#------------------------------------------------------------------------------
#$Date: 2019-12-13 11:40:20 +0200 (Fri, 13 Dec 2019) $
#$Revision: 245056 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556560.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_1556560
loop_
_publ_author_name
'Ishikawa, R.'
'Michiwaki, S.'
'Noda, T.'
'Katoh, K.'
'Yamashita, M.'
'Matsubara, K.'
'Kawata, S.'
_publ_section_title
;
 Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear
 Dysprosium(III) Complexes Coordinated by a Chloranilate with Different
 Resonance Forms
;
_journal_name_full               Inorganics
_journal_page_first              7
_journal_paper_doi               10.3390/inorganics6010007
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety         'C44 H44 B4 Cl6 Dy2 N24 O4'
_chemical_formula_sum            'C44 H44 B4 Cl6 Dy2 N24 O4'
_chemical_formula_weight         1553.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.6590(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   13.9870(7)
_cell_length_b                   15.1052(9)
_cell_length_c                   14.8741(7)
_cell_measurement_reflns_used    21100
_cell_measurement_temperature    163
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.06
_cell_volume                     2994.5(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.2.2'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      163
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27868
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.441
_diffrn_reflns_theta_min         3.056
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.810
_exptl_absorpt_correction_T_max  0.755
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1524.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.54
_refine_diff_density_min         -0.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6808
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0233P)²+5.8559P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0860
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5671
_reflns_number_total             6808
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            CrystalStructure_1.cif
_cod_data_source_block           151201mcwkDy2
_cod_database_code               1556560
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 -1/2+X,-1/2-Y,-1/2+Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.41743(2) 0.13054(2) 0.72492(2) 0.01692(7) Uani 1 1 d . . . . .
Cl1 Cl 0.43454(9) 0.17032(7) 0.36945(7) 0.0308(2) Uani 1 1 d . . . . .
Cl2 Cl 0.7320(2) 0.16336(19) 0.63635(13) 0.1017(8) Uani 1 1 d . . . . .
Cl3 Cl 0.7189(2) 0.33979(16) 0.5542(2) 0.1065(9) Uani 1 1 d . . . . .
O1 O 0.4287(2) 0.14172(19) 0.56908(18) 0.0241(6) Uani 1 1 d . . . . .
O2 O 0.4721(2) -0.00252(19) 0.67040(17) 0.0214(6) Uani 1 1 d . . . . .
N1 N 0.6037(3) 0.1134(2) 0.7999(2) 0.0238(7) Uani 1 1 d . . . . .
N2 N 0.6631(3) 0.1822(2) 0.8450(2) 0.0250(7) Uani 1 1 d . . . . .
N3 N 0.4835(3) 0.2782(2) 0.7059(2) 0.0250(7) Uani 1 1 d . . . . .
N4 N 0.5631(3) 0.3180(2) 0.7700(2) 0.0255(7) Uani 1 1 d . . . . .
N5 N 0.4660(3) 0.2012(2) 0.8864(2) 0.0228(7) Uani 1 1 d . . . . .
N6 N 0.5471(3) 0.2546(2) 0.9214(2) 0.0239(7) Uani 1 1 d . . . . .
N7 N 0.2708(3) 0.2136(2) 0.7395(2) 0.0245(7) Uani 1 1 d . . . . .
N8 N 0.1924(3) 0.1712(2) 0.7567(2) 0.0235(7) Uani 1 1 d . . . . .
N9 N 0.3638(2) 0.0244(2) 0.8227(2) 0.0202(7) Uani 1 1 d . . . . .
N10 N 0.2687(2) 0.0255(2) 0.8292(2) 0.0214(7) Uani 1 1 d . . . . .
N11 N 0.2586(3) 0.0571(2) 0.6204(2) 0.0232(7) Uani 1 1 d . . . . .
N12 N 0.1823(3) 0.0360(2) 0.6561(2) 0.0229(7) Uani 1 1 d . . . . .
C1 C 0.4886(3) -0.0058(3) 0.5920(2) 0.0198(8) Uani 1 1 d . . . . .
C2 C 0.4607(3) 0.0780(3) 0.5312(3) 0.0195(7) Uani 1 1 d . . . . .
C3 C 0.4706(3) 0.0784(3) 0.4410(2) 0.0204(8) Uani 1 1 d . . . . .
C4 C 0.6652(3) 0.0433(3) 0.8078(3) 0.0287(9) Uani 1 1 d . . . . .
H4 H 0.6446 -0.0141 0.7835 0.034 Uiso 1 1 calc R U . . .
C5 C 0.7638(3) 0.0674(3) 0.8572(3) 0.0324(10) Uani 1 1 d . . . . .
H5 H 0.8218 0.0307 0.8726 0.039 Uiso 1 1 calc R U . . .
C6 C 0.7588(3) 0.1555(3) 0.8787(3) 0.0295(10) Uani 1 1 d . . . . .
H6 H 0.8140 0.1914 0.9119 0.035 Uiso 1 1 calc R U . . .
C7 C 0.4535(3) 0.3353(3) 0.6335(3) 0.0293(9) Uani 1 1 d . . . . .
H7 H 0.3993 0.3252 0.5779 0.035 Uiso 1 1 calc R U . . .
C8 C 0.5121(4) 0.4106(3) 0.6508(3) 0.0365(11) Uani 1 1 d . . . . .
H8 H 0.5060 0.4609 0.6112 0.044 Uiso 1 1 calc R U . . .
C9 C 0.5811(4) 0.3970(3) 0.7377(3) 0.0344(10) Uani 1 1 d . . . . .
H9 H 0.6328 0.4369 0.7694 0.041 Uiso 1 1 calc R U . . .
C10 C 0.4213(3) 0.1971(3) 0.9537(3) 0.0266(9) Uani 1 1 d . . . . .
H10 H 0.3618 0.1646 0.9489 0.032 Uiso 1 1 calc R U . . .
C11 C 0.4735(4) 0.2470(3) 1.0320(3) 0.0307(10) Uani 1 1 d . . . . .
H11 H 0.4577 0.2547 1.0893 0.037 Uiso 1 1 calc R U . . .
C12 C 0.5520(3) 0.2824(3) 1.0086(3) 0.0292(9) Uani 1 1 d . . . . .
H12 H 0.6019 0.3203 1.0472 0.035 Uiso 1 1 calc R U . . .
C13 C 0.2591(4) 0.2994(3) 0.7544(3) 0.0283(9) Uani 1 1 d . . . . .
H13 H 0.3034 0.3448 0.7476 0.034 Uiso 1 1 calc R U . . .
C14 C 0.1742(4) 0.3137(3) 0.7812(3) 0.0342(10) Uani 1 1 d . . . . .
H14 H 0.1489 0.3686 0.7956 0.041 Uiso 1 1 calc R U . . .
C15 C 0.1346(4) 0.2310(3) 0.7822(3) 0.0318(10) Uani 1 1 d . . . . .
H15 H 0.0755 0.2179 0.7984 0.038 Uiso 1 1 calc R U . . .
C16 C 0.4176(3) -0.0256(3) 0.8948(3) 0.0263(9) Uani 1 1 d . . . . .
H16 H 0.4868 -0.0387 0.9069 0.032 Uiso 1 1 calc R U . . .
C17 C 0.3604(3) -0.0557(3) 0.9490(3) 0.0280(9) Uani 1 1 d . . . . .
H17 H 0.3810 -0.0917 1.0039 0.034 Uiso 1 1 calc R U . . .
C18 C 0.2659(3) -0.0216(3) 0.9052(3) 0.0260(9) Uani 1 1 d . . . . .
H18 H 0.2083 -0.0301 0.9255 0.031 Uiso 1 1 calc R U . . .
C19 C 0.2353(3) 0.0168(3) 0.5357(3) 0.0290(9) Uani 1 1 d . . . . .
H19 H 0.2745 0.0205 0.4936 0.035 Uiso 1 1 calc R U . . .
C20 C 0.1465(3) -0.0307(3) 0.5178(3) 0.0331(10) Uani 1 1 d . . . . .
H20 H 0.1143 -0.0652 0.4637 0.040 Uiso 1 1 calc R U . . .
C21 C 0.1157(3) -0.0166(3) 0.5956(3) 0.0293(9) Uani 1 1 d . . . . .
H21 H 0.0567 -0.0403 0.6053 0.035 Uiso 1 1 calc R U . . .
C22 C 0.6831(8) 0.2321(6) 0.5412(6) 0.105(4) Uani 1 1 d . . . . .
H22A H 0.7015 0.2077 0.4869 0.127 Uiso 1 1 calc R U . . .
H22B H 0.6090 0.2299 0.5246 0.127 Uiso 1 1 calc R U . . .
B1 B 0.6201(4) 0.2722(3) 0.8639(3) 0.0264(10) Uani 1 1 d . . . . .
H1 H 0.6760 0.3112 0.9009 0.032 Uiso 1 1 calc R U . . .
B2 B 0.1812(3) 0.0694(3) 0.7532(3) 0.0235(9) Uani 1 1 d . . . . .
H2 H 0.1162 0.0527 0.7637 0.028 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Dy Dy -0.1892 4.4098
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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
O1 Dy1 O2 66.69(9) . .
O1 Dy1 N9 138.94(10) . .
O2 Dy1 N9 80.57(10) . .
O1 Dy1 N3 71.65(10) . .
O2 Dy1 N3 123.71(11) . .
N9 Dy1 N3 149.39(11) . .
O1 Dy1 N7 110.62(10) . .
O2 Dy1 N7 145.16(11) . .
N9 Dy1 N7 82.38(11) . .
N3 Dy1 N7 84.31(12) . .
O1 Dy1 N1 94.22(10) . .
O2 Dy1 N1 70.58(10) . .
N9 Dy1 N1 97.64(11) . .
N3 Dy1 N1 76.69(12) . .
N7 Dy1 N1 142.09(11) . .
O1 Dy1 N5 145.02(11) . .
O2 Dy1 N5 131.27(10) . .
N9 Dy1 N5 75.67(11) . .
N3 Dy1 N5 74.03(11) . .
N7 Dy1 N5 72.10(11) . .
N1 Dy1 N5 71.25(11) . .
O1 Dy1 N11 74.88(10) . .
O2 Dy1 N11 74.65(10) . .
N9 Dy1 N11 73.00(10) . .
N3 Dy1 N11 127.76(11) . .
N7 Dy1 N11 71.39(11) . .
N1 Dy1 N11 145.05(11) . .
N5 Dy1 N11 134.22(11) . .
C2 O1 Dy1 121.2(2) . .
C1 O2 Dy1 121.2(3) . .
C4 N1 N2 106.1(3) . .
C4 N1 Dy1 131.9(3) . .
N2 N1 Dy1 122.1(3) . .
C6 N2 N1 110.0(4) . .
C6 N2 B1 126.6(4) . .
N1 N2 B1 122.9(3) . .
C7 N3 N4 105.5(4) . .
C7 N3 Dy1 129.6(3) . .
N4 N3 Dy1 124.9(2) . .
C9 N4 N3 110.1(3) . .
C9 N4 B1 128.5(4) . .
N3 N4 B1 121.4(3) . .
C10 N5 N6 105.5(3) . .
C10 N5 Dy1 130.0(3) . .
N6 N5 Dy1 124.5(2) . .
C12 N6 N5 110.2(3) . .
C12 N6 B1 129.3(4) . .
N5 N6 B1 120.4(3) . .
C13 N7 N8 106.2(4) . .
C13 N7 Dy1 131.0(3) . .
N8 N7 Dy1 121.1(3) . .
C15 N8 N7 109.0(4) . .
C15 N8 B2 128.0(4) . .
N7 N8 B2 122.9(3) . .
C16 N9 N10 105.8(3) . .
C16 N9 Dy1 130.6(3) . .
N10 N9 Dy1 121.3(2) . .
C18 N10 N9 109.4(3) . .
C18 N10 B2 128.6(4) . .
N9 N10 B2 121.9(3) . .
C19 N11 N12 105.2(3) . .
C19 N11 Dy1 133.3(3) . .
N12 N11 Dy1 120.3(2) . .
C21 N12 N11 110.1(3) . .
C21 N12 B2 128.5(4) . .
N11 N12 B2 121.4(3) . .
O2 C1 C3 124.6(4) . 3_656
O2 C1 C2 115.4(3) . .
C3 C1 C2 120.0(3) 3_656 .
O1 C2 C3 125.3(4) . .
O1 C2 C1 115.3(3) . .
C3 C2 C1 119.4(3) . .
C2 C3 C1 120.5(3) . 3_656
C2 C3 Cl1 120.2(3) . .
C1 C3 Cl1 119.3(3) 3_656 .
N1 C4 C5 110.1(4) . .
N1 C4 H4 125.0 . .
C5 C4 H4 125.0 . .
C6 C5 C4 105.2(4) . .
C6 C5 H5 127.4 . .
C4 C5 H5 127.4 . .
N2 C6 C5 108.7(4) . .
N2 C6 H6 125.7 . .
C5 C6 H6 125.7 . .
N3 C7 C8 110.9(4) . .
N3 C7 H7 124.5 . .
C8 C7 H7 124.5 . .
C9 C8 C7 105.1(4) . .
C9 C8 H8 127.5 . .
C7 C8 H8 127.5 . .
N4 C9 C8 108.4(4) . .
N4 C9 H9 125.8 . .
C8 C9 H9 125.8 . .
N5 C10 C11 110.9(4) . .
N5 C10 H10 124.6 . .
C11 C10 H10 124.6 . .
C12 C11 C10 104.9(4) . .
C12 C11 H11 127.5 . .
C10 C11 H11 127.5 . .
N6 C12 C11 108.5(4) . .
N6 C12 H12 125.7 . .
C11 C12 H12 125.7 . .
N7 C13 C14 111.1(4) . .
N7 C13 H13 124.4 . .
C14 C13 H13 124.4 . .
C15 C14 C13 104.2(4) . .
C15 C14 H14 127.9 . .
C13 C14 H14 127.9 . .
N8 C15 C14 109.4(4) . .
N8 C15 H15 125.3 . .
C14 C15 H15 125.3 . .
N9 C16 C17 111.8(4) . .
N9 C16 H16 124.1 . .
C17 C16 H16 124.1 . .
C16 C17 C18 104.1(4) . .
C16 C17 H17 127.9 . .
C18 C17 H17 127.9 . .
N10 C18 C17 108.9(4) . .
N10 C18 H18 125.6 . .
C17 C18 H18 125.6 . .
N11 C19 C20 111.1(4) . .
N11 C19 H19 124.4 . .
C20 C19 H19 124.4 . .
C21 C20 C19 104.5(4) . .
C21 C20 H20 127.7 . .
C19 C20 H20 127.7 . .
N12 C21 C20 109.0(4) . .
N12 C21 H21 125.5 . .
C20 C21 H21 125.5 . .
Cl3 C22 Cl2 117.0(5) . .
Cl3 C22 H22A 108.0 . .
Cl2 C22 H22A 108.0 . .
Cl3 C22 H22B 108.0 . .
Cl2 C22 H22B 108.0 . .
H22A C22 H22B 107.3 . .
N6 B1 N4 109.4(4) . .
N6 B1 N2 108.0(3) . .
N4 B1 N2 110.6(3) . .
N6 B1 H1 109.6 . .
N4 B1 H1 109.6 . .
N2 B1 H1 109.6 . .
N12 B2 N10 108.4(3) . .
N12 B2 N8 109.2(3) . .
N10 B2 N8 110.7(3) . .
N12 B2 H2 109.5 . .
N10 B2 H2 109.5 . .
N8 B2 H2 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.376(3) .
Dy1 O2 2.379(3) .
Dy1 N9 2.431(3) .
Dy1 N3 2.463(4) .
Dy1 N7 2.469(4) .
Dy1 N1 2.517(3) .
Dy1 N5 2.526(3) .
Dy1 N11 2.547(3) .
Cl1 C3 1.729(4) .
Cl2 C22 1.721(8) .
Cl3 C22 1.696(9) .
O1 C2 1.264(5) .
O2 C1 1.256(4) .
N1 C4 1.347(5) .
N1 N2 1.372(5) .
N2 C6 1.341(6) .
N2 B1 1.546(6) .
N3 C7 1.343(5) .
N3 N4 1.366(5) .
N4 C9 1.339(6) .
N4 B1 1.546(6) .
N5 C10 1.332(5) .
N5 N6 1.361(5) .
N6 C12 1.345(5) .
N6 B1 1.540(6) .
N7 C13 1.334(5) .
N7 N8 1.359(5) .
N8 C15 1.342(6) .
N8 B2 1.545(6) .
N9 C16 1.341(5) .
N9 N10 1.363(5) .
N10 C18 1.347(5) .
N10 B2 1.542(5) .
N11 C19 1.347(5) .
N11 N12 1.365(5) .
N12 C21 1.341(5) .
N12 B2 1.535(5) .
C1 C3 1.393(6) 3_656
C1 C2 1.535(5) .
C2 C3 1.391(5) .
C3 C1 1.393(6) 3_656
C4 C5 1.400(6) .
C4 H4 0.9500 .
C5 C6 1.375(7) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.379(7) .
C7 H7 0.9500 .
C8 C9 1.374(7) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C11 1.395(6) .
C10 H10 0.9500 .
C11 C12 1.357(7) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.379(7) .
C13 H13 0.9500 .
C14 C15 1.369(7) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.373(6) .
C16 H16 0.9500 .
C17 C18 1.384(6) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.389(7) .
C19 H19 0.9500 .
C20 C21 1.368(6) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
B1 H1 1.0000 .
B2 H2 1.0000 .
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
C4 N1 N2 C6 0.8(4) . . . .
Dy1 N1 N2 C6 179.8(3) . . . .
C4 N1 N2 B1 -171.7(4) . . . .
Dy1 N1 N2 B1 7.4(5) . . . .
C7 N3 N4 C9 -0.1(5) . . . .
Dy1 N3 N4 C9 178.8(3) . . . .
C7 N3 N4 B1 -179.3(4) . . . .
Dy1 N3 N4 B1 -0.4(5) . . . .
C10 N5 N6 C12 0.2(5) . . . .
Dy1 N5 N6 C12 179.4(3) . . . .
C10 N5 N6 B1 177.7(4) . . . .
Dy1 N5 N6 B1 -3.1(5) . . . .
C13 N7 N8 C15 -0.4(4) . . . .
Dy1 N7 N8 C15 166.3(3) . . . .
C13 N7 N8 B2 -176.2(3) . . . .
Dy1 N7 N8 B2 -9.6(4) . . . .
C16 N9 N10 C18 1.2(4) . . . .
Dy1 N9 N10 C18 -163.2(3) . . . .
C16 N9 N10 B2 -174.3(4) . . . .
Dy1 N9 N10 B2 21.3(5) . . . .
C19 N11 N12 C21 1.0(4) . . . .
Dy1 N11 N12 C21 -168.1(3) . . . .
C19 N11 N12 B2 179.8(4) . . . .
Dy1 N11 N12 B2 10.7(5) . . . .
Dy1 O2 C1 C3 173.8(3) . . . 3_656
Dy1 O2 C1 C2 -6.1(4) . . . .
Dy1 O1 C2 C3 -179.5(3) . . . .
Dy1 O1 C2 C1 1.3(5) . . . .
O2 C1 C2 O1 3.1(5) . . . .
C3 C1 C2 O1 -176.8(4) 3_656 . . .
O2 C1 C2 C3 -176.2(4) . . . .
C3 C1 C2 C3 3.9(6) 3_656 . . .
O1 C2 C3 C1 176.9(4) . . . 3_656
C1 C2 C3 C1 -4.0(6) . . . 3_656
O1 C2 C3 Cl1 -2.0(6) . . . .
C1 C2 C3 Cl1 177.2(3) . . . .
N2 N1 C4 C5 -0.5(5) . . . .
Dy1 N1 C4 C5 -179.3(3) . . . .
N1 C4 C5 C6 0.0(5) . . . .
N1 N2 C6 C5 -0.8(5) . . . .
B1 N2 C6 C5 171.3(4) . . . .
C4 C5 C6 N2 0.5(5) . . . .
N4 N3 C7 C8 -0.3(5) . . . .
Dy1 N3 C7 C8 -179.1(3) . . . .
N3 C7 C8 C9 0.6(6) . . . .
N3 N4 C9 C8 0.4(5) . . . .
B1 N4 C9 C8 179.6(4) . . . .
C7 C8 C9 N4 -0.6(6) . . . .
N6 N5 C10 C11 -0.4(5) . . . .
Dy1 N5 C10 C11 -179.6(3) . . . .
N5 C10 C11 C12 0.5(5) . . . .
N5 N6 C12 C11 0.1(5) . . . .
B1 N6 C12 C11 -177.1(4) . . . .
C10 C11 C12 N6 -0.4(5) . . . .
N8 N7 C13 C14 0.0(4) . . . .
Dy1 N7 C13 C14 -164.8(3) . . . .
N7 C13 C14 C15 0.3(5) . . . .
N7 N8 C15 C14 0.6(5) . . . .
B2 N8 C15 C14 176.1(4) . . . .
C13 C14 C15 N8 -0.5(5) . . . .
N10 N9 C16 C17 -1.1(5) . . . .
Dy1 N9 C16 C17 161.3(3) . . . .
N9 C16 C17 C18 0.5(5) . . . .
N9 N10 C18 C17 -0.9(5) . . . .
B2 N10 C18 C17 174.2(4) . . . .
C16 C17 C18 N10 0.3(5) . . . .
N12 N11 C19 C20 -1.0(5) . . . .
Dy1 N11 C19 C20 166.0(3) . . . .
N11 C19 C20 C21 0.7(5) . . . .
N11 N12 C21 C20 -0.6(5) . . . .
B2 N12 C21 C20 -179.3(4) . . . .
C19 C20 C21 N12 -0.1(5) . . . .
C12 N6 B1 N4 -121.6(4) . . . .
N5 N6 B1 N4 61.4(5) . . . .
C12 N6 B1 N2 118.0(5) . . . .
N5 N6 B1 N2 -59.0(5) . . . .
C9 N4 B1 N6 120.5(5) . . . .
N3 N4 B1 N6 -60.4(5) . . . .
C9 N4 B1 N2 -120.6(5) . . . .
N3 N4 B1 N2 58.5(5) . . . .
C6 N2 B1 N6 -114.0(4) . . . .
N1 N2 B1 N6 57.2(5) . . . .
C6 N2 B1 N4 126.4(4) . . . .
N1 N2 B1 N4 -62.5(5) . . . .
C21 N12 B2 N10 111.8(5) . . . .
N11 N12 B2 N10 -66.7(5) . . . .
C21 N12 B2 N8 -127.5(4) . . . .
N11 N12 B2 N8 53.9(5) . . . .
C18 N10 B2 N12 -125.5(4) . . . .
N9 N10 B2 N12 49.1(5) . . . .
C18 N10 B2 N8 114.8(4) . . . .
N9 N10 B2 N8 -70.6(5) . . . .
C15 N8 B2 N12 128.6(4) . . . .
N7 N8 B2 N12 -56.4(4) . . . .
C15 N8 B2 N10 -112.1(4) . . . .
N7 N8 B2 N10 62.9(4) . . . .
