#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/03/2230394.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2230394
loop_
_publ_author_name
'Xu, Xuebin'
'Ding, Shuai'
'Shen, Si'
'Tang, Jinkui'
'Liu, Zhiliang'
_publ_section_title
;
 Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6-methoxyphenolato)bis[dinitratodysprosium(III)]
 methanol disolvate
;
_journal_coeditor_code           JJ2083
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m796
_journal_page_last               m797
_journal_paper_doi               10.1107/S1600536811019118
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Dy2 (C15 H12 N3 O2 S)2 (N O3)4], 2C H4 O'
_chemical_formula_moiety         'C30 H24 Dy2 N10 O16 S2, 2(C H4 O)'
_chemical_formula_sum            'C32 H32 Dy2 N10 O18 S2'
_chemical_formula_weight         1233.82
_chemical_name_systematic
;
Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6-
methoxyphenolato)bis[dinitratodysprosium(III)] methanol disolvate
;
_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                112.0450(10)
_cell_angle_beta                 105.0650(10)
_cell_angle_gamma                93.1540(10)
_cell_formula_units_Z            1
_cell_length_a                   9.6191(6)
_cell_length_b                   10.1002(7)
_cell_length_c                   11.6151(8)
_cell_measurement_reflns_used    3776
_cell_measurement_temperature    159(2)
_cell_measurement_theta_max      25.11
_cell_measurement_theta_min      2.3
_cell_volume                     995.23(12)
_computing_cell_refinement       'CrystalClear (Rigaku, 2002)'
_computing_data_collection       'CrystalClear (Rigaku, 2002)'
_computing_data_reduction        'CrystalClear (Rigaku, 2002)'
_computing_molecular_graphics
'DIAMOND (Brandenburg & Putz, 2006) and XP (Siemens, 1994)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      159(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Rigaku Saturn CCD area-detector'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5083
_diffrn_reflns_theta_full        25.13
_diffrn_reflns_theta_max         25.13
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    3.922
_exptl_absorpt_correction_T_max  0.676
_exptl_absorpt_correction_T_min  0.631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrystalClear; Rigaku, 2002)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.059
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             602
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.831
_refine_diff_density_min         -0.509
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         3502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0249
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0289P)²+0.1270P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0574
_reflns_number_gt                3162
_reflns_number_total             3502
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jj2083.cif
_cod_data_source_block           I
_cod_database_code               2230394
_cod_database_fobs_code          2230394
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.5488(5) -0.1481(6) 1.3423(4) 0.0419(12) Uani d . 1 1 . .
H H1A 0.4829 -0.0989 1.3895 0.063 Uiso calc R 1 1 . .
H H1B 0.6488 -0.0946 1.3876 0.063 Uiso calc R 1 1 . .
H H1C 0.5453 -0.2468 1.3387 0.063 Uiso calc R 1 1 . .
C C2 0.3550(4) -0.2085(4) 1.1420(4) 0.0262(9) Uani d . 1 1 . .
C C3 0.2744(5) -0.3007(5) 1.1704(4) 0.0328(10) Uani d . 1 1 . .
H H3 0.3194 -0.3323 1.2363 0.039 Uiso calc R 1 1 . .
C C4 0.1277(5) -0.3481(5) 1.1034(4) 0.0349(10) Uani d . 1 1 . .
H H4 0.0711 -0.4143 1.1208 0.042 Uiso calc R 1 1 . .
C C5 0.0654(4) -0.2974(5) 1.0113(4) 0.0314(10) Uani d . 1 1 . .
H H5 -0.0365 -0.3263 0.9677 0.038 Uiso calc R 1 1 . .
C C6 0.1455(4) -0.2054(4) 0.9789(4) 0.0259(9) Uani d . 1 1 . .
C C7 0.2972(4) -0.1615(4) 1.0421(4) 0.0237(8) Uani d . 1 1 . .
C C8 0.0613(4) -0.1613(5) 0.8805(4) 0.0308(10) Uani d . 1 1 . .
H H8 -0.0395 -0.2025 0.8423 0.037 Uiso calc R 1 1 . .
C C9 0.0364(4) 0.0701(5) 0.7244(4) 0.0285(9) Uani d . 1 1 . .
C C10 0.1564(4) 0.2767(4) 0.7467(4) 0.0265(9) Uani d . 1 1 . .
C C11 0.2636(4) 0.3998(5) 0.7988(4) 0.0309(10) Uani d . 1 1 . .
H H11 0.3530 0.4075 0.8617 0.037 Uiso calc R 1 1 . .
C C12 0.2378(5) 0.5099(5) 0.7573(4) 0.0335(10) Uani d . 1 1 . .
H H12 0.3112 0.5930 0.7904 0.040 Uiso calc R 1 1 . .
C C13 0.1059(5) 0.5011(5) 0.6680(4) 0.0354(10) Uani d . 1 1 . .
H H13 0.0902 0.5791 0.6421 0.042 Uiso calc R 1 1 . .
C C14 -0.0026(5) 0.3818(5) 0.6163(4) 0.0335(10) Uani d . 1 1 . .
H H14 -0.0930 0.3764 0.5557 0.040 Uiso calc R 1 1 . .
C C15 0.0251(4) 0.2701(5) 0.6558(4) 0.0284(9) Uani d . 1 1 . .
C C16 0.2951(6) 0.3287(6) 0.4354(5) 0.0540(14) Uani d . 1 1 . .
H H16A 0.2585 0.3862 0.3858 0.081 Uiso calc R 1 1 . .
H H16C 0.3978 0.3682 0.4862 0.081 Uiso calc R 1 1 . .
H H16B 0.2374 0.3326 0.4945 0.081 Uiso calc R 1 1 . .
Dy Dy1 0.358298(18) 0.05304(2) 0.890365(17) 0.02346(8) Uani d . 1 1 . .
N N4 0.1097(3) -0.0726(4) 0.8405(3) 0.0283(8) Uani d . 1 1 . .
N N5 0.1632(3) 0.1587(4) 0.7829(3) 0.0274(8) Uani d . 1 1 . .
N N6 0.3542(4) 0.3093(4) 1.1063(3) 0.0345(9) Uani d . 1 1 . .
N N7 0.3601(4) -0.1898(4) 0.6517(3) 0.0327(8) Uani d . 1 1 . .
N N9 0.0038(3) -0.0478(4) 0.7456(3) 0.0327(8) Uani d . 1 1 . .
H H9 -0.0802 -0.1070 0.7020 0.039 Uiso calc R 1 1 . .
O O1 0.5034(3) -0.1543(3) 1.2102(3) 0.0291(6) Uani d . 1 1 . .
O O2 0.3863(3) -0.0823(3) 1.0113(2) 0.0249(6) Uani d . 1 1 . .
O O3 0.2717(3) 0.1897(3) 1.0724(3) 0.0340(7) Uani d . 1 1 . .
O O4 0.4335(3) 0.3079(3) 1.0330(3) 0.0337(7) Uani d . 1 1 . .
O O5 0.3585(4) 0.4152(4) 1.2012(3) 0.0574(10) Uani d . 1 1 . .
O O6 0.2613(3) -0.1127(3) 0.6575(3) 0.0371(7) Uani d . 1 1 . .
O O7 0.3620(4) -0.2850(4) 0.5512(3) 0.0580(10) Uani d . 1 1 . .
O O8 0.4579(3) -0.1600(3) 0.7589(3) 0.0416(8) Uani d . 1 1 . .
O O9 0.2828(3) 0.1836(4) 0.3486(3) 0.0452(8) Uani d . 1 1 . .
H H9A 0.3398 0.1790 0.3038 0.068 Uiso calc R 1 1 . .
S S1 -0.09430(11) 0.11034(12) 0.61321(10) 0.0315(2) Uani d . 1 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'
Dy Dy -0.1892 4.4098 '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'
S S 0.1246 0.1234 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 C1 H1A . . 109.5 ?
O1 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
O1 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
C3 C2 O1 . . 122.0(4) ?
C3 C2 C7 . . 123.2(4) ?
O1 C2 C7 . . 114.8(3) ?
C2 C3 C4 . . 120.1(4) ?
C2 C3 H3 . . 120.0 ?
C4 C3 H3 . . 120.0 ?
C5 C4 C3 . . 118.5(4) ?
C5 C4 H4 . . 120.8 ?
C3 C4 H4 . . 120.8 ?
C4 C5 C6 . . 122.6(4) ?
C4 C5 H5 . . 118.7 ?
C6 C5 H5 . . 118.7 ?
C5 C6 C7 . . 119.6(4) ?
C5 C6 C8 . . 115.0(4) ?
C7 C6 C8 . . 125.3(4) ?
O2 C7 C2 . . 119.8(3) ?
O2 C7 C6 . . 124.3(3) ?
C2 C7 C6 . . 115.8(3) ?
N4 C8 C6 . . 126.1(4) ?
N4 C8 H8 . . 117.0 ?
C6 C8 H8 . . 117.0 ?
N5 C9 N9 . . 123.9(4) ?
N5 C9 S1 . . 117.3(3) ?
N9 C9 S1 . . 118.8(3) ?
C11 C10 C15 . . 119.0(4) ?
C11 C10 N5 . . 125.8(3) ?
C15 C10 N5 . . 115.2(4) ?
C12 C11 C10 . . 118.9(4) ?
C12 C11 H11 . . 120.6 ?
C10 C11 H11 . . 120.6 ?
C11 C12 C13 . . 120.9(4) ?
C11 C12 H12 . . 119.5 ?
C13 C12 H12 . . 119.5 ?
C14 C13 C12 . . 121.5(4) ?
C14 C13 H13 . . 119.3 ?
C12 C13 H13 . . 119.3 ?
C13 C14 C15 . . 117.4(4) ?
C13 C14 H14 . . 121.3 ?
C15 C14 H14 . . 121.3 ?
C14 C15 C10 . . 122.3(4) ?
C14 C15 S1 . . 127.6(3) ?
C10 C15 S1 . . 109.9(3) ?
O9 C16 H16A . . 109.5 ?
O9 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
O9 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
H16C C16 H16B . . 109.5 ?
O2 Dy1 O2 . 2_657 73.96(10) ?
O2 Dy1 O1 . 2_657 139.27(9) ?
O2 Dy1 O1 2_657 2_657 68.12(9) ?
O2 Dy1 O4 . . 109.76(9) ?
O2 Dy1 O4 2_657 . 74.78(9) ?
O1 Dy1 O4 2_657 . 74.29(10) ?
O2 Dy1 O3 . . 76.56(10) ?
O2 Dy1 O3 2_657 . 103.27(9) ?
O1 Dy1 O3 2_657 . 125.83(10) ?
O4 Dy1 O3 . . 52.63(10) ?
O2 Dy1 N4 . . 75.53(10) ?
O2 Dy1 N4 2_657 . 149.07(10) ?
O1 Dy1 N4 2_657 . 138.80(10) ?
O4 Dy1 N4 . . 121.11(11) ?
O3 Dy1 N4 . . 74.17(11) ?
O2 Dy1 O6 . . 108.45(10) ?
O2 Dy1 O6 2_657 . 116.45(9) ?
O1 Dy1 O6 2_657 . 76.95(10) ?
O4 Dy1 O6 . . 141.79(10) ?
O3 Dy1 O6 . . 139.92(10) ?
N4 Dy1 O6 . . 69.16(10) ?
O2 Dy1 N5 . . 139.17(10) ?
O2 Dy1 N5 2_657 . 144.17(10) ?
O1 Dy1 N5 2_657 . 81.46(10) ?
O4 Dy1 N5 . . 79.22(10) ?
O3 Dy1 N5 . . 79.08(10) ?
N4 Dy1 N5 . . 66.52(11) ?
O6 Dy1 N5 . . 72.05(10) ?
O2 Dy1 O8 . . 77.32(10) ?
O2 Dy1 O8 2_657 . 70.22(9) ?
O1 Dy1 O8 2_657 . 76.42(10) ?
O4 Dy1 O8 . . 140.65(10) ?
O3 Dy1 O8 . . 153.86(10) ?
N4 Dy1 O8 . . 98.23(11) ?
O6 Dy1 O8 . . 50.52(9) ?
N5 Dy1 O8 . . 121.51(10) ?
O2 Dy1 Dy1 . 2_657 37.86(6) ?
O2 Dy1 Dy1 2_657 2_657 36.10(6) ?
O1 Dy1 Dy1 2_657 2_657 103.10(6) ?
O4 Dy1 Dy1 . 2_657 92.27(7) ?
O3 Dy1 Dy1 . 2_657 90.23(7) ?
N4 Dy1 Dy1 . 2_657 113.24(8) ?
O6 Dy1 Dy1 . 2_657 118.59(7) ?
N5 Dy1 Dy1 . 2_657 169.00(8) ?
O8 Dy1 Dy1 . 2_657 69.47(6) ?
C8 N4 N9 . . 114.2(3) ?
C8 N4 Dy1 . . 131.6(3) ?
N9 N4 Dy1 . . 114.1(2) ?
C9 N5 C10 . . 109.1(3) ?
C9 N5 Dy1 . . 113.1(3) ?
C10 N5 Dy1 . . 136.6(2) ?
O5 N6 O3 . . 122.4(4) ?
O5 N6 O4 . . 122.6(4) ?
O3 N6 O4 . . 115.0(3) ?
O7 N7 O6 . . 122.5(4) ?
O7 N7 O8 . . 122.2(4) ?
O6 N7 O8 . . 115.2(3) ?
C9 N9 N4 . . 117.0(3) ?
C9 N9 H9 . . 121.5 ?
N4 N9 H9 . . 121.5 ?
C2 O1 C1 . . 114.9(3) ?
C2 O1 Dy1 . 2_657 116.7(2) ?
C1 O1 Dy1 . 2_657 127.7(2) ?
C7 O2 Dy1 . . 136.2(2) ?
C7 O2 Dy1 . 2_657 117.7(2) ?
Dy1 O2 Dy1 . 2_657 106.04(10) ?
N6 O3 Dy1 . . 95.9(2) ?
N6 O4 Dy1 . . 96.3(2) ?
N7 O6 Dy1 . . 98.6(2) ?
N7 O8 Dy1 . . 95.6(2) ?
C16 O9 H9A . . 109.5 ?
C9 S1 C15 . . 88.36(19) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 . 1.459(5) ?
C1 H1A . 0.9800 ?
C1 H1B . 0.9800 ?
C1 H1C . 0.9800 ?
C2 C3 . 1.364(6) ?
C2 O1 . 1.402(4) ?
C2 C7 . 1.410(5) ?
C3 C4 . 1.379(6) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.370(6) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.390(5) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.412(5) ?
C6 C8 . 1.451(5) ?
C7 O2 . 1.342(4) ?
C8 N4 . 1.270(5) ?
C8 H8 . 0.9500 ?
C9 N5 . 1.320(5) ?
C9 N9 . 1.340(5) ?
C9 S1 . 1.738(4) ?
C10 C11 . 1.395(6) ?
C10 C15 . 1.399(5) ?
C10 N5 . 1.405(5) ?
C11 C12 . 1.379(6) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.388(6) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.376(6) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.384(6) ?
C14 H14 . 0.9500 ?
C15 S1 . 1.752(4) ?
C16 O9 . 1.410(6) ?
C16 H16A . 0.9800 ?
C16 H16C . 0.9800 ?
C16 H16B . 0.9800 ?
Dy1 O2 . 2.280(3) y
Dy1 O2 2_657 2.374(2) y
Dy1 O1 2_657 2.394(3) y
Dy1 O4 . 2.422(3) y
Dy1 O3 . 2.433(3) y
Dy1 N4 . 2.461(3) y
Dy1 O6 . 2.471(3) y
Dy1 N5 . 2.494(3) y
Dy1 O8 . 2.530(3) y
Dy1 Dy1 2_657 3.7184(4) ?
N4 N9 . 1.402(4) ?
N6 O5 . 1.203(5) ?
N6 O3 . 1.273(5) ?
N6 O4 . 1.279(4) ?
N7 O7 . 1.208(5) ?
N7 O6 . 1.261(4) ?
N7 O8 . 1.266(4) ?
N9 H9 . 0.8800 ?
O1 Dy1 2_657 2.394(3) ?
O2 Dy1 2_657 2.374(2) ?
O9 H9A . 0.8400 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O9 H9A O3 1_554 0.84 2.64 3.206(4) 126
O9 H9A O8 2_656 0.84 2.24 3.049(4) 161
N9 H9 O9 2_556 0.88 1.91 2.751(4) 160
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C2 C3 C4 . . . . 178.1(4) ?
C7 C2 C3 C4 . . . . -2.5(7) ?
C2 C3 C4 C5 . . . . -1.7(6) ?
C3 C4 C5 C6 . . . . 2.8(7) ?
C4 C5 C6 C7 . . . . 0.2(6) ?
C4 C5 C6 C8 . . . . -179.3(4) ?
C3 C2 C7 O2 . . . . -173.5(4) ?
O1 C2 C7 O2 . . . . 6.0(5) ?
C3 C2 C7 C6 . . . . 5.3(6) ?
O1 C2 C7 C6 . . . . -175.2(3) ?
C5 C6 C7 O2 . . . . 174.7(4) ?
C8 C6 C7 O2 . . . . -6.0(6) ?
C5 C6 C7 C2 . . . . -4.1(6) ?
C8 C6 C7 C2 . . . . 175.3(4) ?
C5 C6 C8 N4 . . . . 176.4(4) ?
C7 C6 C8 N4 . . . . -3.0(7) ?
C15 C10 C11 C12 . . . . -1.1(6) ?
N5 C10 C11 C12 . . . . -176.9(4) ?
C10 C11 C12 C13 . . . . 1.8(6) ?
C11 C12 C13 C14 . . . . -1.0(7) ?
C12 C13 C14 C15 . . . . -0.5(6) ?
C13 C14 C15 C10 . . . . 1.2(6) ?
C13 C14 C15 S1 . . . . 176.6(3) ?
C11 C10 C15 C14 . . . . -0.5(6) ?
N5 C10 C15 C14 . . . . 175.8(4) ?
C11 C10 C15 S1 . . . . -176.5(3) ?
N5 C10 C15 S1 . . . . -0.2(4) ?
C6 C8 N4 N9 . . . . -179.2(4) ?
C6 C8 N4 Dy1 . . . . 4.8(7) ?
O2 Dy1 N4 C8 . . . . 0.1(4) ?
O2 Dy1 N4 C8 2_657 . . . 9.7(5) ?
O1 Dy1 N4 C8 2_657 . . . 153.4(3) ?
O4 Dy1 N4 C8 . . . . -104.5(4) ?
O3 Dy1 N4 C8 . . . . -79.8(4) ?
O6 Dy1 N4 C8 . . . . 116.7(4) ?
N5 Dy1 N4 C8 . . . . -164.5(4) ?
O8 Dy1 N4 C8 . . . . 74.6(4) ?
Dy1 Dy1 N4 C8 2_657 . . . 3.5(4) ?
O2 Dy1 N4 N9 . . . . -176.0(3) ?
O2 Dy1 N4 N9 2_657 . . . -166.4(2) ?
O1 Dy1 N4 N9 2_657 . . . -22.7(3) ?
O4 Dy1 N4 N9 . . . . 79.4(3) ?
O3 Dy1 N4 N9 . . . . 104.2(3) ?
O6 Dy1 N4 N9 . . . . -59.4(3) ?
N5 Dy1 N4 N9 . . . . 19.4(2) ?
O8 Dy1 N4 N9 . . . . -101.4(3) ?
Dy1 Dy1 N4 N9 2_657 . . . -172.6(2) ?
N9 C9 N5 C10 . . . . -175.2(4) ?
S1 C9 N5 C10 . . . . 5.1(4) ?
N9 C9 N5 Dy1 . . . . 15.4(5) ?
S1 C9 N5 Dy1 . . . . -164.29(19) ?
C11 C10 N5 C9 . . . . 173.0(4) ?
C15 C10 N5 C9 . . . . -3.0(5) ?
C11 C10 N5 Dy1 . . . . -21.3(6) ?
C15 C10 N5 Dy1 . . . . 162.7(3) ?
O2 Dy1 N5 C9 . . . . -40.9(3) ?
O2 Dy1 N5 C9 2_657 . . . 167.3(2) ?
O1 Dy1 N5 C9 2_657 . . . 135.7(3) ?
O4 Dy1 N5 C9 . . . . -148.7(3) ?
O3 Dy1 N5 C9 . . . . -95.1(3) ?
N4 Dy1 N5 C9 . . . . -17.7(3) ?
O6 Dy1 N5 C9 . . . . 56.8(3) ?
O8 Dy1 N5 C9 . . . . 67.5(3) ?
Dy1 Dy1 N5 C9 2_657 . . . -108.9(4) ?
O2 Dy1 N5 C10 . . . . 153.8(3) ?
O2 Dy1 N5 C10 2_657 . . . 2.0(5) ?
O1 Dy1 N5 C10 2_657 . . . -29.6(4) ?
O4 Dy1 N5 C10 . . . . 46.0(4) ?
O3 Dy1 N5 C10 . . . . 99.6(4) ?
N4 Dy1 N5 C10 . . . . 177.0(4) ?
O6 Dy1 N5 C10 . . . . -108.5(4) ?
O8 Dy1 N5 C10 . . . . -97.8(4) ?
Dy1 Dy1 N5 C10 2_657 . . . 85.8(5) ?
N5 C9 N9 N4 . . . . 3.2(6) ?
S1 C9 N9 N4 . . . . -177.1(3) ?
C8 N4 N9 C9 . . . . 162.8(4) ?
Dy1 N4 N9 C9 . . . . -20.4(4) ?
C3 C2 O1 C1 . . . . -25.7(5) ?
C7 C2 O1 C1 . . . . 154.9(4) ?
C3 C2 O1 Dy1 . . . 2_657 162.7(3) ?
C7 C2 O1 Dy1 . . . 2_657 -16.7(4) ?
C2 C7 O2 Dy1 . . . . -167.5(3) ?
C6 C7 O2 Dy1 . . . . 13.8(6) ?
C2 C7 O2 Dy1 . . . 2_657 7.9(5) ?
C6 C7 O2 Dy1 . . . 2_657 -170.8(3) ?
O2 Dy1 O2 C7 2_657 . . . 175.7(4) ?
O1 Dy1 O2 C7 2_657 . . . -162.4(3) ?
O4 Dy1 O2 C7 . . . . 108.9(3) ?
O3 Dy1 O2 C7 . . . . 67.4(3) ?
N4 Dy1 O2 C7 . . . . -9.4(3) ?
O6 Dy1 O2 C7 . . . . -71.2(3) ?
N5 Dy1 O2 C7 . . . . 12.5(4) ?
O8 Dy1 O2 C7 . . . . -111.5(3) ?
Dy1 Dy1 O2 C7 2_657 . . . 175.7(4) ?
O2 Dy1 O2 Dy1 2_657 . . 2_657 0.0 ?
O1 Dy1 O2 Dy1 2_657 . . 2_657 21.83(19) ?
O4 Dy1 O2 Dy1 . . . 2_657 -66.82(12) ?
O3 Dy1 O2 Dy1 . . . 2_657 -108.32(12) ?
N4 Dy1 O2 Dy1 . . . 2_657 174.87(13) ?
O6 Dy1 O2 Dy1 . . . 2_657 113.12(11) ?
N5 Dy1 O2 Dy1 . . . 2_657 -163.24(12) ?
O8 Dy1 O2 Dy1 . . . 2_657 72.77(11) ?
O5 N6 O3 Dy1 . . . . -175.9(4) ?
O4 N6 O3 Dy1 . . . . 3.2(3) ?
O2 Dy1 O3 N6 . . . . 126.4(2) ?
O2 Dy1 O3 N6 2_657 . . . 56.8(2) ?
O1 Dy1 O3 N6 2_657 . . . -15.6(2) ?
O4 Dy1 O3 N6 . . . . -1.92(19) ?
N4 Dy1 O3 N6 . . . . -155.1(2) ?
O6 Dy1 O3 N6 . . . . -130.8(2) ?
N5 Dy1 O3 N6 . . . . -86.6(2) ?
O8 Dy1 O3 N6 . . . . 128.8(3) ?
Dy1 Dy1 O3 N6 2_657 . . . 90.8(2) ?
O5 N6 O4 Dy1 . . . . 175.9(4) ?
O3 N6 O4 Dy1 . . . . -3.2(3) ?
O2 Dy1 O4 N6 . . . . -52.3(2) ?
O2 Dy1 O4 N6 2_657 . . . -118.6(2) ?
O1 Dy1 O4 N6 2_657 . . . 170.4(2) ?
O3 Dy1 O4 N6 . . . . 1.91(19) ?
N4 Dy1 O4 N6 . . . . 32.4(2) ?
O6 Dy1 O4 N6 . . . . 127.8(2) ?
N5 Dy1 O4 N6 . . . . 86.3(2) ?
O8 Dy1 O4 N6 . . . . -146.3(2) ?
Dy1 Dy1 O4 N6 2_657 . . . -86.6(2) ?
O7 N7 O6 Dy1 . . . . -176.6(4) ?
O8 N7 O6 Dy1 . . . . 3.1(4) ?
O2 Dy1 O6 N7 . . . . -56.8(2) ?
O2 Dy1 O6 N7 2_657 . . . 24.1(3) ?
O1 Dy1 O6 N7 2_657 . . . 81.2(2) ?
O4 Dy1 O6 N7 . . . . 123.1(2) ?
O3 Dy1 O6 N7 . . . . -147.7(2) ?
N4 Dy1 O6 N7 . . . . -122.6(2) ?
N5 Dy1 O6 N7 . . . . 166.3(3) ?
O8 Dy1 O6 N7 . . . . -1.8(2) ?
Dy1 Dy1 O6 N7 2_657 . . . -16.8(2) ?
O7 N7 O8 Dy1 . . . . 176.7(4) ?
O6 N7 O8 Dy1 . . . . -3.0(4) ?
O2 Dy1 O8 N7 . . . . 129.1(2) ?
O2 Dy1 O8 N7 2_657 . . . -153.6(3) ?
O1 Dy1 O8 N7 2_657 . . . -82.3(2) ?
O4 Dy1 O8 N7 . . . . -125.1(2) ?
O3 Dy1 O8 N7 . . . . 126.7(3) ?
N4 Dy1 O8 N7 . . . . 56.0(2) ?
O6 Dy1 O8 N7 . . . . 1.8(2) ?
N5 Dy1 O8 N7 . . . . -11.4(3) ?
Dy1 Dy1 O8 N7 2_657 . . . 167.8(3) ?
N5 C9 S1 C15 . . . . -4.6(3) ?
N9 C9 S1 C15 . . . . 175.7(4) ?
C14 C15 S1 C9 . . . . -173.3(4) ?
C10 C15 S1 C9 . . . . 2.4(3) ?
