#------------------------------------------------------------------------------
#$Date: 2016-03-22 14:03:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178984 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/07/4120762.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_4120762
loop_
_publ_author_name
'Fatemah Habib'
'Gabriel Brunet'
'Veacheslav Vieru'
'Ilia Korobkov'
'Liviu F. Chibotaru'
'Muralee Murugesu'
_publ_section_title
;
 Significant Enhancement of Energy Barriers in Dinuclear Dysprosium
 Single-Molecule Magnets Through Electron-Withdrawing Effects
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13242
_journal_page_last               13245
_journal_paper_doi               10.1021/ja404846s
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C22.25 H25 Cl2 Dy N3 O6.25'
_chemical_formula_weight         667.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.122(2)
_cell_angle_beta                 109.199(2)
_cell_angle_gamma                118.713(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1610(6)
_cell_length_b                   11.5902(6)
_cell_length_c                   12.2363(7)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      3.02
_cell_volume                     1242.30(13)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0141
_diffrn_reflns_av_sigmaI/netI    0.0160
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16397
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    3.266
_exptl_absorpt_correction_T_max  0.9375
_exptl_absorpt_correction_T_min  0.2920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             659
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.384
_refine_diff_density_min         -0.830
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         6054
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0202
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0283P)²+0.7816P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0466
_refine_ls_wR_factor_ref         0.0476
_reflns_number_gt                5745
_reflns_number_total             6054
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja404846s_AcCl2.cif
_cod_data_source_block           mm251
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1242.30(12)
_cod_database_code               4120762
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.696559(9) 0.531577(9) 0.567947(8) 0.01862(4) Uani 1 1 d . . .
Cl1 Cl 1.27586(8) 0.82770(9) 0.89317(8) 0.0598(2) Uani 1 1 d . . .
Cl2 Cl 1.07752(15) 0.68770(17) 1.00242(9) 0.0976(4) Uani 1 1 d . . .
O2 O 0.77487(18) 0.67974(16) 0.47103(15) 0.0270(3) Uani 1 1 d . . .
O1 O 0.8222(2) 0.90550(18) 0.40723(18) 0.0372(4) Uani 1 1 d . . .
O3 O 0.54923(16) 0.61848(15) 0.59047(13) 0.0204(3) Uani 1 1 d . . .
O4 O 0.60339(19) 0.88471(17) 0.63212(16) 0.0332(4) Uani 1 1 d . . .
O5 O 0.95170(19) 0.60268(19) 0.71203(16) 0.0379(4) Uani 1 1 d . . .
O6 O 0.87542(19) 0.73701(19) 0.75533(16) 0.0351(4) Uani 1 1 d . . .
N1 N 0.7756(2) 0.4354(2) 0.42945(17) 0.0259(4) Uani 1 1 d . . .
N2 N 0.6798(2) 0.3095(2) 0.59044(18) 0.0277(4) Uani 1 1 d . . .
H2A H 0.5862 0.2360 0.5302 0.033 Uiso 1 1 calc R . .
N3 N 0.5885(2) 0.4388(2) 0.71819(18) 0.0283(4) Uani 1 1 d . . .
C2 C 0.8012(2) 0.6911(2) 0.3748(2) 0.0249(4) Uani 1 1 d . . .
C4 C 0.8237(3) 0.8087(3) 0.3345(2) 0.0310(5) Uani 1 1 d . . .
C5 C 0.8446(3) 0.8193(3) 0.2307(2) 0.0396(6) Uani 1 1 d . . .
H5A H 0.8566 0.8970 0.2049 0.047 Uiso 1 1 calc R . .
C6 C 0.8485(3) 0.7176(3) 0.1624(3) 0.0439(6) Uani 1 1 d . . .
H6A H 0.8609 0.7252 0.0897 0.053 Uiso 1 1 calc R . .
C7 C 0.8342(3) 0.6075(3) 0.2010(2) 0.0381(6) Uani 1 1 d . . .
H7A H 0.8400 0.5398 0.1559 0.046 Uiso 1 1 calc R . .
C8 C 0.8111(2) 0.5922(3) 0.3065(2) 0.0281(4) Uani 1 1 d . . .
C9 C 0.8044(2) 0.4752(2) 0.3425(2) 0.0288(5) Uani 1 1 d . . .
H9A H 0.8239 0.4212 0.2957 0.035 Uiso 1 1 calc R . .
C11 C 0.7821(3) 0.3134(3) 0.4427(2) 0.0327(5) Uani 1 1 d . . .
H11B H 0.8699 0.3226 0.4316 0.039 Uiso 1 1 calc R . .
H11A H 0.6887 0.2285 0.3788 0.039 Uiso 1 1 calc R . .
C12 C 0.7970(3) 0.3005(3) 0.5670(2) 0.0340(5) Uani 1 1 d . . .
H12A H 0.7842 0.2105 0.5704 0.041 Uiso 1 1 calc R . .
H12B H 0.8991 0.3759 0.6302 0.041 Uiso 1 1 calc R . .
C14 C 0.6841(3) 0.2912(3) 0.7080(2) 0.0375(6) Uani 1 1 d . . .
H14A H 0.7853 0.3627 0.7749 0.045 Uiso 1 1 calc R . .
H14B H 0.6651 0.1986 0.7086 0.045 Uiso 1 1 calc R . .
C15 C 0.5639(3) 0.3044(3) 0.7264(3) 0.0385(6) Uani 1 1 d . . .
H15A H 0.4622 0.2282 0.6633 0.046 Uiso 1 1 calc R . .
H15B H 0.5687 0.2975 0.8075 0.046 Uiso 1 1 calc R . .
C17 C 0.5570(3) 0.4977(3) 0.7883(2) 0.0302(5) Uani 1 1 d . . .
H17A H 0.5224 0.4515 0.8416 0.036 Uiso 1 1 calc R . .
C18 C 0.5691(2) 0.6290(2) 0.7941(2) 0.0267(4) Uani 1 1 d . . .
C19 C 0.5738(3) 0.6964(3) 0.8993(2) 0.0353(5) Uani 1 1 d . . .
H19A H 0.5652 0.6532 0.9606 0.042 Uiso 1 1 calc R . .
C20 C 0.5719(2) 0.6869(2) 0.69862(19) 0.0227(4) Uani 1 1 d . . .
C21 C 0.5954(2) 0.8198(2) 0.7199(2) 0.0273(4) Uani 1 1 d . . .
C23 C 0.6032(3) 0.8851(3) 0.8258(2) 0.0359(6) Uani 1 1 d . . .
H23A H 0.6175 0.9740 0.8371 0.043 Uiso 1 1 calc R . .
C24 C 0.5904(3) 0.8229(3) 0.9157(2) 0.0409(6) Uani 1 1 d . . .
H24A H 0.5931 0.8671 0.9873 0.049 Uiso 1 1 calc R . .
C25 C 1.1070(3) 0.7860(3) 0.9043(2) 0.0419(6) Uani 1 1 d . . .
H25A H 1.1162 0.8740 0.9377 0.050 Uiso 1 1 calc R . .
C26 C 0.9683(2) 0.7023(2) 0.7802(2) 0.0266(4) Uani 1 1 d . . .
C29 C 0.8557(4) 1.0295(3) 0.3765(3) 0.0488(7) Uani 1 1 d . . .
H29A H 0.8521 1.0911 0.4350 0.073 Uiso 1 1 calc R . .
H29B H 0.7806 1.0061 0.2940 0.073 Uiso 1 1 calc R . .
H29C H 0.9573 1.0766 0.3794 0.073 Uiso 1 1 calc R . .
C30 C 0.7475(4) 0.9438(3) 0.6277(3) 0.0514(8) Uani 1 1 d . . .
H30A H 0.7476 0.9885 0.5641 0.077 Uiso 1 1 calc R . .
H30B H 0.7647 0.8703 0.6090 0.077 Uiso 1 1 calc R . .
H30C H 0.8284 1.0128 0.7069 0.077 Uiso 1 1 calc R . .
O7 O 0.9924(15) 0.9985(15) 0.9228(12) 0.083(3) Uiso 0.25 1 d PD A -1
H7B H 0.9920 0.9257 0.9217 0.124 Uiso 0.25 1 calc PR A -1
C31 C 1.045(2) 1.0626(19) 1.0150(17) 0.083(3) Uiso 0.25 1 d PD A -1
H31A H 1.1342 1.1519 1.0282 0.124 Uiso 0.25 1 calc PR A -1
H31B H 1.0755 1.0166 1.0703 0.124 Uiso 0.25 1 calc PR A -1
H31C H 0.9724 1.0781 1.0313 0.124 Uiso 0.25 1 calc PR A -1
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'
Cl Cl 0.1484 0.1585 '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
O2 Dy1 O3 95.24(6) . 2_666
O2 Dy1 O3 87.18(5) . .
O3 Dy1 O3 72.88(5) 2_666 .
O2 Dy1 O5 95.30(7) . .
O3 Dy1 O5 156.74(6) 2_666 .
O3 Dy1 O5 128.33(5) . .
O2 Dy1 O6 85.06(6) . .
O3 Dy1 O6 149.02(5) 2_666 .
O3 Dy1 O6 76.20(5) . .
O5 Dy1 O6 52.80(6) . .
O2 Dy1 N1 73.16(6) . .
O3 Dy1 N1 84.59(5) 2_666 .
O3 Dy1 N1 148.62(5) . .
O5 Dy1 N1 78.73(6) . .
O6 Dy1 N1 124.55(6) . .
O2 Dy1 N2 139.06(6) . .
O3 Dy1 N2 84.66(6) 2_666 .
O3 Dy1 N2 130.83(6) . .
O5 Dy1 N2 73.83(6) . .
O6 Dy1 N2 115.01(6) . .
N1 Dy1 N2 66.06(6) . .
O2 Dy1 N3 154.97(6) . .
O3 Dy1 N3 88.12(6) 2_666 .
O3 Dy1 N3 70.09(6) . .
O5 Dy1 N3 91.02(7) . .
O6 Dy1 N3 79.57(7) . .
N1 Dy1 N3 131.87(6) . .
N2 Dy1 N3 65.92(6) . .
O2 Dy1 C26 91.43(7) . .
O3 Dy1 C26 171.40(6) 2_666 .
O3 Dy1 C26 102.11(6) . .
O5 Dy1 C26 26.43(6) . .
O6 Dy1 C26 26.43(6) . .
N1 Dy1 C26 102.58(6) . .
N2 Dy1 C26 93.85(7) . .
N3 Dy1 C26 83.55(7) . .
O2 Dy1 Dy1 91.47(4) . 2_666
O3 Dy1 Dy1 36.66(3) 2_666 2_666
O3 Dy1 Dy1 36.22(3) . 2_666
O5 Dy1 Dy1 162.84(4) . 2_666
O6 Dy1 Dy1 112.40(4) . 2_666
N1 Dy1 Dy1 118.37(4) . 2_666
N2 Dy1 Dy1 110.54(4) . 2_666
N3 Dy1 Dy1 76.52(4) . 2_666
C26 Dy1 Dy1 137.93(5) . 2_666
C2 O2 Dy1 142.26(14) . .
C4 O1 C29 116.8(2) . .
C20 O3 Dy1 120.85(12) . 2_666
C20 O3 Dy1 123.90(12) . .
Dy1 O3 Dy1 107.12(5) 2_666 .
C21 O4 C30 112.5(2) . .
C26 O5 Dy1 92.22(13) . .
C26 O6 Dy1 90.91(14) . .
C9 N1 C11 113.76(19) . .
C9 N1 Dy1 127.97(15) . .
C11 N1 Dy1 118.17(15) . .
C14 N2 C12 111.64(19) . .
C14 N2 Dy1 113.07(15) . .
C12 N2 Dy1 110.97(14) . .
C17 N3 C15 116.3(2) . .
C17 N3 Dy1 127.48(17) . .
C15 N3 Dy1 116.24(15) . .
O2 C2 C8 123.1(2) . .
O2 C2 C4 120.3(2) . .
C8 C2 C4 116.6(2) . .
O1 C4 C5 124.3(2) . .
O1 C4 C2 114.6(2) . .
C5 C4 C2 121.2(2) . .
C4 C5 C6 121.1(3) . .
C7 C6 C5 119.3(2) . .
C6 C7 C8 121.2(3) . .
C7 C8 C2 120.5(2) . .
C7 C8 C9 116.8(2) . .
C2 C8 C9 122.7(2) . .
N1 C9 C8 128.1(2) . .
N1 C11 C12 110.39(19) . .
N2 C12 C11 109.14(19) . .
N2 C14 C15 108.5(2) . .
N3 C15 C14 109.3(2) . .
N3 C17 C18 125.9(2) . .
C19 C18 C20 120.2(2) . .
C19 C18 C17 116.9(2) . .
C20 C18 C17 122.9(2) . .
C24 C19 C18 121.6(3) . .
O3 C20 C18 122.3(2) . .
O3 C20 C21 120.7(2) . .
C18 C20 C21 117.0(2) . .
O4 C21 C23 118.2(2) . .
O4 C21 C20 120.38(19) . .
C23 C21 C20 121.3(2) . .
C21 C23 C24 121.0(2) . .
C19 C24 C23 118.7(2) . .
C26 C25 Cl2 108.0(2) . .
C26 C25 Cl1 111.85(18) . .
Cl2 C25 Cl1 110.26(16) . .
O6 C26 O5 123.8(2) . .
O6 C26 C25 116.6(2) . .
O5 C26 C25 119.5(2) . .
O6 C26 Dy1 62.66(12) . .
O5 C26 Dy1 61.36(11) . .
C25 C26 Dy1 173.26(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O2 2.1894(16) .
Dy1 O3 2.3466(14) 2_666
Dy1 O3 2.3716(14) .
Dy1 O5 2.4555(16) .
Dy1 O6 2.4839(17) .
Dy1 N1 2.5335(18) .
Dy1 N2 2.5411(19) .
Dy1 N3 2.574(2) .
Dy1 C26 2.796(2) .
Dy1 Dy1 3.7957(3) 2_666
Cl1 C25 1.764(3) .
Cl2 C25 1.743(4) .
O2 C2 1.309(3) .
O1 C4 1.367(3) .
O1 C29 1.428(3) .
O3 C20 1.344(2) .
O3 Dy1 2.3466(14) 2_666
O4 C21 1.378(3) .
O4 C30 1.437(3) .
O5 C26 1.245(3) .
O6 C26 1.245(3) .
N1 C9 1.279(3) .
N1 C11 1.473(3) .
N2 C14 1.465(3) .
N2 C12 1.474(3) .
N3 C17 1.277(3) .
N3 C15 1.468(3) .
C2 C8 1.415(3) .
C2 C4 1.435(3) .
C4 C5 1.373(4) .
C5 C6 1.397(4) .
C6 C7 1.365(4) .
C7 C8 1.411(3) .
C8 C9 1.445(3) .
C11 C12 1.507(4) .
C14 C15 1.504(4) .
C17 C18 1.453(3) .
C18 C19 1.405(3) .
C18 C20 1.409(3) .
C19 C24 1.369(4) .
C20 C21 1.411(3) .
C21 C23 1.384(3) .
C23 C24 1.388(4) .
C25 C26 1.530(3) .
O7 C31 1.066(15) .
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_4
O3 Dy1 O2 C2 -64.0(2) 2_666 .
O3 Dy1 O2 C2 -136.5(2) . .
O5 Dy1 O2 C2 95.3(2) . .
O6 Dy1 O2 C2 147.1(2) . .
N1 Dy1 O2 C2 18.8(2) . .
N2 Dy1 O2 C2 23.9(3) . .
N3 Dy1 O2 C2 -160.8(2) . .
C26 Dy1 O2 C2 121.5(2) . .
Dy1 Dy1 O2 C2 -100.5(2) 2_666 .
O2 Dy1 O3 C20 -115.06(16) . .
O3 Dy1 O3 C20 148.58(19) 2_666 .
O5 Dy1 O3 C20 -20.52(18) . .
O6 Dy1 O3 C20 -29.45(16) . .
N1 Dy1 O3 C20 -165.42(15) . .
N2 Dy1 O3 C20 81.84(17) . .
N3 Dy1 O3 C20 54.27(16) . .
C26 Dy1 O3 C20 -24.20(17) . .
Dy1 Dy1 O3 C20 148.57(19) 2_666 .
O2 Dy1 O3 Dy1 96.37(6) . 2_666
O3 Dy1 O3 Dy1 0.0 2_666 2_666
O5 Dy1 O3 Dy1 -169.10(7) . 2_666
O6 Dy1 O3 Dy1 -178.03(8) . 2_666
N1 Dy1 O3 Dy1 46.01(13) . 2_666
N2 Dy1 O3 Dy1 -66.74(9) . 2_666
N3 Dy1 O3 Dy1 -94.30(7) . 2_666
C26 Dy1 O3 Dy1 -172.77(6) . 2_666
O2 Dy1 O5 C26 82.49(15) . .
O3 Dy1 O5 C26 -160.86(14) 2_666 .
O3 Dy1 O5 C26 -8.10(18) . .
O6 Dy1 O5 C26 2.81(14) . .
N1 Dy1 O5 C26 154.12(16) . .
N2 Dy1 O5 C26 -137.78(16) . .
N3 Dy1 O5 C26 -73.25(16) . .
Dy1 Dy1 O5 C26 -30.4(3) 2_666 .
O2 Dy1 O6 C26 -103.31(15) . .
O3 Dy1 O6 C26 164.73(13) 2_666 .
O3 Dy1 O6 C26 168.39(16) . .
O5 Dy1 O6 C26 -2.81(14) . .
N1 Dy1 O6 C26 -37.68(18) . .
N2 Dy1 O6 C26 39.47(17) . .
N3 Dy1 O6 C26 96.53(15) . .
Dy1 Dy1 O6 C26 167.13(13) 2_666 .
O2 Dy1 N1 C9 -12.59(18) . .
O3 Dy1 N1 C9 84.57(19) 2_666 .
O3 Dy1 N1 C9 40.9(2) . .
O5 Dy1 N1 C9 -111.73(19) . .
O6 Dy1 N1 C9 -84.1(2) . .
N2 Dy1 N1 C9 171.1(2) . .
N3 Dy1 N1 C9 167.15(17) . .
C26 Dy1 N1 C9 -100.25(19) . .
Dy1 Dy1 N1 C9 69.77(19) 2_666 .
O2 Dy1 N1 C11 171.33(17) . .
O3 Dy1 N1 C11 -91.51(16) 2_666 .
O3 Dy1 N1 C11 -135.20(15) . .
O5 Dy1 N1 C11 72.19(16) . .
O6 Dy1 N1 C11 99.85(16) . .
N2 Dy1 N1 C11 -4.97(15) . .
N3 Dy1 N1 C11 -8.93(19) . .
C26 Dy1 N1 C11 83.67(16) . .
Dy1 Dy1 N1 C11 -106.31(15) 2_666 .
O2 Dy1 N2 C14 152.46(15) . .
O3 Dy1 N2 C14 -115.69(16) 2_666 .
O3 Dy1 N2 C14 -53.82(18) . .
O5 Dy1 N2 C14 73.26(16) . .
O6 Dy1 N2 C14 39.35(18) . .
N1 Dy1 N2 C14 157.87(17) . .
N3 Dy1 N2 C14 -25.36(16) . .
C26 Dy1 N2 C14 55.82(17) . .
Dy1 Dy1 N2 C14 -89.25(16) 2_666 .
O2 Dy1 N2 C12 26.1(2) . .
O3 Dy1 N2 C12 117.98(15) 2_666 .
O3 Dy1 N2 C12 179.85(13) . .
O5 Dy1 N2 C12 -53.07(15) . .
O6 Dy1 N2 C12 -86.98(16) . .
N1 Dy1 N2 C12 31.55(15) . .
N3 Dy1 N2 C12 -151.69(17) . .
C26 Dy1 N2 C12 -70.51(16) . .
Dy1 Dy1 N2 C12 144.42(14) 2_666 .
O2 Dy1 N3 C17 -3.5(3) . .
O3 Dy1 N3 C17 -101.9(2) 2_666 .
O3 Dy1 N3 C17 -29.40(19) . .
O5 Dy1 N3 C17 101.4(2) . .
O6 Dy1 N3 C17 49.57(19) . .
N1 Dy1 N3 C17 177.12(17) . .
N2 Dy1 N3 C17 173.1(2) . .
C26 Dy1 N3 C17 76.0(2) . .
Dy1 Dy1 N3 C17 -66.69(19) 2_666 .
O2 Dy1 N3 C15 178.17(16) . .
O3 Dy1 N3 C15 79.79(17) 2_666 .
O3 Dy1 N3 C15 152.25(18) . .
O5 Dy1 N3 C15 -76.96(17) . .
O6 Dy1 N3 C15 -128.78(17) . .
N1 Dy1 N3 C15 -1.2(2) . .
N2 Dy1 N3 C15 -5.20(16) . .
C26 Dy1 N3 C15 -102.36(17) . .
Dy1 Dy1 N3 C15 114.96(17) 2_666 .
Dy1 O2 C2 C8 -14.4(4) . .
Dy1 O2 C2 C4 166.40(17) . .
C29 O1 C4 C5 -4.7(4) . .
C29 O1 C4 C2 175.3(2) . .
O2 C2 C4 O1 2.9(3) . .
C8 C2 C4 O1 -176.3(2) . .
O2 C2 C4 C5 -177.0(2) . .
C8 C2 C4 C5 3.8(3) . .
O1 C4 C5 C6 178.4(2) . .
C2 C4 C5 C6 -1.6(4) . .
C4 C5 C6 C7 -1.3(4) . .
C5 C6 C7 C8 1.9(4) . .
C6 C7 C8 C2 0.4(4) . .
C6 C7 C8 C9 -177.3(2) . .
O2 C2 C8 C7 177.7(2) . .
C4 C2 C8 C7 -3.1(3) . .
O2 C2 C8 C9 -4.8(3) . .
C4 C2 C8 C9 174.4(2) . .
C11 N1 C9 C8 -178.5(2) . .
Dy1 N1 C9 C8 5.3(3) . .
C7 C8 C9 N1 -175.4(2) . .
C2 C8 C9 N1 7.0(4) . .
C9 N1 C11 C12 161.9(2) . .
Dy1 N1 C11 C12 -21.4(2) . .
C14 N2 C12 C11 177.4(2) . .
Dy1 N2 C12 C11 -55.5(2) . .
N1 C11 C12 N2 50.2(3) . .
C12 N2 C14 C15 178.9(2) . .
Dy1 N2 C14 C15 53.0(2) . .
C17 N3 C15 C14 -144.8(2) . .
Dy1 N3 C15 C14 33.7(3) . .
N2 C14 C15 N3 -56.4(3) . .
C15 N3 C17 C18 -178.6(2) . .
Dy1 N3 C17 C18 3.1(3) . .
N3 C17 C18 C19 -161.4(2) . .
N3 C17 C18 C20 20.4(4) . .
C20 C18 C19 C24 -4.0(4) . .
C17 C18 C19 C24 177.7(2) . .
Dy1 O3 C20 C18 87.7(2) 2_666 .
Dy1 O3 C20 C18 -56.8(2) . .
Dy1 O3 C20 C21 -90.4(2) 2_666 .
Dy1 O3 C20 C21 125.07(17) . .
C19 C18 C20 O3 -171.75(19) . .
C17 C18 C20 O3 6.3(3) . .
C19 C18 C20 C21 6.5(3) . .
C17 C18 C20 C21 -175.4(2) . .
C30 O4 C21 C23 105.8(3) . .
C30 O4 C21 C20 -77.5(3) . .
O3 C20 C21 O4 -3.4(3) . .
C18 C20 C21 O4 178.35(19) . .
O3 C20 C21 C23 173.2(2) . .
C18 C20 C21 C23 -5.0(3) . .
O4 C21 C23 C24 177.7(2) . .
C20 C21 C23 C24 1.0(4) . .
C18 C19 C24 C23 -0.2(4) . .
C21 C23 C24 C19 1.7(4) . .
Dy1 O6 C26 O5 5.3(3) . .
Dy1 O6 C26 C25 -172.5(2) . .
Dy1 O5 C26 O6 -5.4(3) . .
Dy1 O5 C26 C25 172.4(2) . .
Cl2 C25 C26 O6 102.4(2) . .
Cl1 C25 C26 O6 -136.1(2) . .
Cl2 C25 C26 O5 -75.5(3) . .
Cl1 C25 C26 O5 46.0(3) . .
Cl2 C25 C26 Dy1 20.1(16) . .
Cl1 C25 C26 Dy1 141.5(14) . .
O2 Dy1 C26 O6 75.89(15) . .
O3 Dy1 C26 O6 -65.0(4) 2_666 .
O3 Dy1 C26 O6 -11.53(16) . .
O5 Dy1 C26 O6 175.0(2) . .
N1 Dy1 C26 O6 148.95(15) . .
N2 Dy1 C26 O6 -144.74(15) . .
N3 Dy1 C26 O6 -79.52(15) . .
Dy1 Dy1 C26 O6 -17.89(19) 2_666 .
O2 Dy1 C26 O5 -99.07(15) . .
O3 Dy1 C26 O5 120.0(4) 2_666 .
O3 Dy1 C26 O5 173.51(15) . .
O6 Dy1 C26 O5 -175.0(2) . .
N1 Dy1 C26 O5 -26.01(16) . .
N2 Dy1 C26 O5 40.30(16) . .
N3 Dy1 C26 O5 105.52(16) . .
Dy1 Dy1 C26 O5 167.14(12) 2_666 .
O2 Dy1 C26 C25 161.7(15) . .
O3 Dy1 C26 C25 20.8(17) 2_666 .
O3 Dy1 C26 C25 74.3(15) . .
O5 Dy1 C26 C25 -99.2(15) . .
O6 Dy1 C26 C25 85.8(15) . .
N1 Dy1 C26 C25 -125.2(15) . .
N2 Dy1 C26 C25 -58.9(15) . .
N3 Dy1 C26 C25 6.3(15) . .
Dy1 Dy1 C26 C25 67.9(15) 2_666 .
