#------------------------------------------------------------------------------
#$Date: 2019-12-13 11:40:54 +0200 (Fri, 13 Dec 2019) $
#$Revision: 245058 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556562.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_1556562
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         'C24 H20 B2 Cl2 Dy1 N12 O4, C10 H10 Co1'
_chemical_formula_sum            'C34 H30 B2 Cl2 Co Dy N12 O4'
_chemical_formula_weight         984.65
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.7270(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.5145(3)
_cell_length_b                   19.2573(7)
_cell_length_c                   20.4459(7)
_cell_measurement_reflns_used    26658
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      3.04
_cell_volume                     3680.7(2)
_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      100
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_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  0.0420
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35359
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.455
_diffrn_reflns_theta_min         3.037
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.671
_exptl_absorpt_correction_T_max  0.766
_exptl_absorpt_correction_T_min  0.535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1948.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     505
_refine_ls_number_reflns         8390
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0192P)²+4.0217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0560
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7145
_reflns_number_total             8390
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            CrystalStructure_3.cif
_cod_data_source_block           150425mcwkDy
_cod_original_formula_sum        'C34 H30 B2 Cl2 Co1 Dy1 N12 O4'
_cod_database_code               1556562
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +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 0.46797(2) 0.06352(2) 0.73066(2) 0.01304(4) Uani 1 1 d . . . . .
Co1 Co 0.70801(4) 0.18762(2) 1.03586(2) 0.01835(8) Uani 1 1 d . . . . .
Cl1 Cl 0.12835(7) 0.27186(4) 0.75394(3) 0.02253(14) Uani 1 1 d . . . . .
Cl2 Cl 0.34530(8) 0.04524(4) 0.97555(3) 0.02454(15) Uani 1 1 d . . . . .
O1 O 0.40264(19) 0.05508(9) 0.83566(9) 0.0170(4) Uani 1 1 d . . . . .
O2 O 0.29205(18) 0.14299(9) 0.74273(8) 0.0156(4) Uani 1 1 d . . . . .
O3 O 0.0837(2) 0.26960(10) 0.89649(9) 0.0218(4) Uani 1 1 d . . . . .
O4 O 0.1918(2) 0.17714(11) 0.99187(9) 0.0263(5) Uani 1 1 d . . . . .
N1 N 0.2464(2) -0.00944(11) 0.71001(11) 0.0187(5) Uani 1 1 d . . . . .
N2 N 0.2007(2) -0.04383(12) 0.65112(12) 0.0221(5) Uani 1 1 d . . . . .
N3 N 0.3452(2) 0.09022(12) 0.61714(11) 0.0194(5) Uani 1 1 d . . . . .
N4 N 0.2806(3) 0.04163(12) 0.57314(11) 0.0221(5) Uani 1 1 d . . . . .
N5 N 0.5161(2) -0.04671(12) 0.67483(11) 0.0191(5) Uani 1 1 d . . . . .
N6 N 0.4353(3) -0.06277(12) 0.61432(11) 0.0228(5) Uani 1 1 d . . . . .
N7 N 0.5887(2) 0.17564(11) 0.76817(10) 0.0164(5) Uani 1 1 d . . . . .
N8 N 0.7344(2) 0.18146(12) 0.78714(10) 0.0162(5) Uani 1 1 d . . . . .
N9 N 0.6794(2) 0.08329(12) 0.67108(11) 0.0177(5) Uani 1 1 d . . . . .
N10 N 0.8124(2) 0.10217(11) 0.70468(11) 0.0166(5) Uani 1 1 d . . . . .
N11 N 0.6819(2) 0.02250(12) 0.80883(11) 0.0185(5) Uani 1 1 d . . . . .
N12 N 0.8098(2) 0.05612(12) 0.81930(11) 0.0172(5) Uani 1 1 d . . . . .
C1 C 0.3244(3) 0.10249(13) 0.85364(13) 0.0159(5) Uani 1 1 d . . . . .
C2 C 0.2674(3) 0.15593(13) 0.80068(12) 0.0153(5) Uani 1 1 d . . . . .
C3 C 0.1937(3) 0.21289(14) 0.81699(13) 0.0178(5) Uani 1 1 d . . . . .
C4 C 0.1571(3) 0.22230(14) 0.88060(13) 0.0171(5) Uani 1 1 d . . . . .
C5 C 0.2129(3) 0.16670(14) 0.93495(13) 0.0185(6) Uani 1 1 d . . . . .
C6 C 0.2873(3) 0.10802(14) 0.91566(13) 0.0177(5) Uani 1 1 d . . . . .
C7 C 0.1525(3) -0.02531(15) 0.74855(15) 0.0242(6) Uani 1 1 d . . . . .
H7 H 0.1572 -0.0087 0.7926 0.029 Uiso 1 1 calc R U . . .
C8 C 0.0464(3) -0.06956(16) 0.71571(18) 0.0326(8) Uani 1 1 d . . . . .
H8 H -0.0324 -0.0884 0.7322 0.039 Uiso 1 1 calc R U . . .
C9 C 0.0809(3) -0.07989(15) 0.65463(17) 0.0308(8) Uani 1 1 d . . . . .
H9 H 0.0290 -0.1079 0.6202 0.037 Uiso 1 1 calc R U . . .
C10 C 0.3022(3) 0.15194(15) 0.59074(14) 0.0217(6) Uani 1 1 d . . . . .
H10 H 0.3300 0.1954 0.6111 0.026 Uiso 1 1 calc R U . . .
C11 C 0.2114(3) 0.14410(16) 0.52946(14) 0.0264(7) Uani 1 1 d . . . . .
H11 H 0.1672 0.1796 0.5005 0.032 Uiso 1 1 calc R U . . .
C12 C 0.2001(3) 0.07390(16) 0.52036(14) 0.0282(7) Uani 1 1 d . . . . .
H12 H 0.1445 0.0514 0.4829 0.034 Uiso 1 1 calc R U . . .
C13 C 0.6385(3) -0.08161(14) 0.67826(15) 0.0245(6) Uani 1 1 d . . . . .
H13 H 0.7149 -0.0804 0.7155 0.029 Uiso 1 1 calc R U . . .
C14 C 0.6405(4) -0.11955(16) 0.62128(16) 0.0309(7) Uani 1 1 d . . . . .
H14 H 0.7150 -0.1484 0.6115 0.037 Uiso 1 1 calc R U . . .
C15 C 0.5103(4) -0.10612(16) 0.58193(15) 0.0330(8) Uani 1 1 d . . . . .
H15 H 0.4780 -0.1245 0.5386 0.040 Uiso 1 1 calc R U . . .
C16 C 0.5376(3) 0.24048(14) 0.76880(13) 0.0187(5) Uani 1 1 d . . . . .
H16 H 0.4391 0.2522 0.7577 0.022 Uiso 1 1 calc R U . . .
C17 C 0.6470(3) 0.28833(14) 0.78775(13) 0.0199(6) Uani 1 1 d . . . . .
H17 H 0.6388 0.3372 0.7921 0.024 Uiso 1 1 calc R U . . .
C18 C 0.7702(3) 0.24881(14) 0.79881(13) 0.0180(5) Uani 1 1 d . . . . .
H18 H 0.8646 0.2661 0.8124 0.022 Uiso 1 1 calc R U . . .
C19 C 0.6968(3) 0.07107(15) 0.60824(13) 0.0225(6) Uani 1 1 d . . . . .
H19 H 0.6226 0.0564 0.5732 0.027 Uiso 1 1 calc R U . . .
C20 C 0.8370(3) 0.08266(15) 0.60145(14) 0.0241(6) Uani 1 1 d . . . . .
H20 H 0.8761 0.0783 0.5621 0.029 Uiso 1 1 calc R U . . .
C21 C 0.9076(3) 0.10182(14) 0.66373(14) 0.0211(6) Uani 1 1 d . . . . .
H21 H 1.0063 0.1129 0.6757 0.025 Uiso 1 1 calc R U . . .
C22 C 0.6984(3) -0.03242(15) 0.84936(14) 0.0230(6) Uani 1 1 d . . . . .
H22 H 0.6252 -0.0650 0.8530 0.028 Uiso 1 1 calc R U . . .
C23 C 0.8379(3) -0.03559(16) 0.88569(14) 0.0246(6) Uani 1 1 d . . . . .
H23 H 0.8777 -0.0697 0.9173 0.029 Uiso 1 1 calc R U . . .
C24 C 0.9048(3) 0.02156(15) 0.86551(13) 0.0221(6) Uani 1 1 d . . . . .
H24 H 1.0015 0.0347 0.8813 0.026 Uiso 1 1 calc R U . . .
C25 C 0.6292(4) 0.20840(18) 0.93811(14) 0.0320(7) Uani 1 1 d . . . . .
H25 H 0.5301 0.2247 0.9193 0.038 Uiso 1 1 calc R U . . .
C26 C 0.6741(4) 0.13850(18) 0.94598(14) 0.0319(7) Uani 1 1 d . . . . .
H26 H 0.6126 0.0967 0.9336 0.038 Uiso 1 1 calc R U . . .
C27 C 0.8213(4) 0.1381(2) 0.97502(16) 0.0389(9) Uani 1 1 d . . . . .
H27 H 0.8824 0.0960 0.9865 0.047 Uiso 1 1 calc R U . . .
C28 C 0.8672(4) 0.2081(2) 0.98445(16) 0.0405(9) Uani 1 1 d . . . . .
H28 H 0.9661 0.2240 1.0041 0.049 Uiso 1 1 calc R U . . .
C29 C 0.7484(4) 0.2515(2) 0.96200(15) 0.0383(8) Uani 1 1 d . . . . .
H29 H 0.7483 0.3034 0.9629 0.046 Uiso 1 1 calc R U . . .
C30 C 0.7747(4) 0.15150(18) 1.12978(15) 0.0342(8) Uani 1 1 d . . . . .
H30 H 0.8615 0.1224 1.1454 0.041 Uiso 1 1 calc R U . . .
C31 C 0.7692(4) 0.22449(19) 1.12982(15) 0.0367(8) Uani 1 1 d . . . . .
H31 H 0.8517 0.2563 1.1454 0.044 Uiso 1 1 calc R U . . .
C32 C 0.6277(4) 0.24498(17) 1.10401(17) 0.0368(8) Uani 1 1 d . . . . .
H32 H 0.5925 0.2939 1.0979 0.044 Uiso 1 1 calc R U . . .
C33 C 0.5437(3) 0.18418(16) 1.08715(15) 0.0287(7) Uani 1 1 d . . . . .
H33 H 0.4393 0.1825 1.0675 0.034 Uiso 1 1 calc R U . . .
C34 C 0.6355(3) 0.12644(16) 1.10364(14) 0.0275(7) Uani 1 1 d . . . . .
H34 H 0.6073 0.0765 1.0973 0.033 Uiso 1 1 calc R U . . .
B1 B 0.2806(4) -0.03590(17) 0.59306(16) 0.0246(7) Uani 1 1 d . . . . .
H1 H 0.2308 -0.0637 0.5543 0.030 Uiso 1 1 calc R U . . .
B2 B 0.8366(3) 0.12144(16) 0.77905(15) 0.0169(6) Uani 1 1 d . . . . .
H2 H 0.9376 0.1372 0.7938 0.020 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)
;
Co Co 0.3494 0.9721
;
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
O2 Dy1 O1 68.21(6) . .
O2 Dy1 N3 74.68(7) . .
O1 Dy1 N3 136.02(7) . .
O2 Dy1 N11 131.84(7) . .
O1 Dy1 N11 73.33(7) . .
N3 Dy1 N11 150.37(8) . .
O2 Dy1 N5 144.09(7) . .
O1 Dy1 N5 117.51(7) . .
N3 Dy1 N5 80.83(7) . .
N11 Dy1 N5 79.90(7) . .
O2 Dy1 N7 72.32(7) . .
O1 Dy1 N7 87.95(7) . .
N3 Dy1 N7 102.72(7) . .
N11 Dy1 N7 78.55(7) . .
N5 Dy1 N7 139.76(7) . .
O2 Dy1 N1 77.64(7) . .
O1 Dy1 N1 75.96(7) . .
N3 Dy1 N1 73.75(8) . .
N11 Dy1 N1 119.74(7) . .
N5 Dy1 N1 70.46(7) . .
N7 Dy1 N1 149.50(7) . .
O2 Dy1 N9 126.78(7) . .
O1 Dy1 N9 143.91(6) . .
N3 Dy1 N9 78.27(7) . .
N11 Dy1 N9 74.36(7) . .
N5 Dy1 N9 71.45(7) . .
N7 Dy1 N9 70.20(7) . .
N1 Dy1 N9 135.49(7) . .
C31 Co1 C27 130.77(15) . .
C31 Co1 C30 40.55(14) . .
C27 Co1 C30 108.10(15) . .
C31 Co1 C34 68.39(13) . .
C27 Co1 C34 115.56(15) . .
C30 Co1 C34 40.80(13) . .
C31 Co1 C32 40.55(15) . .
C27 Co1 C32 169.98(15) . .
C30 Co1 C32 68.24(14) . .
C34 Co1 C32 68.27(13) . .
C31 Co1 C28 108.11(14) . .
C27 Co1 C28 40.87(16) . .
C30 Co1 C28 115.05(15) . .
C34 Co1 C28 147.44(15) . .
C32 Co1 C28 131.17(15) . .
C31 Co1 C26 170.14(15) . .
C27 Co1 C26 40.74(13) . .
C30 Co1 C26 131.52(14) . .
C34 Co1 C26 109.18(13) . .
C32 Co1 C26 148.49(15) . .
C28 Co1 C26 68.45(14) . .
C31 Co1 C29 115.46(14) . .
C27 Co1 C29 68.56(16) . .
C30 Co1 C29 147.00(14) . .
C34 Co1 C29 171.22(14) . .
C32 Co1 C29 109.05(15) . .
C28 Co1 C29 40.52(15) . .
C26 Co1 C29 68.41(14) . .
C31 Co1 C33 68.71(14) . .
C27 Co1 C33 147.73(15) . .
C30 Co1 C33 68.70(14) . .
C34 Co1 C33 40.66(12) . .
C32 Co1 C33 40.89(13) . .
C28 Co1 C33 170.65(15) . .
C26 Co1 C33 116.15(13) . .
C29 Co1 C33 131.98(14) . .
C31 Co1 C25 147.95(15) . .
C27 Co1 C25 68.40(14) . .
C30 Co1 C25 170.94(14) . .
C34 Co1 C25 132.20(13) . .
C32 Co1 C25 116.62(15) . .
C28 Co1 C25 68.23(14) . .
C26 Co1 C25 40.53(13) . .
C29 Co1 C25 40.65(13) . .
C33 Co1 C25 109.47(13) . .
C1 O1 Dy1 118.82(16) . .
C2 O2 Dy1 119.35(16) . .
C7 N1 N2 105.7(2) . .
C7 N1 Dy1 131.71(19) . .
N2 N1 Dy1 122.55(17) . .
C9 N2 N1 109.6(3) . .
C9 N2 B1 129.7(3) . .
N1 N2 B1 120.7(2) . .
C10 N3 N4 106.1(2) . .
C10 N3 Dy1 128.65(18) . .
N4 N3 Dy1 123.92(16) . .
C12 N4 N3 109.3(2) . .
C12 N4 B1 128.7(2) . .
N3 N4 B1 120.7(2) . .
C13 N5 N6 105.8(2) . .
C13 N5 Dy1 129.60(19) . .
N6 N5 Dy1 119.19(16) . .
C15 N6 N5 109.0(2) . .
C15 N6 B1 129.2(3) . .
N5 N6 B1 121.7(2) . .
C16 N7 N8 105.7(2) . .
C16 N7 Dy1 131.36(17) . .
N8 N7 Dy1 122.67(16) . .
C18 N8 N7 109.7(2) . .
C18 N8 B2 126.6(2) . .
N7 N8 B2 122.2(2) . .
C19 N9 N10 105.0(2) . .
C19 N9 Dy1 132.32(19) . .
N10 N9 Dy1 122.20(15) . .
C21 N10 N9 110.6(2) . .
C21 N10 B2 128.5(2) . .
N9 N10 B2 120.9(2) . .
C22 N11 N12 106.3(2) . .
C22 N11 Dy1 129.96(18) . .
N12 N11 Dy1 123.69(16) . .
C24 N12 N11 109.7(2) . .
C24 N12 B2 127.9(2) . .
N11 N12 B2 122.2(2) . .
O1 C1 C6 125.6(2) . .
O1 C1 C2 115.5(2) . .
C6 C1 C2 118.9(2) . .
O2 C2 C3 124.9(2) . .
O2 C2 C1 115.3(2) . .
C3 C2 C1 119.9(2) . .
C2 C3 C4 123.2(2) . .
C2 C3 Cl1 117.9(2) . .
C4 C3 Cl1 118.7(2) . .
O3 C4 C3 125.9(3) . .
O3 C4 C5 117.0(2) . .
C3 C4 C5 117.1(2) . .
O4 C5 C6 124.5(3) . .
O4 C5 C4 117.8(2) . .
C6 C5 C4 117.8(2) . .
C1 C6 C5 122.6(2) . .
C1 C6 Cl2 119.4(2) . .
C5 C6 Cl2 117.7(2) . .
N1 C7 C8 111.1(3) . .
N1 C7 H7 124.4 . .
C8 C7 H7 124.4 . .
C9 C8 C7 104.7(3) . .
C9 C8 H8 127.6 . .
C7 C8 H8 127.6 . .
N2 C9 C8 108.9(3) . .
N2 C9 H9 125.6 . .
C8 C9 H9 125.6 . .
N3 C10 C11 111.0(3) . .
N3 C10 H10 124.5 . .
C11 C10 H10 124.5 . .
C12 C11 C10 104.5(3) . .
C12 C11 H11 127.8 . .
C10 C11 H11 127.8 . .
N4 C12 C11 109.1(3) . .
N4 C12 H12 125.4 . .
C11 C12 H12 125.4 . .
N5 C13 C14 111.8(3) . .
N5 C13 H13 124.1 . .
C14 C13 H13 124.1 . .
C15 C14 C13 104.1(3) . .
C15 C14 H14 128.0 . .
C13 C14 H14 128.0 . .
N6 C15 C14 109.4(3) . .
N6 C15 H15 125.3 . .
C14 C15 H15 125.3 . .
N7 C16 C17 111.5(2) . .
N7 C16 H16 124.3 . .
C17 C16 H16 124.3 . .
C18 C17 C16 104.4(2) . .
C18 C17 H17 127.8 . .
C16 C17 H17 127.8 . .
N8 C18 C17 108.8(2) . .
N8 C18 H18 125.6 . .
C17 C18 H18 125.6 . .
N9 C19 C20 111.0(3) . .
N9 C19 H19 124.5 . .
C20 C19 H19 124.5 . .
C21 C20 C19 105.3(3) . .
C21 C20 H20 127.4 . .
C19 C20 H20 127.4 . .
N10 C21 C20 108.0(3) . .
N10 C21 H21 126.0 . .
C20 C21 H21 126.0 . .
N11 C22 C23 110.8(3) . .
N11 C22 H22 124.6 . .
C23 C22 H22 124.6 . .
C24 C23 C22 104.7(2) . .
C24 C23 H23 127.7 . .
C22 C23 H23 127.7 . .
N12 C24 C23 108.5(3) . .
N12 C24 H24 125.8 . .
C23 C24 H24 125.8 . .
C26 C25 C29 108.2(3) . .
C26 C25 Co1 69.70(17) . .
C29 C25 Co1 69.65(17) . .
C26 C25 H25 125.9 . .
C29 C25 H25 125.9 . .
Co1 C25 H25 125.9 . .
C25 C26 C27 107.9(3) . .
C25 C26 Co1 69.76(18) . .
C27 C26 Co1 69.29(17) . .
C25 C26 H26 126.0 . .
C27 C26 H26 126.0 . .
Co1 C26 H26 126.0 . .
C26 C27 C28 107.9(3) . .
C26 C27 Co1 69.97(18) . .
C28 C27 Co1 69.83(19) . .
C26 C27 H27 126.1 . .
C28 C27 H27 126.1 . .
Co1 C27 H27 126.1 . .
C29 C28 C27 108.1(3) . .
C29 C28 Co1 69.82(19) . .
C27 C28 Co1 69.30(19) . .
C29 C28 H28 126.0 . .
C27 C28 H28 126.0 . .
Co1 C28 H28 126.0 . .
C28 C29 C25 107.9(3) . .
C28 C29 Co1 69.66(19) . .
C25 C29 Co1 69.71(18) . .
C28 C29 H29 126.1 . .
C25 C29 H29 126.1 . .
Co1 C29 H29 126.1 . .
C31 C30 C34 108.0(3) . .
C31 C30 Co1 69.70(18) . .
C34 C30 Co1 69.79(17) . .
C31 C30 H30 126.0 . .
C34 C30 H30 126.0 . .
Co1 C30 H30 126.0 . .
C30 C31 C32 108.2(3) . .
C30 C31 Co1 69.75(18) . .
C32 C31 Co1 69.96(18) . .
C30 C31 H31 125.9 . .
C32 C31 H31 125.9 . .
Co1 C31 H31 125.9 . .
C31 C32 C33 108.4(3) . .
C31 C32 Co1 69.49(18) . .
C33 C32 Co1 69.71(17) . .
C31 C32 H32 125.8 . .
C33 C32 H32 125.8 . .
Co1 C32 H32 125.8 . .
C34 C33 C32 107.1(3) . .
C34 C33 Co1 69.50(17) . .
C32 C33 Co1 69.41(18) . .
C34 C33 H33 126.4 . .
C32 C33 H33 126.4 . .
Co1 C33 H33 126.4 . .
C33 C34 C30 108.3(3) . .
C33 C34 Co1 69.84(17) . .
C30 C34 Co1 69.41(17) . .
C33 C34 H34 125.8 . .
C30 C34 H34 125.8 . .
Co1 C34 H34 125.8 . .
N2 B1 N6 109.4(2) . .
N2 B1 N4 108.9(2) . .
N6 B1 N4 110.6(3) . .
N2 B1 H1 109.3 . .
N6 B1 H1 109.3 . .
N4 B1 H1 109.3 . .
N8 B2 N10 107.8(2) . .
N8 B2 N12 112.5(2) . .
N10 B2 N12 108.6(2) . .
N8 B2 H2 109.3 . .
N10 B2 H2 109.3 . .
N12 B2 H2 109.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O2 2.3148(18) .
Dy1 O1 2.3491(18) .
Dy1 N3 2.451(2) .
Dy1 N11 2.472(2) .
Dy1 N5 2.493(2) .
Dy1 N7 2.498(2) .
Dy1 N1 2.503(2) .
Dy1 N9 2.567(2) .
Co1 C31 2.029(3) .
Co1 C27 2.029(3) .
Co1 C30 2.030(3) .
Co1 C34 2.035(3) .
Co1 C32 2.035(3) .
Co1 C28 2.036(3) .
Co1 C26 2.039(3) .
Co1 C29 2.038(3) .
Co1 C33 2.039(3) .
Co1 C25 2.039(3) .
Cl1 C3 1.744(3) .
Cl2 C6 1.736(3) .
O1 C1 1.275(3) .
O2 C2 1.274(3) .
O3 C4 1.227(3) .
O4 C5 1.234(3) .
N1 C7 1.332(4) .
N1 N2 1.372(3) .
N2 C9 1.348(4) .
N2 B1 1.532(4) .
N3 C10 1.338(3) .
N3 N4 1.363(3) .
N4 C12 1.353(4) .
N4 B1 1.547(4) .
N5 C13 1.335(4) .
N5 N6 1.365(3) .
N6 C15 1.349(4) .
N6 B1 1.544(4) .
N7 C16 1.341(3) .
N7 N8 1.373(3) .
N8 C18 1.351(3) .
N8 B2 1.539(4) .
N9 C19 1.346(3) .
N9 N10 1.371(3) .
N10 C21 1.343(3) .
N10 B2 1.540(4) .
N11 C22 1.335(3) .
N11 N12 1.360(3) .
N12 C24 1.355(3) .
N12 B2 1.550(4) .
C1 C6 1.382(4) .
C1 C2 1.519(4) .
C2 C3 1.376(4) .
C3 C4 1.420(4) .
C4 C5 1.563(4) .
C5 C6 1.428(4) .
C7 C8 1.394(4) .
C7 H7 0.9500 .
C8 C9 1.364(5) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C11 1.392(4) .
C10 H10 0.9500 .
C11 C12 1.366(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.378(4) .
C13 H13 0.9500 .
C14 C15 1.370(5) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.390(4) .
C16 H16 0.9500 .
C17 C18 1.381(4) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.385(4) .
C19 H19 0.9500 .
C20 C21 1.375(4) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.396(4) .
C22 H22 0.9500 .
C23 C24 1.373(4) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.413(5) .
C25 C29 1.416(5) .
C25 H25 1.0000 .
C26 C27 1.416(5) .
C26 H26 1.0000 .
C27 C28 1.420(5) .
C27 H27 1.0000 .
C28 C29 1.411(5) .
C28 H28 1.0000 .
C29 H29 1.0000 .
C30 C31 1.407(5) .
C30 C34 1.417(5) .
C30 H30 1.0000 .
C31 C32 1.408(5) .
C31 H31 1.0000 .
C32 C33 1.423(5) .
C32 H32 1.0000 .
C33 C34 1.415(4) .
C33 H33 1.0000 .
C34 H34 1.0000 .
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
C7 N1 N2 C9 -0.1(3) . . . .
Dy1 N1 N2 C9 178.74(17) . . . .
C7 N1 N2 B1 177.9(2) . . . .
Dy1 N1 N2 B1 -3.3(3) . . . .
C10 N3 N4 C12 0.5(3) . . . .
Dy1 N3 N4 C12 168.3(2) . . . .
C10 N3 N4 B1 -167.7(3) . . . .
Dy1 N3 N4 B1 0.1(4) . . . .
C13 N5 N6 C15 -0.8(3) . . . .
Dy1 N5 N6 C15 155.6(2) . . . .
C13 N5 N6 B1 176.2(3) . . . .
Dy1 N5 N6 B1 -27.4(3) . . . .
C16 N7 N8 C18 -0.2(3) . . . .
Dy1 N7 N8 C18 174.27(16) . . . .
C16 N7 N8 B2 -167.1(2) . . . .
Dy1 N7 N8 B2 7.4(3) . . . .
C19 N9 N10 C21 0.3(3) . . . .
Dy1 N9 N10 C21 173.24(17) . . . .
C19 N9 N10 B2 179.3(2) . . . .
Dy1 N9 N10 B2 -7.8(3) . . . .
C22 N11 N12 C24 0.7(3) . . . .
Dy1 N11 N12 C24 179.05(17) . . . .
C22 N11 N12 B2 177.3(2) . . . .
Dy1 N11 N12 B2 -4.4(3) . . . .
Dy1 O1 C1 C6 -174.1(2) . . . .
Dy1 O1 C1 C2 6.8(3) . . . .
Dy1 O2 C2 C3 163.0(2) . . . .
Dy1 O2 C2 C1 -17.7(3) . . . .
O1 C1 C2 O2 7.0(3) . . . .
C6 C1 C2 O2 -172.1(2) . . . .
O1 C1 C2 C3 -173.7(2) . . . .
C6 C1 C2 C3 7.2(4) . . . .
O2 C2 C3 C4 174.0(2) . . . .
C1 C2 C3 C4 -5.2(4) . . . .
O2 C2 C3 Cl1 0.2(4) . . . .
C1 C2 C3 Cl1 -179.02(18) . . . .
C2 C3 C4 O3 -175.0(3) . . . .
Cl1 C3 C4 O3 -1.2(4) . . . .
C2 C3 C4 C5 3.9(4) . . . .
Cl1 C3 C4 C5 177.68(18) . . . .
O3 C4 C5 O4 -6.8(4) . . . .
C3 C4 C5 O4 174.3(2) . . . .
O3 C4 C5 C6 174.5(2) . . . .
C3 C4 C5 C6 -4.5(3) . . . .
O1 C1 C6 C5 172.7(3) . . . .
C2 C1 C6 C5 -8.3(4) . . . .
O1 C1 C6 Cl2 -1.8(4) . . . .
C2 C1 C6 Cl2 177.24(19) . . . .
O4 C5 C6 C1 -171.7(3) . . . .
C4 C5 C6 C1 7.0(4) . . . .
O4 C5 C6 Cl2 2.9(4) . . . .
C4 C5 C6 Cl2 -178.41(18) . . . .
N2 N1 C7 C8 0.0(3) . . . .
Dy1 N1 C7 C8 -178.62(18) . . . .
N1 C7 C8 C9 0.0(3) . . . .
N1 N2 C9 C8 0.1(3) . . . .
B1 N2 C9 C8 -177.7(3) . . . .
C7 C8 C9 N2 0.0(3) . . . .
N4 N3 C10 C11 -0.8(3) . . . .
Dy1 N3 C10 C11 -167.77(19) . . . .
N3 C10 C11 C12 0.7(4) . . . .
N3 N4 C12 C11 0.0(4) . . . .
B1 N4 C12 C11 166.9(3) . . . .
C10 C11 C12 N4 -0.4(4) . . . .
N6 N5 C13 C14 0.6(3) . . . .
Dy1 N5 C13 C14 -152.5(2) . . . .
N5 C13 C14 C15 -0.2(4) . . . .
N5 N6 C15 C14 0.7(4) . . . .
B1 N6 C15 C14 -176.0(3) . . . .
C13 C14 C15 N6 -0.3(4) . . . .
N8 N7 C16 C17 0.0(3) . . . .
Dy1 N7 C16 C17 -173.72(17) . . . .
N7 C16 C17 C18 0.1(3) . . . .
N7 N8 C18 C17 0.2(3) . . . .
B2 N8 C18 C17 166.4(2) . . . .
C16 C17 C18 N8 -0.2(3) . . . .
N10 N9 C19 C20 -0.7(3) . . . .
Dy1 N9 C19 C20 -172.67(18) . . . .
N9 C19 C20 C21 0.9(3) . . . .
N9 N10 C21 C20 0.3(3) . . . .
B2 N10 C21 C20 -178.6(3) . . . .
C19 C20 C21 N10 -0.7(3) . . . .
N12 N11 C22 C23 -1.0(3) . . . .
Dy1 N11 C22 C23 -179.24(19) . . . .
N11 C22 C23 C24 0.9(3) . . . .
N11 N12 C24 C23 -0.1(3) . . . .
B2 N12 C24 C23 -176.4(2) . . . .
C22 C23 C24 N12 -0.5(3) . . . .
C29 C25 C26 C27 0.2(4) . . . .
Co1 C25 C26 C27 -59.0(2) . . . .
C29 C25 C26 Co1 59.2(2) . . . .
C25 C26 C27 C28 -0.5(4) . . . .
Co1 C26 C27 C28 -59.8(2) . . . .
C25 C26 C27 Co1 59.3(2) . . . .
C26 C27 C28 C29 0.6(4) . . . .
Co1 C27 C28 C29 -59.2(2) . . . .
C26 C27 C28 Co1 59.9(2) . . . .
C27 C28 C29 C25 -0.5(4) . . . .
Co1 C28 C29 C25 -59.4(2) . . . .
C27 C28 C29 Co1 58.9(2) . . . .
C26 C25 C29 C28 0.2(4) . . . .
Co1 C25 C29 C28 59.4(2) . . . .
C26 C25 C29 Co1 -59.2(2) . . . .
C34 C30 C31 C32 0.1(4) . . . .
Co1 C30 C31 C32 59.6(2) . . . .
C34 C30 C31 Co1 -59.5(2) . . . .
C30 C31 C32 C33 -0.4(4) . . . .
Co1 C31 C32 C33 59.1(2) . . . .
C30 C31 C32 Co1 -59.5(2) . . . .
C31 C32 C33 C34 0.6(3) . . . .
Co1 C32 C33 C34 59.5(2) . . . .
C31 C32 C33 Co1 -58.9(2) . . . .
C32 C33 C34 C30 -0.5(3) . . . .
Co1 C33 C34 C30 58.9(2) . . . .
C32 C33 C34 Co1 -59.4(2) . . . .
C31 C30 C34 C33 0.3(4) . . . .
Co1 C30 C34 C33 -59.2(2) . . . .
C31 C30 C34 Co1 59.5(2) . . . .
C9 N2 B1 N6 -120.7(3) . . . .
N1 N2 B1 N6 61.7(3) . . . .
C9 N2 B1 N4 118.3(3) . . . .
N1 N2 B1 N4 -59.3(3) . . . .
C15 N6 B1 N2 132.4(3) . . . .
N5 N6 B1 N2 -43.9(3) . . . .
C15 N6 B1 N4 -107.6(3) . . . .
N5 N6 B1 N4 76.0(3) . . . .
C12 N4 B1 N2 -103.5(3) . . . .
N3 N4 B1 N2 62.1(3) . . . .
C12 N4 B1 N6 136.2(3) . . . .
N3 N4 B1 N6 -58.2(3) . . . .
C18 N8 B2 N10 -105.9(3) . . . .
N7 N8 B2 N10 58.6(3) . . . .
C18 N8 B2 N12 134.3(3) . . . .
N7 N8 B2 N12 -61.1(3) . . . .
C21 N10 B2 N8 121.8(3) . . . .
N9 N10 B2 N8 -56.9(3) . . . .
C21 N10 B2 N12 -116.0(3) . . . .
N9 N10 B2 N12 65.3(3) . . . .
C24 N12 B2 N8 -124.4(3) . . . .
N11 N12 B2 N8 59.7(3) . . . .
C24 N12 B2 N10 116.3(3) . . . .
N11 N12 B2 N10 -59.6(3) . . . .
