.3810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6671(2)
_cell_length_b                   25.8281(6)
_cell_length_c                   20.6774(4)
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      51.60
_cell_measurement_theta_min      2.42
_cell_volume                     5564.4(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      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0762
_diffrn_reflns_av_sigmaI/netI    0.0742
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43760
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    1.548
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2764
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.848
_refine_diff_density_min         -1.513
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     776
_refine_ls_number_reflns         9794
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0889P)²+9.0487P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1698
_refine_ls_wR_factor_ref         0.1850
_reflns_number_gt                6161
_reflns_number_total             9794
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt02864a2.cif
_cod_data_source_block           m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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 7705582--7705586.cif.
;
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               7705583
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8899(12) 0.0277(4) 1.2294(5) 0.082(3) Uani 1 1 d . . .
H1 H 0.8795 0.0469 1.1894 0.098 Uiso 1 1 calc R . .
C2 C 1.0103(12) 0.0219(5) 1.2689(7) 0.102(4) Uani 1 1 d . . .
H2 H 1.0832 0.0363 1.2559 0.122 Uiso 1 1 calc R . .
C3 C 1.0248(13) -0.0059(5) 1.3298(6) 0.088(3) Uani 1 1 d . . .
H3 H 1.1079 -0.0103 1.3570 0.106 Uiso 1 1 calc R . .
C4 C 0.9250(13) -0.0253(4) 1.3485(5) 0.084(3) Uani 1 1 d . . .
H4 H 0.9382 -0.0434 1.3894 0.101 Uiso 1 1 calc R . .
C5 C 0.8005(10) -0.0207(3) 1.3113(4) 0.064(2) Uani 1 1 d . . .
C6 C 0.7785(10) 0.0049(3) 1.2482(4) 0.059(2) Uani 1 1 d . . .
C7 C 0.6554(9) 0.0093(3) 1.2098(4) 0.056(2) Uani 1 1 d . . .
C8 C 0.5513(10) -0.0098(4) 1.2344(4) 0.063(2) Uani 1 1 d . . .
C9 C 0.5714(11) -0.0319(3) 1.2996(5) 0.068(3) Uani 1 1 d . . .
C10 C 0.6970(11) -0.0386(3) 1.3345(4) 0.066(3) Uani 1 1 d . . .
H10 H 0.7118 -0.0561 1.3759 0.079 Uiso 1 1 calc R . .
C11 C 0.4703(14) -0.0467(4) 1.3269(6) 0.084(3) Uani 1 1 d . . .
H11 H 0.4864 -0.0599 1.3708 0.101 Uiso 1 1 calc R . .
C12 C 0.3492(15) -0.0427(4) 1.2923(7) 0.098(4) Uani 1 1 d . . .
H12 H 0.2809 -0.0531 1.3122 0.117 Uiso 1 1 calc R . .
C13 C 0.3205(12) -0.0231(4) 1.2261(6) 0.092(3) Uani 1 1 d . . .
H13 H 0.2345 -0.0210 1.2016 0.110 Uiso 1 1 calc R . .
C14 C 0.4214(11) -0.0075(4) 1.1993(5) 0.075(3) Uani 1 1 d . . .
H14 H 0.4035 0.0053 1.1552 0.090 Uiso 1 1 calc R . .
C15 C 0.6321(10) 0.0353(3) 1.1436(4) 0.062(2) Uani 1 1 d . . .
C16 C 0.6821(10) 0.0157(4) 1.0908(4) 0.066(2) Uani 1 1 d . . .
H16 H 0.7358 -0.0141 1.0976 0.079 Uiso 1 1 calc R . .
C17 C 0.6544(11) 0.0390(4) 1.0294(4) 0.073(3) Uani 1 1 d . . .
H17 H 0.6916 0.0261 0.9948 0.088 Uiso 1 1 calc R . .
C18 C 0.5730(10) 0.0808(4) 1.0182(4) 0.070(3) Uani 1 1 d . . .
C19 C 0.5257(11) 0.1016(4) 1.0701(4) 0.083(3) Uani 1 1 d . . .
H19 H 0.4752 0.1322 1.0633 0.100 Uiso 1 1 calc R . .
C20 C 0.5514(11) 0.0784(3) 1.1311(4) 0.075(3) Uani 1 1 d . . .
H20 H 0.5139 0.0917 1.1653 0.090 Uiso 1 1 calc R . .
C21 C 0.5258(12) 0.1035(3) 0.9516(4) 0.070(3) Uani 1 1 d . . .
C22 C 0.4020(10) 0.1277(3) 0.8619(4) 0.054(2) Uani 1 1 d . . .
C23 C 0.5214(10) 0.1322(3) 0.8513(4) 0.058(2) Uani 1 1 d . . .
C24 C 0.5505(9) 0.1503(3) 0.7899(4) 0.054(2) Uani 1 1 d . . .
C25 C 0.6714(10) 0.1578(3) 0.7771(4) 0.062(2) Uani 1 1 d . . .
H25 H 0.7462 0.1508 0.8102 0.075 Uiso 1 1 calc R . .
C26 C 0.6814(9) 0.1754(4) 0.7161(4) 0.062(2) Uani 1 1 d . . .
H26 H 0.7631 0.1823 0.7066 0.075 Uiso 1 1 calc R . .
C27 C 0.5703(10) 0.1831(3) 0.6685(4) 0.063(2) Uani 1 1 d . . .
H27 H 0.5794 0.1939 0.6258 0.075 Uiso 1 1 calc R . .
C28 C 0.4391(9) 0.1615(3) 0.7388(4) 0.055(2) Uani 1 1 d . . .
C29 C 0.3109(8) 0.1560(3) 0.7499(4) 0.049(2) Uani 1 1 d . . .
C30 C 0.2908(10) 0.1378(3) 0.8114(4) 0.061(2) Uani 1 1 d . . .
C31 C 0.1656(10) 0.1307(3) 0.8168(4) 0.065(3) Uani 1 1 d . . .
H31 H 0.1481 0.1184 0.8573 0.078 Uiso 1 1 calc R . .
C32 C 0.0688(10) 0.1407(3) 0.7659(5) 0.065(3) Uani 1 1 d . . .
H32 H -0.0174 0.1346 0.7694 0.078 Uiso 1 1 calc R . .
C33 C 0.0961(10) 0.1603(3) 0.7071(4) 0.062(2) Uani 1 1 d . . .
H33 H 0.0263 0.1681 0.6714 0.074 Uiso 1 1 calc R . .
C34 C -0.0324(9) 0.3166(4) 0.6725(4) 0.065(2) Uani 1 1 d . . .
C35 C 0.1039(8) 0.2988(3) 0.6676(4) 0.049(2) Uani 1 1 d . . .
C36 C 0.2059(9) 0.3212(4) 0.7051(4) 0.059(2) Uani 1 1 d . . .
H36 H 0.1931 0.3469 0.7359 0.071 Uiso 1 1 calc R . .
C37 C 0.3314(8) 0.3086(3) 0.7011(4) 0.050(2) Uani 1 1 d . . .
C38 C 0.4480(8) 0.3337(3) 0.7434(4) 0.054(2) Uani 1 1 d . . .
C39 C 0.4492(9) 0.3768(3) 0.7879(4) 0.055(2) Uani 1 1 d . . .
H39 H 0.3767 0.3941 0.7973 0.066 Uiso 1 1 calc R . .
C40 C 0.5813(11) 0.3882(4) 0.8150(4) 0.080(3) Uani 1 1 d . . .
H40 H 0.6076 0.4157 0.8454 0.096 Uiso 1 1 calc R . .
C41 C 0.6651(11) 0.3570(4) 0.7942(5) 0.076(3) Uani 1 1 d . . .
H41 H 0.7555 0.3600 0.8087 0.092 Uiso 1 1 calc R . .
C42 C 0.3303(9) 0.0856(5) 0.4501(5) 0.067(3) Uani 1 1 d . . .
C43 C 0.2495(8) 0.1123(3) 0.4941(4) 0.053(2) Uani 1 1 d . . .
C44 C 0.1190(8) 0.1035(3) 0.4810(4) 0.053(2) Uani 1 1 d . . .
H44 H 0.0828 0.0823 0.4442 0.064 Uiso 1 1 calc R . .
C45 C 0.0376(8) 0.1239(3) 0.5188(4) 0.053(2) Uani 1 1 d . . .
C46 C -0.0938(8) 0.1070(3) 0.5118(4) 0.054(2) Uani 1 1 d . . .
C47 C -0.1595(7) 0.0639(3) 0.4703(3) 0.0450(18) Uani 1 1 d U . .
H47 H -0.1239 0.0420 0.4419 0.054 Uiso 1 1 calc R . .
C48 C -0.2846(9) 0.0621(4) 0.4813(4) 0.070(3) Uani 1 1 d U . .
H48 H -0.3469 0.0382 0.4592 0.084 Uiso 1 1 calc R . .
C49 C -0.3108(9) 0.0972(5) 0.5263(5) 0.080(3) Uani 1 1 d . . .
H49 H -0.3921 0.0998 0.5379 0.096 Uiso 1 1 calc R . .
C50 C 0.0767(10) 0.2398(4) 0.3760(4) 0.062(2) Uani 1 1 d . . .
C51 C 0.1883(8) 0.2391(3) 0.4362(4) 0.050(2) Uani 1 1 d . . .
C52 C 0.3118(8) 0.2411(3) 0.4280(4) 0.054(2) Uani 1 1 d . . .
H52 H 0.3262 0.2401 0.3843 0.065 Uiso 1 1 calc R . .
C53 C 0.4198(8) 0.2444(3) 0.4817(4) 0.0476(19) Uani 1 1 d . . .
C54 C 0.5474(8) 0.2504(3) 0.4684(4) 0.052(2) Uani 1 1 d . . .
C55 C 0.5905(8) 0.2425(4) 0.4097(4) 0.058(2) Uani 1 1 d . . .
H55 H 0.5357 0.2338 0.3686 0.070 Uiso 1 1 calc R . .
C56 C 0.7213(9) 0.2490(4) 0.4183(5) 0.075(3) Uani 1 1 d . . .
H56 H 0.7670 0.2443 0.3840 0.090 Uiso 1 1 calc R . .
C57 C 0.7786(9) 0.2630(4) 0.4821(5) 0.073(3) Uani 1 1 d . . .
H57 H 0.8680 0.2692 0.4966 0.087 Uiso 1 1 calc R . .
C58 C 0.0413(16) 0.0379(8) 0.0927(8) 0.184(9) Uani 1 1 d . . .
H58A H 0.0803 0.0596 0.1305 0.276 Uiso 1 1 calc R . .
H58B H -0.0071 0.0097 0.1077 0.276 Uiso 1 1 calc R . .
H58C H -0.0168 0.0589 0.0599 0.276 Uiso 1 1 calc R . .
C59 C 0.1914(16) 0.1388(5) 0.0244(8) 0.138(6) Uani 1 1 d . . .
H59A H 0.2125 0.1303 0.0717 0.206 Uiso 1 1 calc R . .
H59B H 0.1038 0.1525 0.0126 0.206 Uiso 1 1 calc R . .
H59C H 0.2517 0.1648 0.0149 0.206 Uiso 1 1 calc R . .
Dy1 Dy 0.25518(4) 0.210738(17) 0.594564(18) 0.05530(17) Uani 1 1 d . . .
F1 F -0.0319(5) 0.3481(2) 0.7229(3) 0.0841(16) Uani 1 1 d . . .
F2 F -0.1030(6) 0.2756(2) 0.6823(3) 0.0856(17) Uani 1 1 d . . .
F3 F -0.0942(5) 0.3392(2) 0.6181(3) 0.0867(17) Uani 1 1 d . . .
F4 F 0.4031(6) 0.0490(2) 0.4844(4) 0.0968(19) Uani 1 1 d . . .
F5 F 0.4106(5) 0.1187(2) 0.4328(2) 0.0775(15) Uani 1 1 d . . .
F6 F 0.2630(6) 0.0667(4) 0.3956(3) 0.136(3) Uani 1 1 d . . .
F7 F 0.0059(6) 0.1973(2) 0.3744(3) 0.0870(17) Uani 1 1 d . . .
F8 F 0.0015(5) 0.2794(2) 0.3764(2) 0.0733(15) Uani 1 1 d . . .
F9 F 0.1165(5) 0.2419(2) 0.3181(2) 0.0743(15) Uani 1 1 d . . .
N1 N 0.6045(8) 0.1164(3) 0.9089(3) 0.067(2) Uani 1 1 d . . .
H1A H 0.6888 0.1148 0.9166 0.080 Uiso 1 1 calc R . .
N2 N 0.4029(9) 0.1103(3) 0.9250(3) 0.065(2) Uani 1 1 d . . .
N3 N 0.4527(7) 0.1767(2) 0.6776(3) 0.0462(16) Uani 1 1 d . . .
N4 N 0.2113(7) 0.1683(3) 0.6991(3) 0.0546(18) Uani 1 1 d . . .
O1 O 0.0988(5) 0.2641(2) 0.6215(3) 0.0555(14) Uani 1 1 d . . .
O2 O 0.3578(5) 0.2764(2) 0.6606(3) 0.0541(14) Uani 1 1 d . . .
O3 O 0.3149(5) 0.1391(2) 0.5391(2) 0.0517(14) Uani 1 1 d . . .
O4 O 0.0759(5) 0.1576(2) 0.5645(3) 0.0588(15) Uani 1 1 d . . .
O5 O 0.4112(5) 0.2438(2) 0.5418(2) 0.0527(14) Uani 1 1 d . . .
O6 O 0.1486(5) 0.2373(2) 0.4901(2) 0.0571(15) Uani 1 1 d . . .
O8 O 0.1377(11) 0.0170(4) 0.0641(6) 0.150(4) Uani 1 1 d D . .
H8 H 0.1070 -0.0070 0.0381 0.225 Uiso 1 1 calc RD . .
O9 O 0.2004(11) 0.0934(3) -0.0131(4) 0.127(3) Uani 1 1 d . . .
H9 H 0.1377 0.0740 -0.0121 0.190 Uiso 1 1 calc R . .
S2 S 0.5943(2) 0.31191(10) 0.73984(12) 0.0691(7) Uani 1 1 d . . .
S3 S -0.1883(3) 0.13458(12) 0.55836(13) 0.0791(8) Uani 1 1 d . . .
S4 S 0.6728(2) 0.26781(10) 0.53167(11) 0.0616(6) Uani 1 1 d . . .
O7 O 0.8704(11) 0.0920(4) 0.9199(5) 0.130(3) Uani 1 1 d D . .
H7B H 0.942(11) 0.071(6) 0.925(9) 0.195 Uiso 1 1 d D . .
H7A H 0.874(18) 0.1275(11) 0.923(9) 0.195 Uiso 1 1 d D . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C2 C1 C6 120.7(11) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C1 C2 C3 119.2(12) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 120.9(11) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 123.0(11) . . ?
C3 C4 H4 118.5 . . ?
C5 C4 H4 118.5 . . ?
C10 C5 C4 121.5(10) . . ?
C10 C5 C6 119.0(9) . . ?
C4 C5 C6 119.5(10) . . ?
C7 C6 C5 120.6(9) . . ?
C7 C6 C1 122.9(9) . . ?
C5 C6 C1 116.5(9) . . ?
C6 C7 C8 119.2(8) . . ?
C6 C7 C15 120.8(8) . . ?
C8 C7 C15 119.9(8) . . ?
C7 C8 C14 124.0(8) . . ?
C7 C8 C9 120.6(9) . . ?
C14 C8 C9 115.4(9) . . ?
C11 C9 C10 120.4(10) . . ?
C11 C9 C8 121.6(11) . . ?
C10 C9 C8 118.1(9) . . ?
C5 C10 C9 122.3(9) . . ?
C5 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C12 C11 C9 120.8(11) . . ?
C12 C11 H11 119.6 . . ?
C9 C11 H11 119.6 . . ?
C11 C12 C13 121.5(12) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C14 C13 C12 117.7(12) . . ?
C14 C13 H13 121.1 . . ?
C12 C13 H13 121.1 . . ?
C13 C14 C8 123.0(10) . . ?
C13 C14 H14 118.5 . . ?
C8 C14 H14 118.5 . . ?
C20 C15 C16 117.7(8) . . ?
C20 C15 C7 120.1(7) . . ?
C16 C15 C7 122.1(8) . . ?
C17 C16 C15 120.9(9) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C16 120.1(8) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 119.7(8) . . ?
C17 C18 C21 123.0(8) . . ?
C19 C18 C21 117.2(9) . . ?
C20 C19 C18 120.5(9) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C15 120.9(8) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
N2 C21 N1 112.8(8) . . ?
N2 C21 C18 123.2(9) . . ?
N1 C21 C18 123.8(11) . . ?
C23 C22 N2 111.6(8) . . ?
C23 C22 C30 122.2(7) . . ?
N2 C22 C30 126.1(9) . . ?
C22 C23 N1 106.8(7) . . ?
C22 C23 C24 124.1(8) . . ?
N1 C23 C24 129.1(9) . . ?
C25 C24 C28 119.1(7) . . ?
C25 C24 C23 126.6(8) . . ?
C28 C24 C23 114.3(8) . . ?
C26 C25 C24 118.9(8) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C25 C26 C27 118.7(9) . . ?
C25 C26 H26 120.6 . . ?
C27 C26 H26 120.6 . . ?
N3 C27 C26 125.2(8) . . ?
N3 C27 H27 117.4 . . ?
C26 C27 H27 117.4 . . ?
N3 C28 C24 120.3(8) . . ?
N3 C28 C29 118.0(7) . . ?
C24 C28 C29 121.6(7) . . ?
N4 C29 C30 121.8(8) . . ?
N4 C29 C28 117.7(7) . . ?
C30 C29 C28 120.5(8) . . ?
C31 C30 C29 117.0(9) . . ?
C31 C30 C22 125.9(8) . . ?
C29 C30 C22 117.2(9) . . ?
C32 C31 C30 120.8(8) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C31 C32 C33 118.9(9) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
N4 C33 C32 123.2(9) . . ?
N4 C33 H33 118.4 . . ?
C32 C33 H33 118.4 . . ?
F3 C34 F1 108.5(8) . . ?
F3 C34 F2 106.7(8) . . ?
F1 C34 F2 106.0(7) . . ?
F3 C34 C35 112.4(7) . . ?
F1 C34 C35 112.9(7) . . ?
F2 C34 C35 109.9(8) . . ?
O1 C35 C36 129.0(8) . . ?
O1 C35 C34 111.1(7) . . ?
C36 C35 C34 119.8(8) . . ?
C35 C36 C37 122.8(8) . . ?
C35 C36 H36 118.6 . . ?
C37 C36 H36 118.6 . . ?
O2 C37 C36 123.3(8) . . ?
O2 C37 C38 113.4(7) . . ?
C36 C37 C38 123.3(8) . . ?
C39 C38 C37 126.6(8) . . ?
C39 C38 S2 114.0(6) . . ?
C37 C38 S2 119.4(6) . . ?
C40 C39 C38 106.4(8) . . ?
C40 C39 H39 126.8 . . ?
C38 C39 H39 126.8 . . ?
C41 C40 C39 114.7(9) . . ?
C41 C40 H40 122.7 . . ?
C39 C40 H40 122.7 . . ?
C40 C41 S2 113.4(8) . . ?
C40 C41 H41 123.3 . . ?
S2 C41 H41 123.3 . . ?
F6 C42 F5 106.3(8) . . ?
F6 C42 F4 110.3(10) . . ?
F5 C42 F4 105.5(8) . . ?
F6 C42 C43 113.9(8) . . ?
F5 C42 C43 110.5(8) . . ?
F4 C42 C43 109.9(8) . . ?
O3 C43 C44 128.2(7) . . ?
O3 C43 C42 113.2(7) . . ?
C44 C43 C42 118.6(7) . . ?
C43 C44 C45 123.5(7) . . ?
C43 C44 H44 118.2 . . ?
C45 C44 H44 118.2 . . ?
O4 C45 C44 122.1(8) . . ?
O4 C45 C46 115.3(7) . . ?
C44 C45 C46 122.5(8) . . ?
C45 C46 C47 127.7(7) . . ?
C45 C46 S3 119.9(6) . . ?
C47 C46 S3 112.3(6) . . ?
C48 C47 C46 106.1(7) . . ?
C48 C47 H47 126.9 . . ?
C46 C47 H47 126.9 . . ?
C49 C48 C47 115.4(8) . . ?
C49 C48 H48 122.3 . . ?
C47 C48 H48 122.3 . . ?
C48 C49 S3 113.7(7) . . ?
C48 C49 H49 123.2 . . ?
S3 C49 H49 123.2 . . ?
F8 C50 F7 107.6(8) . . ?
F8 C50 F9 106.5(7) . . ?
F7 C50 F9 107.2(8) . . ?
F8 C50 C51 112.2(8) . . ?
F7 C50 C51 110.5(7) . . ?
F9 C50 C51 112.6(8) . . ?
O6 C51 C52 128.4(7) . . ?
O6 C51 C50 111.4(7) . . ?
C52 C51 C50 120.2(7) . . ?
C51 C52 C53 123.2(7) . . ?
C51 C52 H52 118.4 . . ?
C53 C52 H52 118.4 . . ?
O5 C53 C52 123.3(7) . . ?
O5 C53 C54 117.1(7) . . ?
C52 C53 C54 119.6(7) . . ?
C55 C54 C53 130.0(8) . . ?
C55 C54 S4 110.5(6) . . ?
C53 C54 S4 119.4(6) . . ?
C56 C55 C54 112.5(8) . . ?
C56 C55 H55 123.8 . . ?
C54 C55 H55 123.8 . . ?
C57 C56 C55 112.5(9) . . ?
C57 C56 H56 123.7 . . ?
C55 C56 H56 123.7 . . ?
C56 C57 S4 112.7(8) . . ?
C56 C57 H57 123.7 . . ?
S4 C57 H57 123.7 . . ?
O8 C58 H58A 109.5 . . ?
O8 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O8 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O9 C59 H59A 109.5 . . ?
O9 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O9 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O2 Dy1 O6 114.3(2) . . ?
O2 Dy1 O1 72.3(2) . . ?
O6 Dy1 O1 79.28(19) . . ?
O2 Dy1 O4 148.43(19) . . ?
O6 Dy1 O4 73.4(2) . . ?
O1 Dy1 O4 79.8(2) . . ?
O2 Dy1 O3 136.85(19) . . ?
O6 Dy1 O3 84.69(19) . . ?
O1 Dy1 O3 150.85(19) . . ?
O4 Dy1 O3 72.34(18) . . ?
O2 Dy1 O5 73.28(18) . . ?
O6 Dy1 O5 73.36(18) . . ?
O1 Dy1 O5 121.0(2) . . ?
O4 Dy1 O5 135.80(17) . . ?
O3 Dy1 O5 76.33(18) . . ?
O2 Dy1 N4 87.9(2) . . ?
O6 Dy1 N4 140.6(2) . . ?
O1 Dy1 N4 77.3(2) . . ?
O4 Dy1 N4 71.6(2) . . ?
O3 Dy1 N4 101.23(19) . . ?
O5 Dy1 N4 146.0(2) . . ?
O2 Dy1 N3 68.79(19) . . ?
O6 Dy1 N3 153.03(19) . . ?
O1 Dy1 N3 124.82(19) . . ?
O4 Dy1 N3 119.0(2) . . ?
O3 Dy1 N3 77.66(19) . . ?
O5 Dy1 N3 82.69(19) . . ?
N4 Dy1 N3 64.0(2) . . ?
C21 N1 C23 104.8(8) . . ?
C21 N1 H1A 127.6 . . ?
C23 N1 H1A 127.6 . . ?
C21 N2 C22 104.0(8) . . ?
C27 N3 C28 117.6(7) . . ?
C27 N3 Dy1 122.0(5) . . ?
C28 N3 Dy1 118.9(6) . . ?
C33 N4 C29 118.1(7) . . ?
C33 N4 Dy1 121.9(6) . . ?
C29 N4 Dy1 119.9(5) . . ?
C35 O1 Dy1 131.7(5) . . ?
C37 O2 Dy1 137.6(5) . . ?
C43 O3 Dy1 129.7(5) . . ?
C45 O4 Dy1 135.2(5) . . ?
C53 O5 Dy1 132.2(5) . . ?
C51 O6 Dy1 129.5(5) . . ?
C58 O8 H8 109.5 . . ?
C59 O9 H9 109.5 . . ?
C38 S2 C41 91.5(5) . . ?
C49 S3 C46 92.4(5) . . ?
C57 S4 C54 91.8(4) . . ?
H7B O7 H7A 124(10) . . ?
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
C1 C2 1.374(15) . ?
C1 C6 1.452(13) . ?
C1 H1 0.9500 . ?
C2 C3 1.428(17) . ?
C2 H2 0.9500 . ?
C3 C4 1.309(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(14) . ?
C4 H4 0.9500 . ?
C5 C10 1.375(13) . ?
C5 C6 1.437(12) . ?
C6 C7 1.386(12) . ?
C7 C8 1.406(12) . ?
C7 C15 1.498(11) . ?
C8 C14 1.422(13) . ?
C8 C9 1.436(12) . ?
C9 C11 1.374(14) . ?
C9 C10 1.390(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.339(16) . ?
C11 H11 0.9500 . ?
C12 C13 1.429(16) . ?
C12 H12 0.9500 . ?
C13 C14 1.373(14) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.396(12) . ?
C15 C16 1.408(11) . ?
C16 C17 1.378(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.374(13) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(12) . ?
C18 C21 1.483(12) . ?
C19 C20 1.370(11) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 N2 1.320(12) . ?
C21 N1 1.384(11) . ?
C22 C23 1.343(12) . ?
C22 N2 1.378(9) . ?
C22 C30 1.426(13) . ?
C23 N1 1.385(10) . ?
C23 C24 1.446(11) . ?
C24 C25 1.385(12) . ?
C24 C28 1.440(11) . ?
C25 C26 1.366(11) . ?
C25 H25 0.9500 . ?
C26 C27 1.384(12) . ?
C26 H26 0.9500 . ?
C27 N3 1.317(11) . ?
C27 H27 0.9500 . ?
C28 N3 1.362(9) . ?
C28 C29 1.442(12) . ?
C29 N4 1.361(10) . ?
C29 C30 1.416(11) . ?
C30 C31 1.375(12) . ?
C31 C32 1.332(13) . ?
C31 H31 0.9500 . ?
C32 C33 1.405(11) . ?
C32 H32 0.9500 . ?
C33 N4 1.292(10) . ?
C33 H33 0.9500 . ?
C34 F3 1.313(10) . ?
C34 F1 1.321(9) . ?
C34 F2 1.340(11) . ?
C34 C35 1.549(12) . ?
C35 O1 1.301(9) . ?
C35 C36 1.326(11) . ?
C36 C37 1.397(11) . ?
C36 H36 0.9500 . ?
C37 O2 1.254(9) . ?
C37 C38 1.506(11) . ?
C38 C39 1.441(11) . ?
C38 S2 1.675(9) . ?
C39 C40 1.431(13) . ?
C39 H39 0.9500 . ?
C40 C41 1.341(14) . ?
C40 H40 0.9500 . ?
C41 S2 1.680(10) . ?
C41 H41 0.9500 . ?
C42 F6 1.296(10) . ?
C42 F5 1.312(11) . ?
C42 F4 1.328(11) . ?
C42 C43 1.544(12) . ?
C43 O3 1.248(9) . ?
C43 C44 1.378(11) . ?
C44 C45 1.391(11) . ?
C44 H44 0.9500 . ?
C45 O4 1.284(9) . ?
C45 C46 1.446(11) . ?
C46 C47 1.486(11) . ?
C46 S3 1.693(8) . ?
C47 C48 1.402(12) . ?
C47 H47 0.9500 . ?
C48 C49 1.371(13) . ?
C48 H48 0.9500 . ?
C49 S3 1.645(10) . ?
C49 H49 0.9500 . ?
C50 F8 1.301(10) . ?
C50 F7 1.330(10) . ?
C50 F9 1.354(9) . ?
C50 C51 1.528(11) . ?
C51 O6 1.275(9) . ?
C51 C52 1.365(11) . ?
C52 C53 1.420(11) . ?
C52 H52 0.9500 . ?
C53 O5 1.267(8) . ?
C53 C54 1.454(11) . ?
C54 C55 1.402(10) . ?
C54 S4 1.719(8) . ?
C55 C56 1.378(12) . ?
C55 H55 0.9500 . ?
C56 C57 1.379(13) . ?
C56 H56 0.9500 . ?
C57 S4 1.684(10) . ?
C57 H57 0.9500 . ?
C58 O8 1.399(15) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 O9 1.420(13) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
Dy1 O2 2.302(5) . ?
Dy1 O6 2.319(5) . ?
Dy1 O1 2.321(5) . ?
Dy1 O4 2.328(6) . ?
Dy1 O3 2.335(5) . ?
Dy1 O5 2.337(5) . ?
Dy1 N4 2.555(6) . ?
Dy1 N3 2.571(6) . ?
N1 H1A 0.8800 . ?
O8 H8 0.8400 . ?
O9 H9 0.8400 . ?
O7 H7B 0.92(2) . ?
O7 H7A 0.92(2) . ?
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
C6 C1 C2 C3 -1.5(16) . . . . ?
C1 C2 C3 C4 -0.7(17) . . . . ?
C2 C3 C4 C5 0.3(17) . . . . ?
C3 C4 C5 C10 -175.5(10) . . . . ?
C3 C4 C5 C6 2.1(15) . . . . ?
C10 C5 C6 C7 -3.3(12) . . . . ?
C4 C5 C6 C7 179.0(8) . . . . ?
C10 C5 C6 C1 173.7(8) . . . . ?
C4 C5 C6 C1 -4.0(12) . . . . ?
C2 C1 C6 C7 -179.3(9) . . . . ?
C2 C1 C6 C5 3.7(13) . . . . ?
C5 C6 C7 C8 2.8(12) . . . . ?
C1 C6 C7 C8 -174.1(8) . . . . ?
C5 C6 C7 C15 -179.1(7) . . . . ?
C1 C6 C7 C15 4.0(13) . . . . ?
C6 C7 C8 C14 -179.8(8) . . . . ?
C15 C7 C8 C14 2.1(13) . . . . ?
C6 C7 C8 C9 2.1(12) . . . . ?
C15 C7 C8 C9 -176.1(8) . . . . ?
C7 C8 C9 C11 174.4(9) . . . . ?
C14 C8 C9 C11 -3.9(13) . . . . ?
C7 C8 C9 C10 -6.4(13) . . . . ?
C14 C8 C9 C10 175.4(8) . . . . ?
C4 C5 C10 C9 176.5(9) . . . . ?
C6 C5 C10 C9 -1.1(13) . . . . ?
C11 C9 C10 C5 -174.9(9) . . . . ?
C8 C9 C10 C5 5.9(13) . . . . ?
C10 C9 C11 C12 -176.7(10) . . . . ?
C8 C9 C11 C12 2.5(15) . . . . ?
C9 C11 C12 C13 0.1(17) . . . . ?
C11 C12 C13 C14 -1.2(17) . . . . ?
C12 C13 C14 C8 -0.5(16) . . . . ?
C7 C8 C14 C13 -175.4(9) . . . . ?
C9 C8 C14 C13 2.8(14) . . . . ?
C6 C7 C15 C20 -121.1(10) . . . . ?
C8 C7 C15 C20 57.0(12) . . . . ?
C6 C7 C15 C16 63.4(12) . . . . ?
C8 C7 C15 C16 -118.5(10) . . . . ?
C20 C15 C16 C17 1.3(15) . . . . ?
C7 C15 C16 C17 176.9(9) . . . . ?
C15 C16 C17 C18 -2.5(16) . . . . ?
C16 C17 C18 C19 4.3(16) . . . . ?
C16 C17 C18 C21 -172.0(10) . . . . ?
C17 C18 C19 C20 -5.2(17) . . . . ?
C21 C18 C19 C20 171.3(10) . . . . ?
C18 C19 C20 C15 4.1(17) . . . . ?
C16 C15 C20 C19 -2.2(15) . . . . ?
C7 C15 C20 C19 -177.9(10) . . . . ?
C17 C18 C21 N2 125.9(11) . . . . ?
C19 C18 C21 N2 -50.4(14) . . . . ?
C17 C18 C21 N1 -49.2(15) . . . . ?
C19 C18 C21 N1 134.4(10) . . . . ?
N2 C22 C23 N1 1.1(10) . . . . ?
C30 C22 C23 N1 -176.2(7) . . . . ?
N2 C22 C23 C24 -179.0(7) . . . . ?
C30 C22 C23 C24 3.7(13) . . . . ?
C22 C23 C24 C25 177.0(8) . . . . ?
N1 C23 C24 C25 -3.2(15) . . . . ?
C22 C23 C24 C28 -2.3(12) . . . . ?
N1 C23 C24 C28 177.5(8) . . . . ?
C28 C24 C25 C26 -0.4(13) . . . . ?
C23 C24 C25 C26 -179.7(8) . . . . ?
C24 C25 C26 C27 -2.6(13) . . . . ?
C25 C26 C27 N3 2.8(14) . . . . ?
C25 C24 C28 N3 3.5(12) . . . . ?
C23 C24 C28 N3 -177.1(7) . . . . ?
C25 C24 C28 C29 -178.1(8) . . . . ?
C23 C24 C28 C29 1.3(11) . . . . ?
N3 C28 C29 N4 -2.7(11) . . . . ?
C24 C28 C29 N4 178.9(7) . . . . ?
N3 C28 C29 C30 176.8(7) . . . . ?
C24 C28 C29 C30 -1.6(12) . . . . ?
N4 C29 C30 C31 3.2(11) . . . . ?
C28 C29 C30 C31 -176.3(7) . . . . ?
N4 C29 C30 C22 -177.9(7) . . . . ?
C28 C29 C30 C22 2.7(11) . . . . ?
C23 C22 C30 C31 175.2(8) . . . . ?
N2 C22 C30 C31 -1.8(13) . . . . ?
C23 C22 C30 C29 -3.7(12) . . . . ?
N2 C22 C30 C29 179.4(7) . . . . ?
C29 C30 C31 C32 -0.1(13) . . . . ?
C22 C30 C31 C32 -179.0(8) . . . . ?
C30 C31 C32 C33 -2.0(14) . . . . ?
C31 C32 C33 N4 1.4(14) . . . . ?
F3 C34 C35 O1 -62.8(10) . . . . ?
F1 C34 C35 O1 174.0(7) . . . . ?
F2 C34 C35 O1 55.8(9) . . . . ?
F3 C34 C35 C36 113.1(9) . . . . ?
F1 C34 C35 C36 -10.1(12) . . . . ?
F2 C34 C35 C36 -128.2(8) . . . . ?
O1 C35 C36 C37 -1.9(14) . . . . ?
C34 C35 C36 C37 -177.1(8) . . . . ?
C35 C36 C37 O2 2.2(13) . . . . ?
C35 C36 C37 C38 -180.0(8) . . . . ?
O2 C37 C38 C39 171.3(7) . . . . ?
C36 C37 C38 C39 -6.7(12) . . . . ?
O2 C37 C38 S2 -7.8(9) . . . . ?
C36 C37 C38 S2 174.2(6) . . . . ?
C37 C38 C39 C40 -177.9(7) . . . . ?
S2 C38 C39 C40 1.2(9) . . . . ?
C38 C39 C40 C41 -1.2(11) . . . . ?
C39 C40 C41 S2 0.7(12) . . . . ?
F6 C42 C43 O3 -166.3(9) . . . . ?
F5 C42 C43 O3 -46.8(11) . . . . ?
F4 C42 C43 O3 69.3(10) . . . . ?
F6 C42 C43 C44 15.0(14) . . . . ?
F5 C42 C43 C44 134.5(8) . . . . ?
F4 C42 C43 C44 -109.4(9) . . . . ?
O3 C43 C44 C45 -0.9(14) . . . . ?
C42 C43 C44 C45 177.5(8) . . . . ?
C43 C44 C45 O4 8.3(13) . . . . ?
C43 C44 C45 C46 -168.6(8) . . . . ?
O4 C45 C46 C47 -171.1(7) . . . . ?
C44 C45 C46 C47 6.1(13) . . . . ?
O4 C45 C46 S3 4.2(10) . . . . ?
C44 C45 C46 S3 -178.6(6) . . . . ?
C45 C46 C47 C48 178.7(8) . . . . ?
S3 C46 C47 C48 3.0(8) . . . . ?
C46 C47 C48 C49 -1.9(11) . . . . ?
C47 C48 C49 S3 -0.1(12) . . . . ?
F8 C50 C51 O6 59.7(10) . . . . ?
F7 C50 C51 O6 -60.3(10) . . . . ?
F9 C50 C51 O6 179.9(8) . . . . ?
F8 C50 C51 C52 -119.6(9) . . . . ?
F7 C50 C51 C52 120.4(9) . . . . ?
F9 C50 C51 C52 0.6(12) . . . . ?
O6 C51 C52 C53 -3.9(14) . . . . ?
C50 C51 C52 C53 175.2(8) . . . . ?
C51 C52 C53 O5 3.0(13) . . . . ?
C51 C52 C53 C54 -175.2(8) . . . . ?
O5 C53 C54 C55 166.0(8) . . . . ?
C52 C53 C54 C55 -15.6(14) . . . . ?
O5 C53 C54 S4 -11.8(10) . . . . ?
C52 C53 C54 S4 166.6(6) . . . . ?
C53 C54 C55 C56 -175.9(9) . . . . ?
S4 C54 C55 C56 2.1(10) . . . . ?
C54 C55 C56 C57 -1.6(13) . . . . ?
C55 C56 C57 S4 0.4(12) . . . . ?
N2 C21 N1 C23 -0.2(10) . . . . ?
C18 C21 N1 C23 175.4(8) . . . . ?
C22 C23 N1 C21 -0.6(9) . . . . ?
C24 C23 N1 C21 179.6(8) . . . . ?
N1 C21 N2 C22 0.9(10) . . . . ?
C18 C21 N2 C22 -174.8(8) . . . . ?
C23 C22 N2 C21 -1.2(10) . . . . ?
C30 C22 N2 C21 176.0(8) . . . . ?
C26 C27 N3 C28 0.3(13) . . . . ?
C26 C27 N3 Dy1 166.4(7) . . . . ?
C24 C28 N3 C27 -3.5(11) . . . . ?
C29 C28 N3 C27 178.1(7) . . . . ?
C24 C28 N3 Dy1 -170.0(6) . . . . ?
C29 C28 N3 Dy1 11.6(9) . . . . ?
O2 Dy1 N3 C27 -78.2(6) . . . . ?
O6 Dy1 N3 C27 23.9(9) . . . . ?
O1 Dy1 N3 C27 -126.3(6) . . . . ?
O4 Dy1 N3 C27 135.7(6) . . . . ?
O3 Dy1 N3 C27 74.2(6) . . . . ?
O5 Dy1 N3 C27 -3.3(6) . . . . ?
N4 Dy1 N3 C27 -176.6(7) . . . . ?
O2 Dy1 N3 C28 87.7(6) . . . . ?
O6 Dy1 N3 C28 -170.2(5) . . . . ?
O1 Dy1 N3 C28 39.6(6) . . . . ?
O4 Dy1 N3 C28 -58.4(6) . . . . ?
O3 Dy1 N3 C28 -119.9(6) . . . . ?
O5 Dy1 N3 C28 162.6(6) . . . . ?
N4 Dy1 N3 C28 -10.7(5) . . . . ?
C32 C33 N4 C29 1.5(12) . . . . ?
C32 C33 N4 Dy1 -175.1(6) . . . . ?
C30 C29 N4 C33 -3.8(11) . . . . ?
C28 C29 N4 C33 175.6(7) . . . . ?
C30 C29 N4 Dy1 172.9(5) . . . . ?
C28 C29 N4 Dy1 -7.7(9) . . . . ?
O2 Dy1 N4 C33 118.6(6) . . . . ?
O6 Dy1 N4 C33 -8.5(8) . . . . ?
O1 Dy1 N4 C33 46.3(6) . . . . ?
O4 Dy1 N4 C33 -37.0(6) . . . . ?
O3 Dy1 N4 C33 -103.9(6) . . . . ?
O5 Dy1 N4 C33 173.9(6) . . . . ?
N3 Dy1 N4 C33 -174.0(7) . . . . ?
O2 Dy1 N4 C29 -58.0(6) . . . . ?
O6 Dy1 N4 C29 174.9(5) . . . . ?
O1 Dy1 N4 C29 -130.3(6) . . . . ?
O4 Dy1 N4 C29 146.4(6) . . . . ?
O3 Dy1 N4 C29 79.5(6) . . . . ?
O5 Dy1 N4 C29 -2.6(7) . . . . ?
N3 Dy1 N4 C29 9.4(5) . . . . ?
C36 C35 O1 Dy1 14.8(13) . . . . ?
C34 C35 O1 Dy1 -169.7(5) . . . . ?
O2 Dy1 O1 C35 -17.2(6) . . . . ?
O6 Dy1 O1 C35 -137.2(7) . . . . ?
O4 Dy1 O1 C35 148.0(7) . . . . ?
O3 Dy1 O1 C35 165.0(6) . . . . ?
O5 Dy1 O1 C35 -74.2(7) . . . . ?
N4 Dy1 O1 C35 74.7(7) . . . . ?
N3 Dy1 O1 C35 29.6(8) . . . . ?
C36 C37 O2 Dy1 -17.2(13) . . . . ?
C38 C37 O2 Dy1 164.8(5) . . . . ?
O6 Dy1 O2 C37 88.8(8) . . . . ?
O1 Dy1 O2 C37 19.8(7) . . . . ?
O4 Dy1 O2 C37 -9.0(10) . . . . ?
O3 Dy1 O2 C37 -161.8(7) . . . . ?
O5 Dy1 O2 C37 151.2(8) . . . . ?
N4 Dy1 O2 C37 -57.5(8) . . . . ?
N3 Dy1 O2 C37 -120.3(8) . . . . ?
C44 C43 O3 Dy1 -27.2(12) . . . . ?
C42 C43 O3 Dy1 154.2(6) . . . . ?
O2 Dy1 O3 C43 -163.8(6) . . . . ?
O6 Dy1 O3 C43 -43.5(6) . . . . ?
O1 Dy1 O3 C43 13.2(8) . . . . ?
O4 Dy1 O3 C43 30.8(6) . . . . ?
O5 Dy1 O3 C43 -117.6(7) . . . . ?
N4 Dy1 O3 C43 97.2(7) . . . . ?
N3 Dy1 O3 C43 157.1(7) . . . . ?
C44 C45 O4 Dy1 13.9(12) . . . . ?
C46 C45 O4 Dy1 -168.9(5) . . . . ?
O2 Dy1 O4 C45 173.4(6) . . . . ?
O6 Dy1 O4 C45 63.9(7) . . . . ?
O1 Dy1 O4 C45 145.6(8) . . . . ?
O3 Dy1 O4 C45 -25.8(7) . . . . ?
O5 Dy1 O4 C45 21.2(9) . . . . ?
N4 Dy1 O4 C45 -134.5(8) . . . . ?
N3 Dy1 O4 C45 -90.1(8) . . . . ?
C52 C53 O5 Dy1 24.0(11) . . . . ?
C54 C53 O5 Dy1 -157.7(5) . . . . ?
O2 Dy1 O5 C53 -154.5(7) . . . . ?
O6 Dy1 O5 C53 -32.0(7) . . . . ?
O1 Dy1 O5 C53 -98.0(7) . . . . ?
O4 Dy1 O5 C53 10.8(8) . . . . ?
O3 Dy1 O5 C53 56.5(7) . . . . ?
N4 Dy1 O5 C53 146.4(6) . . . . ?
N3 Dy1 O5 C53 135.5(7) . . . . ?
C52 C51 O6 Dy1 -21.6(13) . . . . ?
C50 C51 O6 Dy1 159.2(6) . . . . ?
O2 Dy1 O6 C51 91.9(7) . . . . ?
O1 Dy1 O6 C51 156.8(7) . . . . ?
O4 Dy1 O6 C51 -120.8(7) . . . . ?
O3 Dy1 O6 C51 -47.7(7) . . . . ?
O5 Dy1 O6 C51 29.6(7) . . . . ?
N4 Dy1 O6 C51 -148.9(6) . . . . ?
N3 Dy1 O6 C51 1.3(10) . . . . ?
C39 C38 S2 C41 -0.7(7) . . . . ?
C37 C38 S2 C41 178.4(7) . . . . ?
C40 C41 S2 C38 0.0(8) . . . . ?
C48 C49 S3 C46 1.7(8) . . . . ?
C45 C46 S3 C49 -178.8(7) . . . . ?
C47 C46 S3 C49 -2.8(7) . . . . ?
C56 C57 S4 C54 0.7(9) . . . . ?
C55 C54 S4 C57 -1.6(7) . . . . ?
C53 C54 S4 C57 176.7(7) . . . . ?
