#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:13:36 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180382 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/51/7205119.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_7205119
loop_
_publ_author_name
'Liu, Wenjing'
'Li, Zhaoyang'
'Wang, Ning'
'Li, Xiaoxu'
'Wei, Zhiqiang'
'Yue, Shantang'
'Liu, Yingliang'
_publ_section_title
;
 A new family of 3D heterometallic 3d--4f organodisulfonate complexes
 based on the linkages of 2D [Ln(nds)(H2O)]+ layers and
 [Cu(ina)2]− chains
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              138
_journal_paper_doi               10.1039/c0ce00077a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C22 H16 Cu Dy N2 O11 S2'
_chemical_formula_sum            'C22 H16 Cu Dy N2 O11 S2'
_chemical_formula_weight         774.56
_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                99.253(2)
_cell_angle_beta                 100.231(2)
_cell_angle_gamma                114.0640(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4926(14)
_cell_length_b                   11.3728(17)
_cell_length_c                   12.345(3)
_cell_measurement_reflns_used    8805
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.30
_cell_volume                     1156.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11132
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    4.376
_exptl_absorpt_correction_T_max  0.417
_exptl_absorpt_correction_T_min  0.364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS,Bruker(2002)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.224
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             754
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.723
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4166
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0196
_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)+(0.0213P)²+0.7780P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0476
_refine_ls_wR_factor_ref         0.0482
_reflns_number_gt                3964
_reflns_number_total             4166
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00077A.TXT
_cod_data_source_block           dy
_cod_database_code               7205119
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 0.309515(15) 0.466253(12) 0.095883(10) 0.01594(5) Uani 1 1 d . . .
Cu1 Cu 0.25721(6) -0.02290(5) 0.59660(4) 0.04031(12) Uani 1 1 d . . .
S2 S 0.30871(8) 0.23428(7) -0.14650(6) 0.01830(15) Uani 1 1 d . . .
S1 S 0.21751(9) 0.71247(8) 0.27281(6) 0.02304(16) Uani 1 1 d . . .
O3 O 0.1833(3) 0.2810(2) 0.16869(19) 0.0348(6) Uani 1 1 d . . .
O2 O 0.3770(3) 0.4540(2) 0.30004(18) 0.0303(5) Uani 1 1 d . . .
O1 O 0.2213(3) 0.6033(2) 0.19249(19) 0.0326(5) Uani 1 1 d . . .
O4 O 0.2406(2) 0.2963(2) -0.07218(17) 0.0238(5) Uani 1 1 d . . .
O9 O 0.1272(3) 0.7703(2) 0.21301(19) 0.0306(5) Uani 1 1 d . . .
O10 O 0.3733(3) 0.8086(3) 0.3434(2) 0.0432(6) Uani 1 1 d . . .
O5 O 0.5198(3) 0.4090(2) 0.11025(18) 0.0282(5) Uani 1 1 d . . .
O7 O 0.4556(2) 0.3320(2) -0.16317(17) 0.0232(4) Uani 1 1 d . . .
O8 O 0.1939(3) 0.1487(2) -0.25274(18) 0.0288(5) Uani 1 1 d . . .
N1 N 0.2461(3) 0.0860(3) 0.4987(2) 0.0267(6) Uani 1 1 d . . .
N2 N 0.7220(3) 0.1434(3) 0.3213(2) 0.0301(6) Uani 1 1 d . . .
C20 C -0.1370(4) 0.5572(3) 0.4222(3) 0.0308(7) Uani 1 1 d . . .
H20 H -0.2387 0.5513 0.4174 0.037 Uiso 1 1 calc R . .
C19 C -0.0473(4) 0.6256(3) 0.3568(3) 0.0286(7) Uani 1 1 d . . .
H19 H -0.0869 0.6671 0.3092 0.034 Uiso 1 1 calc R . .
C18 C 0.1050(4) 0.6321(3) 0.3628(2) 0.0242(7) Uani 1 1 d . . .
C22 C 0.1670(4) 0.5743(3) 0.4345(3) 0.0264(7) Uani 1 1 d . . .
H22 H 0.2688 0.5811 0.4379 0.032 Uiso 1 1 calc R . .
C21 C -0.0776(4) 0.4954(3) 0.4967(3) 0.0252(7) Uani 1 1 d . . .
C8 C 0.5627(4) 0.2419(3) 0.2433(3) 0.0346(8) Uani 1 1 d . . .
H8 H 0.4693 0.2519 0.2364 0.042 Uiso 1 1 calc R . .
C11 C 0.5909(5) 0.1631(4) 0.3089(3) 0.0405(9) Uani 1 1 d . . .
H11 H 0.5154 0.1214 0.3464 0.049 Uiso 1 1 calc R . .
C10 C 0.8294(4) 0.2070(4) 0.2677(3) 0.0356(8) Uani 1 1 d . . .
H10 H 0.9219 0.1955 0.2757 0.043 Uiso 1 1 calc R . .
C9 C 0.8097(4) 0.2885(3) 0.2013(3) 0.0297(7) Uani 1 1 d . . .
H9 H 0.8880 0.3312 0.1661 0.036 Uiso 1 1 calc R . .
C3 C 0.5010(4) 0.1196(3) -0.0864(3) 0.0235(6) Uani 1 1 d . . .
H3 H 0.5613 0.1667 -0.1305 0.028 Uiso 1 1 calc R . .
C2 C 0.5489(4) 0.0370(3) -0.0322(3) 0.0223(6) Uani 1 1 d . . .
C1 C 0.6889(4) 0.0237(3) -0.0399(3) 0.0291(7) Uani 1 1 d . . .
H1 H 0.7533 0.0720 -0.0813 0.035 Uiso 1 1 calc R . .
C5 C 0.2688(4) 0.0585(3) -0.0122(3) 0.0268(7) Uani 1 1 d . . .
H5 H 0.1765 0.0664 -0.0063 0.032 Uiso 1 1 calc R . .
C4 C 0.3663(4) 0.1312(3) -0.0747(2) 0.0207(6) Uani 1 1 d . . .
C13 C 0.3404(4) 0.2184(3) 0.5345(3) 0.0270(7) Uani 1 1 d . . .
H13 H 0.4003 0.2554 0.6103 0.032 Uiso 1 1 calc R . .
C14 C 0.3513(4) 0.3008(3) 0.4632(3) 0.0247(7) Uani 1 1 d . . .
H14 H 0.4195 0.3916 0.4903 0.030 Uiso 1 1 calc R . .
C16 C 0.2602(3) 0.2479(3) 0.3506(2) 0.0214(6) Uani 1 1 d . . .
C15 C 0.1607(4) 0.1121(3) 0.3143(3) 0.0263(7) Uani 1 1 d . . .
H15 H 0.0963 0.0734 0.2397 0.032 Uiso 1 1 calc R . .
C12 C 0.1581(4) 0.0349(3) 0.3902(3) 0.0278(7) Uani 1 1 d . . .
H12 H 0.0925 -0.0565 0.3648 0.033 Uiso 1 1 calc R . .
C7 C 0.6736(4) 0.3064(3) 0.1876(2) 0.0207(6) Uani 1 1 d . . .
C6 C 0.6389(3) 0.3877(3) 0.1101(2) 0.0201(6) Uani 1 1 d . . .
C17 C 0.2739(4) 0.3343(3) 0.2689(3) 0.0247(7) Uani 1 1 d . . .
O6 O 0.7316(3) 0.4265(2) 0.04792(18) 0.0268(5) Uani 1 1 d . . .
O1W O 0.0256(2) 0.3748(2) 0.00933(18) 0.0286(5) Uani 1 1 d D . .
H2W H -0.0178 0.3270 -0.0558 0.043 Uiso 1 1 d RD . .
H1W H -0.0387 0.3995 0.0258 0.043 Uiso 1 1 d RD . .
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'
Cu Cu 0.3201 1.2651 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O5 142.56(8) . . ?
O1 Dy1 O7 78.63(8) . 2_665 ?
O5 Dy1 O7 74.17(7) . 2_665 ?
O1 Dy1 O3 96.26(9) . . ?
O5 Dy1 O3 85.76(8) . . ?
O7 Dy1 O3 135.42(7) 2_665 . ?
O1 Dy1 O6 81.57(8) . 2_665 ?
O5 Dy1 O6 117.68(8) . 2_665 ?
O7 Dy1 O6 80.03(7) 2_665 2_665 ?
O3 Dy1 O6 143.66(8) . 2_665 ?
O1 Dy1 O4 143.98(8) . . ?
O5 Dy1 O4 73.44(7) . . ?
O7 Dy1 O4 126.38(7) 2_665 . ?
O3 Dy1 O4 82.63(8) . . ?
O6 Dy1 O4 78.73(7) 2_665 . ?
O1 Dy1 O1W 73.39(8) . . ?
O5 Dy1 O1W 141.30(8) . . ?
O7 Dy1 O1W 142.17(7) 2_665 . ?
O3 Dy1 O1W 73.45(8) . . ?
O6 Dy1 O1W 71.20(7) 2_665 . ?
O4 Dy1 O1W 71.82(7) . . ?
O1 Dy1 O2 75.86(8) . . ?
O5 Dy1 O2 75.71(8) . . ?
O7 Dy1 O2 82.96(7) 2_665 . ?
O3 Dy1 O2 53.29(7) . . ?
O6 Dy1 O2 153.98(7) 2_665 . ?
O4 Dy1 O2 127.29(7) . . ?
O1W Dy1 O2 113.47(7) . . ?
N2 Cu1 N1 171.86(12) 2_656 . ?
O8 S2 O4 112.62(13) . . ?
O8 S2 O7 112.28(13) . . ?
O4 S2 O7 112.22(12) . . ?
O8 S2 C4 106.67(13) . . ?
O4 S2 C4 106.80(13) . . ?
O7 S2 C4 105.69(13) . . ?
O10 S1 O9 113.88(15) . . ?
O10 S1 O1 113.15(15) . . ?
O9 S1 O1 110.42(13) . . ?
O10 S1 C18 107.71(15) . . ?
O9 S1 C18 106.58(14) . . ?
O1 S1 C18 104.39(14) . . ?
C17 O3 Dy1 95.71(19) . . ?
C17 O2 Dy1 88.55(18) . . ?
S1 O1 Dy1 162.45(16) . . ?
S2 O4 Dy1 143.04(12) . . ?
C6 O5 Dy1 172.8(2) . . ?
S2 O7 Dy1 150.47(13) . 2_665 ?
C12 N1 C13 118.0(3) . . ?
C12 N1 Cu1 122.0(2) . . ?
C13 N1 Cu1 119.7(2) . . ?
C10 N2 C11 116.8(3) . . ?
C10 N2 Cu1 123.0(2) . 2_656 ?
C11 N2 Cu1 120.0(2) . 2_656 ?
C19 C20 C21 121.2(3) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C20 C19 C18 119.2(3) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C22 C18 C19 121.3(3) . . ?
C22 C18 S1 119.1(2) . . ?
C19 C18 S1 119.5(2) . . ?
C18 C22 C21 120.5(3) . 2_566 ?
C18 C22 H22 119.7 . . ?
C21 C22 H22 119.7 2_566 . ?
C22 C21 C20 122.2(3) 2_566 . ?
C22 C21 C21 118.8(4) 2_566 2_566 ?
C20 C21 C21 119.0(4) . 2_566 ?
C11 C8 C7 119.8(3) . . ?
C11 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
N2 C11 C8 123.1(3) . . ?
N2 C11 H11 118.5 . . ?
C8 C11 H11 118.5 . . ?
N2 C10 C9 123.3(3) . . ?
N2 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
C7 C9 C10 119.4(3) . . ?
C7 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C2 C1 122.5(3) . . ?
C3 C2 C2 118.4(3) . 2_655 ?
C1 C2 C2 119.0(3) . 2_655 ?
C5 C1 C2 121.3(3) 2_655 . ?
C5 C1 H1 119.4 2_655 . ?
C2 C1 H1 119.4 . . ?
C1 C5 C4 119.1(3) 2_655 . ?
C1 C5 H5 120.4 2_655 . ?
C4 C5 H5 120.4 . . ?
C3 C4 C5 121.7(3) . . ?
C3 C4 S2 118.9(2) . . ?
C5 C4 S2 119.4(2) . . ?
N1 C13 C14 122.3(3) . . ?
N1 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
C13 C14 C16 119.7(3) . . ?
C13 C14 H14 120.2 . . ?
C16 C14 H14 120.2 . . ?
C15 C16 C14 118.0(3) . . ?
C15 C16 C17 120.8(3) . . ?
C14 C16 C17 121.1(3) . . ?
C12 C15 C16 119.1(3) . . ?
C12 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
N1 C12 C15 122.8(3) . . ?
N1 C12 H12 118.6 . . ?
C15 C12 H12 118.6 . . ?
C9 C7 C8 117.6(3) . . ?
C9 C7 C6 122.4(3) . . ?
C8 C7 C6 119.9(3) . . ?
O5 C6 O6 124.7(3) . . ?
O5 C6 C7 118.3(3) . . ?
O6 C6 C7 117.0(3) . . ?
O2 C17 O3 122.1(3) . . ?
O2 C17 C16 119.9(3) . . ?
O3 C17 C16 117.9(3) . . ?
C6 O6 Dy1 124.40(19) . 2_665 ?
Dy1 O1W H2W 122.9 . . ?
Dy1 O1W H1W 129.6 . . ?
H2W O1W H1W 104.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.319(2) . ?
Dy1 O5 2.326(2) . ?
Dy1 O7 2.342(2) 2_665 ?
Dy1 O3 2.369(2) . ?
Dy1 O6 2.373(2) 2_665 ?
Dy1 O4 2.380(2) . ?
Dy1 O1W 2.412(2) . ?
Dy1 O2 2.528(2) . ?
Cu1 N2 1.882(3) 2_656 ?
Cu1 N1 1.884(3) . ?
S2 O8 1.439(2) . ?
S2 O4 1.460(2) . ?
S2 O7 1.461(2) . ?
S2 C4 1.773(3) . ?
S1 O10 1.435(3) . ?
S1 O9 1.450(2) . ?
S1 O1 1.476(2) . ?
S1 C18 1.779(3) . ?
O3 C17 1.263(4) . ?
O2 C17 1.253(4) . ?
O5 C6 1.250(4) . ?
O7 Dy1 2.342(2) 2_665 ?
N1 C12 1.336(4) . ?
N1 C13 1.345(4) . ?
N2 C10 1.338(4) . ?
N2 C11 1.339(4) . ?
N2 Cu1 1.882(3) 2_656 ?
C20 C19 1.374(4) . ?
C20 C21 1.416(4) . ?
C20 H20 0.9300 . ?
C19 C18 1.405(4) . ?
C19 H19 0.9300 . ?
C18 C22 1.371(4) . ?
C22 C21 1.412(4) 2_566 ?
C22 H22 0.9300 . ?
C21 C22 1.412(4) 2_566 ?
C21 C21 1.421(6) 2_566 ?
C8 C11 1.371(5) . ?
C8 C7 1.381(4) . ?
C8 H8 0.9300 . ?
C11 H11 0.9300 . ?
C10 C9 1.378(4) . ?
C10 H10 0.9300 . ?
C9 C7 1.374(4) . ?
C9 H9 0.9300 . ?
C3 C4 1.367(4) . ?
C3 C2 1.408(4) . ?
C3 H3 0.9300 . ?
C2 C1 1.415(4) . ?
C2 C2 1.428(6) 2_655 ?
C1 C5 1.363(4) 2_655 ?
C1 H1 0.9300 . ?
C5 C1 1.363(4) 2_655 ?
C5 C4 1.404(4) . ?
C5 H5 0.9300 . ?
C13 C14 1.372(4) . ?
C13 H13 0.9300 . ?
C14 C16 1.386(4) . ?
C14 H14 0.9300 . ?
C16 C15 1.384(4) . ?
C16 C17 1.503(4) . ?
C15 C12 1.380(4) . ?
C15 H15 0.9300 . ?
C12 H12 0.9300 . ?
C7 C6 1.517(4) . ?
C6 O6 1.262(4) . ?
O6 Dy1 2.373(2) 2_665 ?
O1W H2W 0.8193 . ?
O1W H1W 0.8112 . ?
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
_geom_torsion_publ_flag
O1 Dy1 O3 C17 -70.5(2) . . . . ?
O5 Dy1 O3 C17 71.96(19) . . . . ?
O7 Dy1 O3 C17 9.7(2) 2_665 . . . ?
O6 Dy1 O3 C17 -154.77(17) 2_665 . . . ?
O4 Dy1 O3 C17 145.8(2) . . . . ?
O1W Dy1 O3 C17 -141.1(2) . . . . ?
O2 Dy1 O3 C17 -3.35(17) . . . . ?
O1 Dy1 O2 C17 112.52(19) . . . . ?
O5 Dy1 O2 C17 -92.09(18) . . . . ?
O7 Dy1 O2 C17 -167.49(18) 2_665 . . . ?
O3 Dy1 O2 C17 3.36(17) . . . . ?
O6 Dy1 O2 C17 143.11(19) 2_665 . . . ?
O4 Dy1 O2 C17 -36.4(2) . . . . ?
O1W Dy1 O2 C17 48.03(19) . . . . ?
O10 S1 O1 Dy1 3.7(5) . . . . ?
O9 S1 O1 Dy1 132.7(4) . . . . ?
C18 S1 O1 Dy1 -113.1(5) . . . . ?
O5 Dy1 O1 S1 19.3(5) . . . . ?
O7 Dy1 O1 S1 -24.6(5) 2_665 . . . ?
O3 Dy1 O1 S1 110.5(5) . . . . ?
O6 Dy1 O1 S1 -106.1(5) 2_665 . . . ?
O4 Dy1 O1 S1 -163.4(4) . . . . ?
O1W Dy1 O1 S1 -178.9(5) . . . . ?
O2 Dy1 O1 S1 60.9(5) . . . . ?
O8 S2 O4 Dy1 -167.48(18) . . . . ?
O7 S2 O4 Dy1 -39.6(2) . . . . ?
C4 S2 O4 Dy1 75.8(2) . . . . ?
O1 Dy1 O4 S2 157.70(17) . . . . ?
O5 Dy1 O4 S2 -24.0(2) . . . . ?
O7 Dy1 O4 S2 31.1(2) 2_665 . . . ?
O3 Dy1 O4 S2 -111.8(2) . . . . ?
O6 Dy1 O4 S2 99.6(2) 2_665 . . . ?
O1W Dy1 O4 S2 173.3(2) . . . . ?
O2 Dy1 O4 S2 -80.6(2) . . . . ?
O1 Dy1 O5 C6 -100.2(16) . . . . ?
O7 Dy1 O5 C6 -55.2(16) 2_665 . . . ?
O3 Dy1 O5 C6 165.1(16) . . . . ?
O6 Dy1 O5 C6 14.2(16) 2_665 . . . ?
O4 Dy1 O5 C6 81.5(16) . . . . ?
O1W Dy1 O5 C6 108.4(16) . . . . ?
O2 Dy1 O5 C6 -141.8(16) . . . . ?
O8 S2 O7 Dy1 159.7(2) . . . 2_665 ?
O4 S2 O7 Dy1 31.7(3) . . . 2_665 ?
C4 S2 O7 Dy1 -84.3(3) . . . 2_665 ?
N2 Cu1 N1 C12 56.1(10) 2_656 . . . ?
N2 Cu1 N1 C13 -117.5(8) 2_656 . . . ?
C21 C20 C19 C18 1.2(5) . . . . ?
C20 C19 C18 C22 -1.6(5) . . . . ?
C20 C19 C18 S1 176.5(3) . . . . ?
O10 S1 C18 C22 -54.0(3) . . . . ?
O9 S1 C18 C22 -176.6(2) . . . . ?
O1 S1 C18 C22 66.5(3) . . . . ?
O10 S1 C18 C19 127.9(3) . . . . ?
O9 S1 C18 C19 5.3(3) . . . . ?
O1 S1 C18 C19 -111.6(3) . . . . ?
C19 C18 C22 C21 1.0(5) . . . 2_566 ?
S1 C18 C22 C21 -177.1(2) . . . 2_566 ?
C19 C20 C21 C22 179.4(3) . . . 2_566 ?
C19 C20 C21 C21 -0.2(6) . . . 2_566 ?
C10 N2 C11 C8 1.2(6) . . . . ?
Cu1 N2 C11 C8 -175.1(3) 2_656 . . . ?
C7 C8 C11 N2 -0.8(6) . . . . ?
C11 N2 C10 C9 -0.6(5) . . . . ?
Cu1 N2 C10 C9 175.6(3) 2_656 . . . ?
N2 C10 C9 C7 -0.4(6) . . . . ?
C4 C3 C2 C1 -178.8(3) . . . . ?
C4 C3 C2 C2 1.8(5) . . . 2_655 ?
C3 C2 C1 C5 -179.0(3) . . . 2_655 ?
C2 C2 C1 C5 0.4(6) 2_655 . . 2_655 ?
C2 C3 C4 C5 -2.2(5) . . . . ?
C2 C3 C4 S2 -179.0(2) . . . . ?
C1 C5 C4 C3 1.2(5) 2_655 . . . ?
C1 C5 C4 S2 178.0(3) 2_655 . . . ?
O8 S2 C4 C3 94.7(3) . . . . ?
O4 S2 C4 C3 -144.6(2) . . . . ?
O7 S2 C4 C3 -25.0(3) . . . . ?
O8 S2 C4 C5 -82.1(3) . . . . ?
O4 S2 C4 C5 38.5(3) . . . . ?
O7 S2 C4 C5 158.2(2) . . . . ?
C12 N1 C13 C14 -1.5(5) . . . . ?
Cu1 N1 C13 C14 172.3(2) . . . . ?
N1 C13 C14 C16 1.5(5) . . . . ?
C13 C14 C16 C15 -0.1(4) . . . . ?
C13 C14 C16 C17 -177.6(3) . . . . ?
C14 C16 C15 C12 -1.1(5) . . . . ?
C17 C16 C15 C12 176.3(3) . . . . ?
C13 N1 C12 C15 0.1(5) . . . . ?
Cu1 N1 C12 C15 -173.5(2) . . . . ?
C16 C15 C12 N1 1.2(5) . . . . ?
C10 C9 C7 C8 0.9(5) . . . . ?
C10 C9 C7 C6 -176.2(3) . . . . ?
C11 C8 C7 C9 -0.3(5) . . . . ?
C11 C8 C7 C6 176.8(3) . . . . ?
Dy1 O5 C6 O6 -8.6(18) . . . . ?
Dy1 O5 C6 C7 173.1(15) . . . . ?
C9 C7 C6 O5 -173.7(3) . . . . ?
C8 C7 C6 O5 9.4(4) . . . . ?
C9 C7 C6 O6 7.9(4) . . . . ?
C8 C7 C6 O6 -169.1(3) . . . . ?
Dy1 O2 C17 O3 -6.0(3) . . . . ?
Dy1 O2 C17 C16 171.4(2) . . . . ?
Dy1 O3 C17 O2 6.4(3) . . . . ?
Dy1 O3 C17 C16 -171.0(2) . . . . ?
C15 C16 C17 O2 -172.3(3) . . . . ?
C14 C16 C17 O2 5.1(4) . . . . ?
C15 C16 C17 O3 5.2(4) . . . . ?
C14 C16 C17 O3 -177.4(3) . . . . ?
O5 C6 O6 Dy1 -5.5(4) . . . 2_665 ?
C7 C6 O6 Dy1 172.82(18) . . . 2_665 ?
