#------------------------------------------------------------------------------
#$Date: 2016-03-22 14:03:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178984 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/07/4120760.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_4120760
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            'C44 H50 Dy2 N6 O12'
_chemical_formula_weight         1179.90
_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                102.875(4)
_cell_angle_beta                 114.786(3)
_cell_angle_gamma                104.723(4)
_cell_formula_units_Z            1
_cell_length_a                   10.9716(10)
_cell_length_b                   11.0386(9)
_cell_length_c                   11.3570(10)
_cell_measurement_reflns_used    9845
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      36.36
_cell_measurement_theta_min      2.36
_cell_volume                     1119.56(18)
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0165
_diffrn_reflns_av_sigmaI/netI    0.0135
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            42508
_diffrn_reflns_theta_full        36.36
_diffrn_reflns_theta_max         36.36
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    3.380
_exptl_absorpt_correction_T_max  0.6872
_exptl_absorpt_correction_T_min  0.6311
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.349
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         10775
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0174
_refine_ls_R_factor_gt           0.0149
_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)+(0.0236P)²+0.3226P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0402
_refine_ls_wR_factor_ref         0.0420
_reflns_number_gt                10106
_reflns_number_total             10775
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja404846s_Ac.cif
_cod_data_source_block           mm112
_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        1119.56(17)
_cod_database_code               4120760
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
Dy1 Dy 0.698070(5) 0.577164(4) 0.541824(5) 0.01761(1) Uani 1 1 d .
N1 N 0.78745(11) 0.42583(11) 0.42371(11) 0.02380(16) Uani 1 1 d .
N2 N 0.69355(12) 0.61113(11) 0.32502(12) 0.02540(17) Uani 1 1 d .
N3 N 0.58288(12) 0.74202(10) 0.46912(11) 0.02506(17) Uani 1 1 d .
O2 O 0.77238(11) 0.45836(10) 0.66961(10) 0.02634(16) Uani 1 1 d .
O1 O 0.82705(14) 0.38511(13) 0.88786(12) 0.0375(2) Uani 1 1 d .
O3 O 0.53647(9) 0.58979(8) 0.62830(8) 0.01970(12) Uani 1 1 d .
O4 O 0.57357(12) 0.62292(11) 0.89517(10) 0.03089(18) Uani 1 1 d .
O5 O 0.84569(12) 0.76667(12) 0.76406(12) 0.0370(2) Uani 1 1 d .
O6 O 0.93279(12) 0.74647(13) 0.62273(13) 0.0414(3) Uani 1 1 d .
C1 C 0.79998(12) 0.34998(12) 0.66457(13) 0.02269(18) Uani 1 1 d .
C2 C 0.82679(14) 0.30377(13) 0.77796(14) 0.0272(2) Uani 1 1 d .
C3 C 0.84892(17) 0.18505(15) 0.77189(18) 0.0346(3) Uani 1 1 d .
H3A H 0.8646 0.1555 0.8475 0.042 Uiso 1 1 calc R
C4 C 0.84850(18) 0.10770(15) 0.65507(19) 0.0386(3) Uani 1 1 d .
H4A H 0.8607 0.0249 0.6504 0.046 Uiso 1 1 calc R
C5 C 0.83043(16) 0.15245(13) 0.54819(17) 0.0326(3) Uani 1 1 d .
H5A H 0.8329 0.1016 0.4704 0.039 Uiso 1 1 calc R
C6 C 0.80804(12) 0.27386(12) 0.55238(13) 0.02387(18) Uani 1 1 d .
C7 C 0.8724(2) 0.3551(2) 1.01120(19) 0.0473(4) Uani 1 1 d .
H7A H 0.8682 0.4205 1.0821 0.071 Uiso 1 1 calc R
H7B H 0.9726 0.3604 1.0471 0.071 Uiso 1 1 calc R
H7C H 0.8075 0.2637 0.9892 0.071 Uiso 1 1 calc R
C8 C 0.80705(13) 0.31996(13) 0.44267(13) 0.02540(19) Uani 1 1 d .
H8A H 0.8227 0.2660 0.3769 0.030 Uiso 1 1 calc R
C9 C 0.80466(15) 0.44952(15) 0.30781(14) 0.0291(2) Uani 1 1 d .
H9A H 0.7196 0.3827 0.2173 0.035 Uiso 1 1 calc R
H9B H 0.8935 0.4381 0.3140 0.035 Uiso 1 1 calc R
C10 C 0.81664(15) 0.59021(15) 0.31501(15) 0.0304(2) Uani 1 1 d .
H10A H 0.9101 0.6574 0.3978 0.036 Uiso 1 1 calc R
H10B H 0.8143 0.6018 0.2302 0.036 Uiso 1 1 calc R
C11 C 0.69143(18) 0.74300(15) 0.32240(17) 0.0346(3) Uani 1 1 d .
H11A H 0.6788 0.7488 0.2325 0.042 Uiso 1 1 calc R
H11B H 0.7848 0.8163 0.3993 0.042 Uiso 1 1 calc R
C12 C 0.56614(18) 0.75801(16) 0.33951(16) 0.0347(3) Uani 1 1 d .
H12A H 0.5655 0.8482 0.3428 0.042 Uiso 1 1 calc R
H12B H 0.4724 0.6887 0.2589 0.042 Uiso 1 1 calc R
C13 C 0.54636(14) 0.81829(12) 0.53896(14) 0.0260(2) Uani 1 1 d .
H13A H 0.5128 0.8804 0.5026 0.031 Uiso 1 1 calc R
C14 C 0.55255(11) 0.70711(10) 0.71080(12) 0.02045(16) Uani 1 1 d .
C15 C 0.55170(12) 0.81819(11) 0.66888(13) 0.02357(18) Uani 1 1 d .
C16 C 0.55216(15) 0.93409(12) 0.75078(16) 0.0304(2) Uani 1 1 d .
H16A H 0.5467 1.0058 0.7183 0.036 Uiso 1 1 calc R
C17 C 0.56036(17) 0.94600(14) 0.87772(17) 0.0356(3) Uani 1 1 d .
H17A H 0.5595 1.0245 0.9320 0.043 Uiso 1 1 calc R
C18 C 0.56988(15) 0.84090(14) 0.92444(15) 0.0317(2) Uani 1 1 d .
H18A H 0.5780 0.8487 1.0127 0.038 Uiso 1 1 calc R
C19 C 0.56768(13) 0.72475(12) 0.84398(12) 0.02411(18) Uani 1 1 d .
C20 C 0.7103(2) 0.6072(2) 0.93947(19) 0.0445(4) Uani 1 1 d .
H20A H 0.7078 0.5336 0.9745 0.067 Uiso 1 1 calc R
H20B H 0.7899 0.6914 1.0141 0.067 Uiso 1 1 calc R
H20C H 0.7264 0.5859 0.8600 0.067 Uiso 1 1 calc R
C21 C 0.94510(14) 0.80789(13) 0.73775(15) 0.0299(2) Uani 1 1 d .
C22 C 1.0807(2) 0.93079(19) 0.8434(2) 0.0512(5) Uani 1 1 d .
H22A H 1.1466 0.9490 0.8063 0.077 Uiso 1 1 calc R
H22B H 1.1294 0.9152 0.9299 0.077 Uiso 1 1 calc R
H22C H 1.0547 1.0085 0.8633 0.077 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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 97.74(3) . 2_666
O2 Dy1 O3 88.23(3) . .
O3 Dy1 O3 71.79(3) 2_666 .
O2 Dy1 O6 98.26(4) . .
O3 Dy1 O6 155.30(4) 2_666 .
O3 Dy1 O6 127.37(4) . .
O2 Dy1 O5 84.00(4) . .
O3 Dy1 O5 147.00(3) 2_666 .
O3 Dy1 O5 75.34(3) . .
O6 Dy1 O5 53.85(4) . .
O2 Dy1 N1 72.15(3) . .
O3 Dy1 N1 84.37(3) 2_666 .
O3 Dy1 N1 146.84(3) . .
O6 Dy1 N1 82.78(4) . .
O5 Dy1 N1 126.71(4) . .
O2 Dy1 N2 137.56(3) . .
O3 Dy1 N2 81.71(3) 2_666 .
O3 Dy1 N2 130.24(3) . .
O6 Dy1 N2 73.78(4) . .
O5 Dy1 N2 118.77(4) . .
N1 Dy1 N2 65.54(3) . .
O2 Dy1 N3 156.51(3) . .
O3 Dy1 N3 84.10(3) 2_666 .
O3 Dy1 N3 70.00(3) . .
O6 Dy1 N3 88.64(4) . .
O5 Dy1 N3 82.05(4) . .
N1 Dy1 N3 131.21(3) . .
N2 Dy1 N3 65.93(3) . .
O2 Dy1 C21 91.01(4) . .
O3 Dy1 C21 168.63(3) 2_666 .
O3 Dy1 C21 101.39(4) . .
O6 Dy1 C21 27.05(4) . .
O5 Dy1 C21 26.81(4) . .
N1 Dy1 C21 105.32(4) . .
N2 Dy1 C21 96.72(4) . .
N3 Dy1 C21 84.99(4) . .
O2 Dy1 Dy1 93.66(3) . 2_666
O3 Dy1 Dy1 36.02(2) 2_666 2_666
O3 Dy1 Dy1 35.77(2) . 2_666
O6 Dy1 Dy1 159.20(3) . 2_666
O5 Dy1 Dy1 111.07(3) . 2_666
N1 Dy1 Dy1 117.25(2) . 2_666
N2 Dy1 Dy1 108.13(2) . 2_666
N3 Dy1 Dy1 74.04(3) . 2_666
C21 Dy1 Dy1 136.51(3) . 2_666
C8 N1 C9 113.60(10) . .
C8 N1 Dy1 127.99(8) . .
C9 N1 Dy1 118.03(8) . .
C10 N2 C11 112.13(11) . .
C10 N2 Dy1 109.74(7) . .
C11 N2 Dy1 112.20(8) . .
C13 N3 C12 116.31(10) . .
C13 N3 Dy1 126.60(8) . .
C12 N3 Dy1 116.95(8) . .
C1 O2 Dy1 142.61(8) . .
C2 O1 C7 117.26(12) . .
C14 O3 Dy1 120.93(6) . 2_666
C14 O3 Dy1 121.80(7) . .
Dy1 O3 Dy1 108.21(3) 2_666 .
C19 O4 C20 113.30(12) . .
C21 O5 Dy1 92.44(9) . .
C21 O6 Dy1 93.06(8) . .
O2 C1 C6 123.35(10) . .
O2 C1 C2 120.05(11) . .
C6 C1 C2 116.59(10) . .
O1 C2 C3 124.34(12) . .
O1 C2 C1 114.53(10) . .
C3 C2 C1 121.13(13) . .
C2 C3 C4 120.73(13) . .
C5 C4 C3 119.58(12) . .
C4 C5 C6 120.62(14) . .
C1 C6 C5 121.16(12) . .
C1 C6 C8 122.55(10) . .
C5 C6 C8 116.08(12) . .
N1 C8 C6 127.48(11) . .
N1 C9 C10 109.94(11) . .
N2 C10 C9 108.75(10) . .
N2 C11 C12 108.39(11) . .
N3 C12 C11 109.08(11) . .
N3 C13 C15 125.71(10) . .
O3 C14 C19 121.27(10) . .
O3 C14 C15 122.28(10) . .
C19 C14 C15 116.44(10) . .
C16 C15 C14 120.82(12) . .
C16 C15 C13 116.43(11) . .
C14 C15 C13 122.73(10) . .
C17 C16 C15 121.26(12) . .
C16 C17 C18 118.65(11) . .
C19 C18 C17 120.86(13) . .
O4 C19 C18 117.74(12) . .
O4 C19 C14 120.46(10) . .
C18 C19 C14 121.73(12) . .
O5 C21 O6 120.64(12) . .
O5 C21 C22 120.04(15) . .
O6 C21 C22 119.33(15) . .
O5 C21 Dy1 60.75(7) . .
O6 C21 Dy1 59.89(7) . .
C22 C21 Dy1 178.69(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O2 2.2114(8) .
Dy1 O3 2.3633(8) 2_666
Dy1 O3 2.3775(8) .
Dy1 O6 2.4028(11) .
Dy1 O5 2.4222(11) .
Dy1 N1 2.5473(10) .
Dy1 N2 2.5542(11) .
Dy1 N3 2.5602(10) .
Dy1 C21 2.7736(13) .
Dy1 Dy1 3.8403(4) 2_666
N1 C8 1.2882(16) .
N1 C9 1.4741(16) .
N2 C10 1.4717(17) .
N2 C11 1.4685(17) .
N3 C13 1.2802(16) .
N3 C12 1.4618(18) .
O2 C1 1.3017(14) .
O1 C2 1.3640(18) .
O1 C7 1.4233(18) .
O3 C14 1.3381(13) .
O3 Dy1 2.3632(8) 2_666
O4 C19 1.3793(16) .
O4 C20 1.4396(19) .
O5 C21 1.2520(18) .
O6 C21 1.2631(19) .
C1 C6 1.4115(17) .
C1 C2 1.4341(17) .
C2 C3 1.3844(18) .
C3 C4 1.406(2) .
C4 C5 1.368(2) .
C5 C6 1.4168(17) .
C6 C8 1.4441(18) .
C9 C10 1.505(2) .
C11 C12 1.510(2) .
C13 C15 1.4522(18) .
C14 C19 1.4124(17) .
C14 C15 1.4116(16) .
C15 C16 1.4016(16) .
C16 C17 1.380(2) .
C17 C18 1.389(2) .
C18 C19 1.3868(17) .
C21 C22 1.498(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_4
O2 Dy1 N1 C8 17.92(10) . .
O3 Dy1 N1 C8 -82.09(11) 2_666 .
O3 Dy1 N1 C8 -38.56(14) . .
O6 Dy1 N1 C8 119.05(11) . .
O5 Dy1 N1 C8 85.78(11) . .
N2 Dy1 N1 C8 -165.53(12) . .
N3 Dy1 N1 C8 -159.17(10) . .
C21 Dy1 N1 C8 103.97(11) . .
Dy1 Dy1 N1 C8 -66.88(11) 2_666 .
O2 Dy1 N1 C9 -169.60(10) . .
O3 Dy1 N1 C9 90.39(9) 2_666 .
O3 Dy1 N1 C9 133.92(9) . .
O6 Dy1 N1 C9 -68.47(9) . .
O5 Dy1 N1 C9 -101.74(10) . .
N2 Dy1 N1 C9 6.95(9) . .
N3 Dy1 N1 C9 13.32(11) . .
C21 Dy1 N1 C9 -83.55(9) . .
Dy1 Dy1 N1 C9 105.60(9) 2_666 .
O2 Dy1 N2 C10 -29.07(11) . .
O3 Dy1 N2 C10 -121.50(9) 2_666 .
O3 Dy1 N2 C10 -179.03(8) . .
O6 Dy1 N2 C10 55.39(9) . .
O5 Dy1 N2 C10 86.01(9) . .
N1 Dy1 N2 C10 -33.95(8) . .
N3 Dy1 N2 C10 151.29(9) . .
C21 Dy1 N2 C10 69.86(9) . .
Dy1 Dy1 N2 C10 -146.30(8) 2_666 .
O2 Dy1 N2 C11 -154.43(9) . .
O3 Dy1 N2 C11 113.14(9) 2_666 .
O3 Dy1 N2 C11 55.61(10) . .
O6 Dy1 N2 C11 -69.97(10) . .
O5 Dy1 N2 C11 -39.35(10) . .
N1 Dy1 N2 C11 -159.31(10) . .
N3 Dy1 N2 C11 25.94(9) . .
C21 Dy1 N2 C11 -55.50(10) . .
Dy1 Dy1 N2 C11 88.34(9) 2_666 .
O2 Dy1 N3 C13 9.92(17) . .
O3 Dy1 N3 C13 105.76(11) 2_666 .
O3 Dy1 N3 C13 33.02(10) . .
O6 Dy1 N3 C13 -97.88(11) . .
O5 Dy1 N3 C13 -44.21(11) . .
N1 Dy1 N3 C13 -177.05(10) . .
N2 Dy1 N3 C13 -170.70(12) . .
C21 Dy1 N3 C13 -71.04(11) . .
Dy1 Dy1 N3 C13 70.46(11) 2_666 .
O2 Dy1 N3 C12 -174.65(10) . .
O3 Dy1 N3 C12 -78.81(10) 2_666 .
O3 Dy1 N3 C12 -151.55(11) . .
O6 Dy1 N3 C12 77.55(10) . .
O5 Dy1 N3 C12 131.22(10) . .
N1 Dy1 N3 C12 -1.62(12) . .
N2 Dy1 N3 C12 4.73(10) . .
C21 Dy1 N3 C12 104.40(11) . .
Dy1 Dy1 N3 C12 -114.10(10) 2_666 .
O3 Dy1 O2 C1 61.97(14) 2_666 .
O3 Dy1 O2 C1 133.33(14) . .
O6 Dy1 O2 C1 -99.14(14) . .
O5 Dy1 O2 C1 -151.22(14) . .
N1 Dy1 O2 C1 -19.52(13) . .
N2 Dy1 O2 C1 -24.19(16) . .
N3 Dy1 O2 C1 154.98(12) . .
C21 Dy1 O2 C1 -125.30(14) . .
Dy1 Dy1 O2 C1 97.96(13) 2_666 .
O2 Dy1 O3 C14 114.06(8) . .
O3 Dy1 O3 C14 -147.20(9) 2_666 .
O6 Dy1 O3 C14 15.01(10) . .
O5 Dy1 O3 C14 29.80(8) . .
N1 Dy1 O3 C14 166.62(8) . .
N2 Dy1 O3 C14 -85.69(9) . .
N3 Dy1 O3 C14 -56.94(8) . .
C21 Dy1 O3 C14 23.38(8) . .
Dy1 Dy1 O3 C14 -147.20(9) 2_666 .
O2 Dy1 O3 Dy1 -98.74(4) . 2_666
O3 Dy1 O3 Dy1 0.0 2_666 2_666
O6 Dy1 O3 Dy1 162.21(4) . 2_666
O5 Dy1 O3 Dy1 177.00(5) . 2_666
N1 Dy1 O3 Dy1 -46.18(7) . 2_666
N2 Dy1 O3 Dy1 61.51(5) . 2_666
N3 Dy1 O3 Dy1 90.26(4) . 2_666
C21 Dy1 O3 Dy1 170.59(4) . 2_666
O2 Dy1 O5 C21 104.31(9) . .
O3 Dy1 O5 C21 -160.71(7) 2_666 .
O3 Dy1 O5 C21 -165.95(9) . .
O6 Dy1 O5 C21 -0.50(8) . .
N1 Dy1 O5 C21 41.88(11) . .
N2 Dy1 O5 C21 -37.77(10) . .
N3 Dy1 O5 C21 -94.64(9) . .
Dy1 Dy1 O5 C21 -164.07(8) 2_666 .
O2 Dy1 O6 C21 -75.81(10) . .
O3 Dy1 O6 C21 154.31(8) 2_666 .
O3 Dy1 O6 C21 18.30(11) . .
O5 Dy1 O6 C21 0.49(8) . .
N1 Dy1 O6 C21 -146.50(10) . .
N2 Dy1 O6 C21 146.93(10) . .
N3 Dy1 O6 C21 81.64(9) . .
Dy1 Dy1 O6 C21 48.49(15) 2_666 .
Dy1 O2 C1 C6 11.1(2) . .
Dy1 O2 C1 C2 -170.06(10) . .
C7 O1 C2 C3 8.8(2) . .
C7 O1 C2 C1 -171.71(14) . .
O2 C1 C2 O1 -2.86(17) . .
C6 C1 C2 O1 176.02(11) . .
O2 C1 C2 C3 176.63(12) . .
C6 C1 C2 C3 -4.48(18) . .
O1 C2 C3 C4 -179.31(14) . .
C1 C2 C3 C4 1.3(2) . .
C2 C3 C4 C5 2.0(2) . .
C3 C4 C5 C6 -1.8(2) . .
O2 C1 C6 C5 -176.48(12) . .
C2 C1 C6 C5 4.67(17) . .
O2 C1 C6 C8 9.10(18) . .
C2 C1 C6 C8 -169.75(11) . .
C4 C5 C6 C1 -1.6(2) . .
C4 C5 C6 C8 173.12(13) . .
C9 N1 C8 C6 175.41(12) . .
Dy1 N1 C8 C6 -11.84(19) . .
C1 C6 C8 N1 -6.1(2) . .
C5 C6 C8 N1 179.26(13) . .
C8 N1 C9 C10 -166.23(11) . .
Dy1 N1 C9 C10 20.23(14) . .
C11 N2 C10 C9 -175.92(12) . .
Dy1 N2 C10 C9 58.68(12) . .
N1 C9 C10 N2 -51.71(14) . .
C10 N2 C11 C12 -177.54(12) . .
Dy1 N2 C11 C12 -53.51(14) . .
C13 N3 C12 C11 142.51(13) . .
Dy1 N3 C12 C11 -33.40(15) . .
N2 C11 C12 N3 56.68(16) . .
C12 N3 C13 C15 178.97(13) . .
Dy1 N3 C13 C15 -5.57(19) . .
Dy1 O3 C14 C19 93.31(11) 2_666 .
Dy1 O3 C14 C19 -123.55(9) . .
Dy1 O3 C14 C15 -85.06(11) 2_666 .
Dy1 O3 C14 C15 58.08(12) . .
O3 C14 C15 C16 172.70(11) . .
C19 C14 C15 C16 -5.74(16) . .
O3 C14 C15 C13 -5.59(17) . .
C19 C14 C15 C13 175.96(11) . .
N3 C13 C15 C16 160.51(13) . .
N3 C13 C15 C14 -21.1(2) . .
C14 C15 C16 C17 3.1(2) . .
C13 C15 C16 C17 -178.52(13) . .
C15 C16 C17 C18 0.7(2) . .
C16 C17 C18 C19 -1.5(2) . .
C20 O4 C19 C18 -109.25(14) . .
C20 O4 C19 C14 73.84(15) . .
C17 C18 C19 O4 -178.28(13) . .
C17 C18 C19 C14 -1.4(2) . .
O3 C14 C19 O4 3.28(17) . .
C15 C14 C19 O4 -178.26(10) . .
O3 C14 C19 C18 -173.50(11) . .
C15 C14 C19 C18 4.96(17) . .
Dy1 O5 C21 O6 0.89(15) . .
Dy1 O5 C21 C22 -178.80(13) . .
Dy1 O6 C21 O5 -0.90(15) . .
Dy1 O6 C21 C22 178.80(13) . .
O2 Dy1 C21 O5 -74.54(9) . .
O3 Dy1 C21 O5 65.9(2) 2_666 .
O3 Dy1 C21 O5 13.86(9) . .
O6 Dy1 C21 O5 179.11(15) . .
N1 Dy1 C21 O5 -146.30(9) . .
N2 Dy1 C21 O5 147.28(9) . .
N3 Dy1 C21 O5 82.27(9) . .
Dy1 Dy1 C21 O5 21.85(11) 2_666 .
O2 Dy1 C21 O6 106.35(10) . .
O3 Dy1 C21 O6 -113.22(19) 2_666 .
O3 Dy1 C21 O6 -165.25(9) . .
O5 Dy1 C21 O6 -179.11(15) . .
N1 Dy1 C21 O6 34.59(10) . .
N2 Dy1 C21 O6 -31.84(10) . .
N3 Dy1 C21 O6 -96.84(10) . .
Dy1 Dy1 C21 O6 -157.26(8) 2_666 .
O2 Dy1 C21 C22 53(6) . .
O3 Dy1 C21 C22 -167(5) 2_666 .
O3 Dy1 C21 C22 141(6) . .
O6 Dy1 C21 C22 -54(6) . .
O5 Dy1 C21 C22 127(6) . .
N1 Dy1 C21 C22 -19(6) . .
N2 Dy1 C21 C22 -85(6) . .
N3 Dy1 C21 C22 -150(6) . .
Dy1 Dy1 C21 C22 149(6) 2_666 .
