#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:51:58 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178758 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/12/4101266.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_4101266
loop_
_publ_author_name
'Chandler, Brett D'
'Cramb, David T'
'Shimizu, George K H'
_publ_section_title
;
 Microporous metal-organic frameworks formed in a stepwise manner from
 luminescent building blocks.
;
_journal_issue                   32
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10403
_journal_page_last               10412
_journal_paper_doi               10.1021/ja060666e
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety
'(C30 H18 Ba2 Dy1 N6 O24 S6 1+)n,n(Cl1 1-),10.48n(H2 O1)  '
_chemical_formula_sum            'C30 H18 Ba2 Cl Dy N6 O34.48 S6'
_chemical_formula_weight         1679.22
_chemical_name_common
;            
catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di-
barium-dysprosium chloride clathrate hydrate)
;
_chemical_name_systematic
;
catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di-
barium-dysprosium chloride clathrate hydrate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 98.168(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   24.627(5)
_cell_length_b                   22.651(5)
_cell_length_c                   10.547(5)
_cell_measurement_reflns_used    22447
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.91
_cell_volume                     5824(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 19'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            41595
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.98
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.964
_exptl_absorpt_correction_T_max  0.7763
_exptl_absorpt_correction_T_min  0.6648
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.915
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3227.4
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.600
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         13321
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0643P)²+2.6675P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                9807
_reflns_number_total             13321
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja060666esi20060127_083356.cif
_cod_data_source_block           import
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4101266
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.2078(2) 1.0973(2) -0.1524(5) 0.0334(12) Uani 1 1 d . . .
H1 H 0.2461 1.0962 -0.1556 0.040 Uiso 1 1 calc R . .
C2 C 0.1770(2) 1.1439(2) -0.2072(5) 0.0336(12) Uani 1 1 d . . .
H2 H 0.1940 1.1750 -0.2475 0.040 Uiso 1 1 calc R . .
C3 C 0.12126(19) 1.1449(2) -0.2030(5) 0.0255(10) Uani 1 1 d . . .
C4 C 0.09737(19) 1.0993(2) -0.1446(5) 0.0258(10) Uani 1 1 d . . .
H4 H 0.0589 1.0992 -0.1434 0.031 Uiso 1 1 calc R . .
C5 C 0.12904(19) 1.0539(2) -0.0879(4) 0.0240(10) Uani 1 1 d . . .
C6 C 0.1063(2) 1.00276(19) -0.0254(5) 0.0253(10) Uani 1 1 d . . .
C7 C 0.0664(2) 0.9664(2) -0.0899(5) 0.0267(10) Uani 1 1 d . . .
H7 H 0.0535 0.9728 -0.1780 0.032 Uiso 1 1 calc R . .
C8 C 0.04539(19) 0.9198(2) -0.0234(5) 0.0259(10) Uani 1 1 d . . .
C9 C 0.0646(2) 0.9111(2) 0.1042(5) 0.0306(11) Uani 1 1 d . . .
H9 H 0.0504 0.8799 0.1500 0.037 Uiso 1 1 calc R . .
C10 C 0.1048(2) 0.9482(2) 0.1653(5) 0.0306(11) Uani 1 1 d . . .
H10 H 0.1185 0.9419 0.2531 0.037 Uiso 1 1 calc R . .
C11 C 0.2186(2) 0.8870(2) -0.1157(5) 0.0281(11) Uani 1 1 d . . .
H11 H 0.2308 0.9176 -0.1664 0.034 Uiso 1 1 calc R . .
C12 C 0.1815(2) 0.8457(2) -0.1718(5) 0.0288(11) Uani 1 1 d . . .
H12 H 0.1676 0.8481 -0.2604 0.035 Uiso 1 1 calc R . .
C13 C 0.16474(18) 0.8006(2) -0.0972(5) 0.0252(10) Uani 1 1 d . . .
C14 C 0.18429(19) 0.7989(2) 0.0327(5) 0.0249(10) Uani 1 1 d . . .
H14 H 0.1725 0.7687 0.0852 0.030 Uiso 1 1 calc R . .
C15 C 0.22126(18) 0.84168(19) 0.0856(4) 0.0218(9) Uani 1 1 d . . .
C16 C 0.25013(18) 0.83586(19) 0.2177(4) 0.0217(9) Uani 1 1 d . . .
C17 C 0.28081(18) 0.78593(19) 0.2529(4) 0.0225(10) Uani 1 1 d . . .
H17 H 0.2810 0.7541 0.1942 0.027 Uiso 1 1 calc R . .
C18 C 0.31115(19) 0.78220(19) 0.3726(4) 0.0231(10) Uani 1 1 d . . .
C19 C 0.3084(2) 0.8278(2) 0.4598(5) 0.0291(11) Uani 1 1 d . . .
H19 H 0.3285 0.8256 0.5436 0.035 Uiso 1 1 calc R . .
C20 C 0.2765(2) 0.8760(2) 0.4232(5) 0.0290(11) Uani 1 1 d . . .
H20 H 0.2737 0.9069 0.4828 0.035 Uiso 1 1 calc R . .
C21 C 0.3724(2) 0.9654(2) -0.0552(5) 0.0272(10) Uani 1 1 d . . .
H21 H 0.3418 0.9699 -0.1202 0.033 Uiso 1 1 calc R . .
C22 C 0.4148(2) 0.9296(2) -0.0757(5) 0.0286(11) Uani 1 1 d . . .
H22 H 0.4139 0.9097 -0.1552 0.034 Uiso 1 1 calc R . .
C23 C 0.4595(2) 0.92212(19) 0.0202(5) 0.0251(10) Uani 1 1 d . . .
C24 C 0.45989(19) 0.9522(2) 0.1347(5) 0.0251(10) Uani 1 1 d . . .
H24 H 0.4902 0.9483 0.2007 0.030 Uiso 1 1 calc R . .
C25 C 0.41611(18) 0.98777(19) 0.1524(5) 0.0226(10) Uani 1 1 d . . .
C26 C 0.41580(19) 1.0199(2) 0.2738(5) 0.0241(10) Uani 1 1 d . . .
C27 C 0.4580(2) 1.0573(2) 0.3216(5) 0.0267(10) Uani 1 1 d . . .
H27 H 0.4860 1.0662 0.2712 0.032 Uiso 1 1 calc R . .
C28 C 0.4600(2) 1.0817(2) 0.4417(5) 0.0294(11) Uani 1 1 d . . .
C29 C 0.4192(2) 1.0677(2) 0.5148(5) 0.0371(13) Uani 1 1 d . . .
H29 H 0.4200 1.0837 0.5983 0.045 Uiso 1 1 calc R . .
C30 C 0.3776(2) 1.0305(2) 0.4650(5) 0.0340(12) Uani 1 1 d . . .
H30 H 0.3497 1.0206 0.5149 0.041 Uiso 1 1 calc R . .
N1 N 0.18390(16) 1.05366(16) -0.0946(4) 0.0243(8) Uani 1 1 d . . .
N2 N 0.12475(15) 0.99314(16) 0.1014(4) 0.0225(8) Uani 1 1 d . . .
N3 N 0.23753(15) 0.88429(16) 0.0098(4) 0.0219(8) Uani 1 1 d . . .
N4 N 0.24916(16) 0.88009(16) 0.3038(4) 0.0237(8) Uani 1 1 d . . .
N5 N 0.37369(15) 0.99457(16) 0.0573(4) 0.0233(8) Uani 1 1 d . . .
N6 N 0.37573(16) 1.00755(17) 0.3462(4) 0.0259(9) Uani 1 1 d . . .
O1 O 0.21432(13) 1.00933(14) -0.0438(3) 0.0270(7) Uani 1 1 d . . .
O2 O 0.16227(13) 1.02874(14) 0.1629(3) 0.0263(7) Uani 1 1 d . . .
O3 O 0.27625(13) 0.92161(13) 0.0612(3) 0.0243(7) Uani 1 1 d . . .
O4 O 0.21983(13) 0.92869(13) 0.2706(3) 0.0252(7) Uani 1 1 d . . .
O5 O 0.33396(13) 1.03270(14) 0.0722(3) 0.0276(7) Uani 1 1 d . . .
O6 O 0.33602(13) 0.97106(14) 0.3018(3) 0.0288(7) Uani 1 1 d . . .
O7 O 0.02556(16) 1.1867(2) -0.2880(5) 0.0574(12) Uani 1 1 d . . .
O8 O 0.10294(16) 1.22161(16) -0.3835(4) 0.0409(9) Uani 1 1 d . . .
O9 O 0.0916(2) 1.25224(16) -0.1704(4) 0.0506(11) Uani 1 1 d . . .
O10 O -0.05295(15) 0.91089(16) -0.1407(4) 0.0414(9) Uani 1 1 d . . .
O11 O 0.01784(16) 0.85389(17) -0.2181(4) 0.0430(10) Uani 1 1 d . . .
O12 O -0.01413(16) 0.82710(15) -0.0177(4) 0.0388(9) Uani 1 1 d . A .
O13 O 0.07706(15) 0.74306(18) -0.0819(4) 0.0442(10) Uani 1 1 d . A .
O14 O 0.10133(15) 0.75907(17) -0.2940(3) 0.0380(9) Uani 1 1 d . . .
O15 O 0.15252(16) 0.69009(16) -0.1494(4) 0.0453(10) Uani 1 1 d . . .
O16 O 0.32757(14) 0.68038(15) 0.4795(4) 0.0373(9) Uani 1 1 d . . .
O17 O 0.36488(15) 0.69806(15) 0.2824(3) 0.0328(8) Uani 1 1 d . . .
O18 O 0.40609(14) 0.74462(15) 0.4776(4) 0.0332(8) Uani 1 1 d . . .
O19 O 0.51652(16) 0.83344(16) 0.1128(4) 0.0433(10) Uani 1 1 d . . .
O20 O 0.50164(17) 0.84529(18) -0.1167(4) 0.0490(10) Uani 1 1 d . . .
O21 O 0.56338(15) 0.91007(16) 0.0140(4) 0.0427(10) Uani 1 1 d . . .
O22 O 0.5502(2) 1.0912(2) 0.5921(5) 0.0695(14) Uani 1 1 d . . .
O23 O 0.5429(2) 1.1421(2) 0.3946(4) 0.0659(14) Uani 1 1 d . . .
O24 O 0.4925(2) 1.1759(2) 0.5638(6) 0.092(2) Uani 1 1 d . . .
O101 O 0.39239(16) 0.84096(16) 0.2129(4) 0.0408(9) Uani 1 1 d . . .
O102 O 0.25122(17) 1.05306(17) 0.3725(4) 0.0452(10) Uani 1 1 d . . .
O103 O 0.25538(15) 1.11126(15) 0.1350(4) 0.0411(9) Uani 1 1 d . . .
O104 O 0.0797(4) 0.6182(3) 0.0055(8) 0.105(4) Uani 0.889(18) 1 d P A 1
O105 O 0.0382(16) 0.5964(15) 0.006(4) 0.046(15) Uani 0.111(18) 1 d P A 2
O106 O -0.0718(3) 0.6054(3) 0.0667(7) 0.107(4) Uani 0.898(18) 1 d P A .
O107 O 0.5804(3) 0.7368(5) 0.2516(14) 0.236(10) Uani 0.94(2) 1 d P . .
O201 O 0.1560(3) 0.1632(3) 0.1456(6) 0.0990(12) Uiso 1 1 d . . .
O202 O 0.3467(3) 0.1653(3) 0.0735(6) 0.0990(12) Uiso 1 1 d . . .
O203 O 0.1289(4) 0.5076(4) 0.1031(9) 0.0990(12) Uiso 0.704(13) 1 d P . .
O204 O 0.1864(4) 0.1590(4) 0.4257(10) 0.0990(12) Uiso 0.662(12) 1 d P . .
O205 O 0.3476(4) 1.1028(4) 0.7541(10) 0.0990(12) Uiso 0.626(12) 1 d P . .
O206 O 0.6255(8) 0.7283(9) 0.027(2) 0.0990(12) Uiso 0.335(12) 1 d P . .
O207 O -0.0104(9) 0.5220(9) -0.109(2) 0.0990(12) Uiso 0.315(11) 1 d P . .
S1 S 0.08197(5) 1.20663(5) -0.26621(12) 0.0309(3) Uani 1 1 d . . .
S2 S -0.00570(5) 0.87330(5) -0.10790(12) 0.0269(3) Uani 1 1 d . . .
S3 S 0.11997(5) 0.74294(5) -0.16133(12) 0.0268(3) Uani 1 1 d . . .
S4 S 0.35609(5) 0.72072(5) 0.40708(11) 0.0230(2) Uani 1 1 d . . .
S5 S 0.51512(5) 0.87337(5) 0.00574(12) 0.0267(3) Uani 1 1 d . . .
S6 S 0.51576(6) 1.12833(6) 0.50179(13) 0.0367(3) Uani 1 1 d . . .
Cl1 Cl 0.26328(9) 0.99567(8) 0.64532(17) 0.0661(5) Uani 1 1 d . . .
Ba1 Ba 0.002966(12) 0.710073(13) 0.06288(3) 0.02926(9) Uani 1 1 d . . .
Ba2 Ba 0.465612(13) 0.749639(13) 0.23311(3) 0.03064(9) Uani 1 1 d . . .
Dy1 Dy 0.256969(9) 1.007437(9) 0.16906(2) 0.02247(7) Uani 1 1 d . . .
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'
S S 0.1246 0.1234 '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'
Ba Ba -0.3244 2.2819 '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
N1 C1 C2 120.3(5) . .
N1 C1 H1 119.8 . .
C2 C1 H1 119.8 . .
C1 C2 C3 119.3(5) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 119.5(4) . .
C4 C3 S1 120.9(4) . .
C2 C3 S1 119.5(4) . .
C5 C4 C3 120.2(4) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
N1 C5 C4 119.1(4) . .
N1 C5 C6 117.4(4) . .
C4 C5 C6 123.4(4) . .
N2 C6 C7 120.0(4) . .
N2 C6 C5 117.7(4) . .
C7 C6 C5 122.3(4) . .
C6 C7 C8 119.2(4) . .
C6 C7 H7 120.4 . .
C8 C7 H7 120.4 . .
C9 C8 C7 119.8(4) . .
C9 C8 S2 121.6(4) . .
C7 C8 S2 118.6(4) . .
C8 C9 C10 119.4(5) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
N2 C10 C9 120.8(5) . .
N2 C10 H10 119.6 . .
C9 C10 H10 119.6 . .
N3 C11 C12 120.5(4) . .
N3 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C11 C12 C13 119.2(5) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C12 C13 C14 119.5(4) . .
C12 C13 S3 122.9(4) . .
C14 C13 S3 117.6(4) . .
C13 C14 C15 119.4(4) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
N3 C15 C14 119.6(4) . .
N3 C15 C16 118.6(4) . .
C14 C15 C16 121.0(4) . .
N4 C16 C17 119.1(4) . .
N4 C16 C15 120.9(4) . .
C17 C16 C15 119.9(4) . .
C18 C17 C16 120.1(4) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 119.4(4) . .
C17 C18 S4 118.4(3) . .
C19 C18 S4 122.1(4) . .
C20 C19 C18 119.0(5) . .
C20 C19 H19 120.5 . .
C18 C19 H19 120.5 . .
N4 C20 C19 120.7(4) . .
N4 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
N5 C21 C22 120.4(5) . .
N5 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C21 C22 C23 120.0(5) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 118.7(4) . .
C24 C23 S5 117.9(4) . .
C22 C23 S5 123.4(4) . .
C25 C24 C23 119.8(4) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
N5 C25 C24 120.2(4) . .
N5 C25 C26 119.4(4) . .
C24 C25 C26 120.5(4) . .
N6 C26 C27 119.4(4) . .
N6 C26 C25 118.7(4) . .
C27 C26 C25 121.6(4) . .
C28 C27 C26 120.6(5) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C27 C28 C29 119.1(5) . .
C27 C28 S6 119.4(4) . .
C29 C28 S6 121.4(4) . .
C30 C29 C28 119.2(5) . .
C30 C29 H29 120.4 . .
C28 C29 H29 120.4 . .
N6 C30 C29 121.1(5) . .
N6 C30 H30 119.4 . .
C29 C30 H30 119.4 . .
O1 N1 C1 119.0(4) . .
O1 N1 C5 119.5(4) . .
C1 N1 C5 121.5(4) . .
O2 N2 C10 119.5(4) . .
O2 N2 C6 119.6(4) . .
C10 N2 C6 120.9(4) . .
O3 N3 C11 120.1(4) . .
O3 N3 C15 118.0(4) . .
C11 N3 C15 121.8(4) . .
O4 N4 C20 118.9(4) . .
O4 N4 C16 119.6(4) . .
C20 N4 C16 121.5(4) . .
O5 N5 C25 119.3(4) . .
O5 N5 C21 119.6(4) . .
C25 N5 C21 121.0(4) . .
O6 N6 C30 119.8(4) . .
O6 N6 C26 119.5(4) . .
C30 N6 C26 120.6(4) . .
N1 O1 Dy1 123.7(3) . .
N2 O2 Dy1 120.3(2) . .
N3 O3 Dy1 122.9(2) . .
N4 O4 Dy1 121.2(2) . .
N5 O5 Dy1 123.1(2) . .
N6 O6 Dy1 119.8(3) . .
S1 O7 Ba1 101.0(2) . 2_554
S1 O8 Ba1 97.7(2) . 2_554
S1 O9 Ba1 115.5(3) . 3_575
S2 O11 Ba1 146.2(2) . 4_575
S2 O12 Ba1 148.7(2) . .
S3 O13 Ba1 163.4(3) . .
S3 O14 Ba1 136.3(2) . 4_575
S4 O17 Ba2 105.34(18) . .
S4 O18 Ba2 141.1(2) . 4_576
S4 O18 Ba2 93.08(18) . .
Ba2 O18 Ba2 122.06(12) 4_576 .
S5 O19 Ba2 148.2(3) . .
S5 O20 Ba2 151.8(3) . 4_575
S6 O23 Ba2 124.4(3) . 2_655
S6 O24 Ba2 132.7(3) . 3_676
O9 S1 O8 112.9(3) . .
O9 S1 O7 113.1(3) . .
O8 S1 O7 112.9(3) . .
O9 S1 C3 106.0(2) . .
O8 S1 C3 105.3(2) . .
O7 S1 C3 105.9(2) . .
O9 S1 Ba1 128.84(18) . 2_554
O8 S1 Ba1 58.15(17) . 2_554
O7 S1 Ba1 55.14(18) . 2_554
C3 S1 Ba1 125.19(17) . 2_554
O11 S2 O10 112.9(3) . .
O11 S2 O12 114.9(2) . .
O10 S2 O12 113.4(2) . .
O11 S2 C8 104.4(2) . .
O10 S2 C8 105.0(2) . .
O12 S2 C8 104.9(2) . .
O15 S3 O13 113.4(3) . .
O15 S3 O14 112.9(2) . .
O13 S3 O14 113.7(2) . .
O15 S3 C13 105.7(2) . .
O13 S3 C13 104.1(2) . .
O14 S3 C13 105.9(2) . .
O16 S4 O18 114.1(2) . .
O16 S4 O17 113.8(2) . .
O18 S4 O17 111.7(2) . .
O16 S4 C18 105.6(2) . .
O18 S4 C18 105.7(2) . .
O17 S4 C18 105.0(2) . .
O16 S4 Ba2 149.46(16) . .
O18 S4 Ba2 62.73(16) . .
O17 S4 Ba2 51.23(15) . .
C18 S4 Ba2 104.28(16) . .
O20 S5 O21 113.1(3) . .
O20 S5 O19 113.8(3) . .
O21 S5 O19 112.7(2) . .
O20 S5 C23 105.6(2) . .
O21 S5 C23 105.9(2) . .
O19 S5 C23 104.7(2) . .
O24 S6 O23 117.6(4) . .
O24 S6 O22 111.9(4) . .
O23 S6 O22 110.6(3) . .
O24 S6 C28 105.8(3) . .
O23 S6 C28 105.8(3) . .
O22 S6 C28 103.8(3) . .
O13 Ba1 O11 128.49(12) . 4_576
O13 Ba1 O14 67.69(11) . 4_576
O11 Ba1 O14 70.52(12) 4_576 4_576
O13 Ba1 O12 69.12(12) . .
O11 Ba1 O12 139.71(12) 4_576 .
O14 Ba1 O12 90.51(11) 4_576 .
O13 Ba1 O105 82.9(8) . .
O11 Ba1 O105 71.5(9) 4_576 .
O14 Ba1 O105 94.3(9) 4_576 .
O12 Ba1 O105 147.3(9) . .
O13 Ba1 O9 144.16(13) . 3_575
O11 Ba1 O9 80.83(12) 4_576 3_575
O14 Ba1 O9 114.12(12) 4_576 3_575
O12 Ba1 O9 75.04(11) . 3_575
O105 Ba1 O9 130.6(8) . 3_575
O13 Ba1 O104 64.2(2) . .
O11 Ba1 O104 77.48(18) 4_576 .
O14 Ba1 O104 75.6(2) 4_576 .
O12 Ba1 O104 133.1(2) . .
O105 Ba1 O104 22.7(7) . .
O9 Ba1 O104 151.5(2) 3_575 .
O13 Ba1 O7 64.45(12) . 2_544
O11 Ba1 O7 136.99(13) 4_576 2_544
O14 Ba1 O7 130.98(11) 4_576 2_544
O12 Ba1 O7 82.30(12) . 2_544
O105 Ba1 O7 70.2(9) . 2_544
O9 Ba1 O7 110.58(12) 3_575 2_544
O104 Ba1 O7 74.85(19) . 2_544
O13 Ba1 O106 134.76(17) . .
O11 Ba1 O106 64.87(16) 4_576 .
O14 Ba1 O106 133.25(16) 4_576 .
O12 Ba1 O106 133.27(18) . .
O105 Ba1 O106 59.2(8) . .
O9 Ba1 O106 72.26(19) 3_575 .
O104 Ba1 O106 81.8(3) . .
O7 Ba1 O106 79.04(16) 2_544 .
O13 Ba1 O8 102.69(12) . 2_544
O11 Ba1 O8 125.68(11) 4_576 2_544
O14 Ba1 O8 159.81(11) 4_576 2_544
O12 Ba1 O8 69.32(11) . 2_544
O105 Ba1 O8 102.2(9) . 2_544
O9 Ba1 O8 62.71(11) 3_575 2_544
O104 Ba1 O8 117.3(2) . 2_544
O7 Ba1 O8 47.89(10) 2_544 2_544
O106 Ba1 O8 66.35(16) . 2_544
O13 Ba1 S1 82.20(9) . 2_544
O11 Ba1 S1 137.75(9) 4_576 2_544
O14 Ba1 S1 149.35(8) 4_576 2_544
O12 Ba1 S1 72.85(8) . 2_544
O105 Ba1 S1 87.3(9) . 2_544
O9 Ba1 S1 86.82(9) 3_575 2_544
O104 Ba1 S1 96.90(18) . 2_544
O7 Ba1 S1 23.89(8) 2_544 2_544
O106 Ba1 S1 72.89(13) . 2_544
O8 Ba1 S1 24.12(7) 2_544 2_544
O19 Ba2 O101 77.03(11) . .
O19 Ba2 O20 133.74(12) . 4_576
O101 Ba2 O20 142.60(12) . 4_576
O19 Ba2 O23 113.47(14) . 2_645
O101 Ba2 O23 128.51(12) . 2_645
O20 Ba2 O23 65.70(13) 4_576 2_645
O19 Ba2 O24 77.89(17) . 3_676
O101 Ba2 O24 76.79(14) . 3_676
O20 Ba2 O24 88.66(17) 4_576 3_676
O23 Ba2 O24 153.13(15) 2_645 3_676
O19 Ba2 O107 64.89(19) . .
O101 Ba2 O107 136.6(3) . .
O20 Ba2 O107 68.93(19) 4_576 .
O23 Ba2 O107 87.1(3) 2_645 .
O24 Ba2 O107 75.7(4) 3_676 .
O19 Ba2 O17 148.17(11) . .
O101 Ba2 O17 75.12(10) . .
O20 Ba2 O17 78.01(11) 4_576 .
O23 Ba2 O17 73.84(13) 2_645 .
O24 Ba2 O17 109.99(15) 3_676 .
O107 Ba2 O17 146.43(19) . .
O19 Ba2 O18 74.72(12) . 4_575
O101 Ba2 O18 69.54(11) . 4_575
O20 Ba2 O18 130.95(11) 4_576 4_575
O23 Ba2 O18 65.96(11) 2_645 4_575
O24 Ba2 O18 140.34(15) 3_676 4_575
O107 Ba2 O18 116.2(3) . 4_575
O17 Ba2 O18 81.31(10) . 4_575
O19 Ba2 O18 135.65(10) . .
O101 Ba2 O18 73.27(10) . .
O20 Ba2 O18 69.40(11) 4_576 .
O23 Ba2 O18 110.75(12) 2_645 .
O24 Ba2 O18 63.85(15) 3_676 .
O107 Ba2 O18 121.3(3) . .
O17 Ba2 O18 46.98(9) . .
O18 Ba2 O18 122.28(12) 4_575 .
O19 Ba2 S4 144.82(8) . .
O101 Ba2 S4 68.71(8) . .
O20 Ba2 S4 76.28(9) 4_576 .
O23 Ba2 S4 94.52(11) 2_645 .
O24 Ba2 S4 86.57(13) 3_676 .
O107 Ba2 S4 141.0(2) . .
O17 Ba2 S4 23.43(7) . .
O18 Ba2 S4 99.77(8) 4_575 .
O18 Ba2 S4 24.20(6) . .
O4 Dy1 O3 72.98(11) . .
O4 Dy1 O1 107.62(12) . .
O3 Dy1 O1 69.05(11) . .
O4 Dy1 O5 141.19(11) . .
O3 Dy1 O5 76.02(11) . .
O1 Dy1 O5 81.86(12) . .
O4 Dy1 O2 73.75(11) . .
O3 Dy1 O2 115.02(11) . .
O1 Dy1 O2 70.41(11) . .
O5 Dy1 O2 142.13(11) . .
O4 Dy1 O6 78.83(11) . .
O3 Dy1 O6 78.01(11) . .
O1 Dy1 O6 142.15(11) . .
O5 Dy1 O6 72.34(11) . .
O2 Dy1 O6 143.67(11) . .
O4 Dy1 O103 145.70(12) . .
O3 Dy1 O103 138.58(13) . .
O1 Dy1 O103 80.89(13) . .
O5 Dy1 O103 71.97(12) . .
O2 Dy1 O103 78.45(12) . .
O6 Dy1 O103 115.21(12) . .
O4 Dy1 O102 80.93(13) . .
O3 Dy1 O102 146.58(13) . .
O1 Dy1 O102 140.65(12) . .
O5 Dy1 O102 115.91(13) . .
O2 Dy1 O102 75.81(12) . .
O6 Dy1 O102 76.73(13) . .
O103 Dy1 O102 73.01(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.342(6) .
C1 C2 1.377(7) .
C1 H1 0.9500 .
C2 C3 1.380(7) .
C2 H2 0.9500 .
C3 C4 1.377(7) .
C3 S1 1.776(5) .
C4 C5 1.375(7) .
C4 H4 0.9500 .
C5 N1 1.363(6) .
C5 C6 1.482(6) .
C6 N2 1.367(6) .
C6 C7 1.383(7) .
C7 C8 1.405(7) .
C7 H7 0.9500 .
C8 C9 1.376(7) .
C8 S2 1.780(5) .
C9 C10 1.386(7) .
C9 H9 0.9500 .
C10 N2 1.352(6) .
C10 H10 0.9500 .
C11 N3 1.341(6) .
C11 C12 1.382(7) .
C11 H11 0.9500 .
C12 C13 1.386(7) .
C12 H12 0.9500 .
C13 C14 1.387(7) .
C13 S3 1.780(5) .
C14 C15 1.391(6) .
C14 H14 0.9500 .
C15 N3 1.349(6) .
C15 C16 1.478(6) .
C16 N4 1.354(6) .
C16 C17 1.381(6) .
C17 C18 1.375(6) .
C17 H17 0.9500 .
C18 C19 1.392(7) .
C18 S4 1.784(5) .
C19 C20 1.368(7) .
C19 H19 0.9500 .
C20 N4 1.345(6) .
C20 H20 0.9500 .
C21 N5 1.354(6) .
C21 C22 1.363(7) .
C21 H21 0.9500 .
C22 C23 1.395(7) .
C22 H22 0.9500 .
C23 C24 1.385(7) .
C23 S5 1.783(5) .
C24 C25 1.381(6) .
C24 H24 0.9500 .
C25 N5 1.351(6) .
C25 C26 1.474(7) .
C26 N6 1.359(6) .
C26 C27 1.379(7) .
C27 C28 1.376(7) .
C27 H27 0.9500 .
C28 C29 1.387(7) .
C28 S6 1.778(5) .
C29 C30 1.372(7) .
C29 H29 0.9500 .
C30 N6 1.351(6) .
C30 H30 0.9500 .
N1 O1 1.320(5) .
N2 O2 1.325(5) .
N3 O3 1.330(5) .
N4 O4 1.336(5) .
N5 O5 1.331(5) .
N6 O6 1.315(5) .
O1 Dy1 2.340(3) .
O2 Dy1 2.373(3) .
O3 Dy1 2.335(3) .
O4 Dy1 2.333(3) .
O5 Dy1 2.348(3) .
O6 Dy1 2.378(3) .
O7 S1 1.448(4) .
O7 Ba1 2.933(5) 2_554
O8 S1 1.447(4) .
O8 Ba1 3.008(4) 2_554
O9 S1 1.441(4) .
O9 Ba1 2.861(4) 3_575
O10 S2 1.444(4) .
O11 S2 1.440(4) .
O11 Ba1 2.707(4) 4_575
O12 S2 1.448(4) .
O12 Ba1 2.797(4) .
O13 S3 1.438(4) .
O13 Ba1 2.648(4) .
O14 S3 1.456(4) .
O14 Ba1 2.756(4) 4_575
O15 S3 1.436(4) .
O16 S4 1.437(3) .
O17 S4 1.456(4) .
O17 Ba2 2.856(4) .
O18 S4 1.450(4) .
O18 Ba2 2.882(4) 4_576
O18 Ba2 3.144(4) .
O19 S5 1.444(4) .
O19 Ba2 2.690(4) .
O20 S5 1.435(4) .
O20 Ba2 2.742(4) 4_575
O21 S5 1.443(4) .
O22 S6 1.450(5) .
O23 S6 1.428(4) .
O23 Ba2 2.776(5) 2_655
O24 S6 1.423(5) .
O24 Ba2 2.805(5) 3_676
O101 Ba2 2.733(4) .
O102 Dy1 2.404(4) .
O103 Dy1 2.378(3) .
O104 Ba1 2.932(7) .
O105 Ba1 2.81(3) .
O106 Ba1 3.005(7) .
O107 Ba2 2.822(8) .
S1 Ba1 3.5088(18) 2_554
S4 Ba2 3.5322(14) .
Ba1 O11 2.707(4) 4_576
Ba1 O14 2.756(4) 4_576
Ba1 O9 2.861(4) 3_575
Ba1 O7 2.933(5) 2_544
Ba1 O8 3.008(4) 2_544
Ba1 S1 3.5088(18) 2_544
Ba2 O20 2.742(4) 4_576
Ba2 O23 2.776(5) 2_645
Ba2 O24 2.805(5) 3_676
Ba2 O18 2.882(4) 4_575
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
N1 C1 C2 C3 -0.6(8) . .
C1 C2 C3 C4 -0.2(8) . .
C1 C2 C3 S1 176.8(4) . .
C2 C3 C4 C5 1.7(7) . .
S1 C3 C4 C5 -175.3(4) . .
C3 C4 C5 N1 -2.3(7) . .
C3 C4 C5 C6 -178.8(5) . .
N1 C5 C6 N2 62.8(6) . .
C4 C5 C6 N2 -120.7(5) . .
N1 C5 C6 C7 -119.1(5) . .
C4 C5 C6 C7 57.4(7) . .
N2 C6 C7 C8 0.1(7) . .
C5 C6 C7 C8 -177.9(4) . .
C6 C7 C8 C9 0.0(7) . .
C6 C7 C8 S2 -179.8(4) . .
C7 C8 C9 C10 -0.4(7) . .
S2 C8 C9 C10 179.4(4) . .
C8 C9 C10 N2 0.8(8) . .
N3 C11 C12 C13 -1.1(7) . .
C11 C12 C13 C14 1.8(7) . .
C11 C12 C13 S3 -176.6(4) . .
C12 C13 C14 C15 -1.3(7) . .
S3 C13 C14 C15 177.2(3) . .
C13 C14 C15 N3 0.1(7) . .
C13 C14 C15 C16 -169.6(4) . .
N3 C15 C16 N4 62.9(6) . .
C14 C15 C16 N4 -127.4(5) . .
N3 C15 C16 C17 -113.9(5) . .
C14 C15 C16 C17 55.8(6) . .
N4 C16 C17 C18 -1.9(7) . .
C15 C16 C17 C18 175.0(4) . .
C16 C17 C18 C19 3.2(7) . .
C16 C17 C18 S4 -173.0(4) . .
C17 C18 C19 C20 -1.4(7) . .
S4 C18 C19 C20 174.6(4) . .
C18 C19 C20 N4 -1.6(8) . .
N5 C21 C22 C23 0.9(7) . .
C21 C22 C23 C24 -0.6(7) . .
C21 C22 C23 S5 176.7(4) . .
C22 C23 C24 C25 1.1(7) . .
S5 C23 C24 C25 -176.4(3) . .
C23 C24 C25 N5 -1.8(7) . .
C23 C24 C25 C26 179.8(4) . .
N5 C25 C26 N6 63.5(6) . .
C24 C25 C26 N6 -118.1(5) . .
N5 C25 C26 C27 -123.3(5) . .
C24 C25 C26 C27 55.1(7) . .
N6 C26 C27 C28 0.4(7) . .
C25 C26 C27 C28 -172.7(5) . .
C26 C27 C28 C29 0.7(8) . .
C26 C27 C28 S6 178.6(4) . .
C27 C28 C29 C30 -0.8(8) . .
S6 C28 C29 C30 -178.6(4) . .
C28 C29 C30 N6 -0.3(8) . .
C2 C1 N1 O1 179.4(5) . .
C2 C1 N1 C5 -0.1(8) . .
C4 C5 N1 O1 -177.9(4) . .
C6 C5 N1 O1 -1.3(6) . .
C4 C5 N1 C1 1.6(7) . .
C6 C5 N1 C1 178.2(5) . .
C9 C10 N2 O2 178.5(4) . .
C9 C10 N2 C6 -0.8(7) . .
C7 C6 N2 O2 -179.0(4) . .
C5 C6 N2 O2 -0.8(6) . .
C7 C6 N2 C10 0.3(7) . .
C5 C6 N2 C10 178.4(4) . .
C12 C11 N3 O3 175.0(4) . .
C12 C11 N3 C15 -0.2(7) . .
C14 C15 N3 O3 -174.6(4) . .
C16 C15 N3 O3 -4.7(6) . .
C14 C15 N3 C11 0.7(7) . .
C16 C15 N3 C11 170.6(4) . .
C19 C20 N4 O4 -177.9(4) . .
C19 C20 N4 C16 3.0(7) . .
C17 C16 N4 O4 179.7(4) . .
C15 C16 N4 O4 2.9(6) . .
C17 C16 N4 C20 -1.3(7) . .
C15 C16 N4 C20 -178.1(4) . .
C24 C25 N5 O5 -174.6(4) . .
C26 C25 N5 O5 3.8(6) . .
C24 C25 N5 C21 2.1(6) . .
C26 C25 N5 C21 -179.5(4) . .
C22 C21 N5 O5 175.1(4) . .
C22 C21 N5 C25 -1.6(7) . .
C29 C30 N6 O6 178.6(5) . .
C29 C30 N6 C26 1.5(8) . .
C27 C26 N6 O6 -178.7(4) . .
C25 C26 N6 O6 -5.3(6) . .
C27 C26 N6 C30 -1.5(7) . .
C25 C26 N6 C30 171.8(4) . .
C1 N1 O1 Dy1 91.2(5) . .
C5 N1 O1 Dy1 -89.3(4) . .
C10 N2 O2 Dy1 90.8(4) . .
C6 N2 O2 Dy1 -90.0(4) . .
C11 N3 O3 Dy1 98.2(4) . .
C15 N3 O3 Dy1 -86.4(4) . .
C20 N4 O4 Dy1 94.3(4) . .
C16 N4 O4 Dy1 -86.7(4) . .
C25 N5 O5 Dy1 -87.6(4) . .
C21 N5 O5 Dy1 95.7(4) . .
C30 N6 O6 Dy1 96.4(5) . .
C26 N6 O6 Dy1 -86.4(4) . .
Ba1 O9 S1 O8 127.9(2) 3_575 .
Ba1 O9 S1 O7 -1.8(3) 3_575 .
Ba1 O9 S1 C3 -117.4(2) 3_575 .
Ba1 O9 S1 Ba1 61.2(3) 3_575 2_554
Ba1 O8 S1 O9 -122.6(2) 2_554 .
Ba1 O8 S1 O7 7.2(3) 2_554 .
Ba1 O8 S1 C3 122.23(19) 2_554 .
Ba1 O7 S1 O9 122.2(2) 2_554 .
Ba1 O7 S1 O8 -7.5(3) 2_554 .
Ba1 O7 S1 C3 -122.1(2) 2_554 .
C4 C3 S1 O9 98.4(5) . .
C2 C3 S1 O9 -78.5(5) . .
C4 C3 S1 O8 -141.8(4) . .
C2 C3 S1 O8 41.3(5) . .
C4 C3 S1 O7 -22.0(5) . .
C2 C3 S1 O7 161.1(4) . .
C4 C3 S1 Ba1 -80.2(4) . 2_554
C2 C3 S1 Ba1 102.8(4) . 2_554
Ba1 O11 S2 O10 -64.6(5) 4_575 .
Ba1 O11 S2 O12 67.7(5) 4_575 .
Ba1 O11 S2 C8 -178.1(4) 4_575 .
Ba1 O12 S2 O11 9.6(5) . .
Ba1 O12 S2 O10 141.6(4) . .
Ba1 O12 S2 C8 -104.4(4) . .
C9 C8 S2 O11 -126.8(4) . .
C7 C8 S2 O11 53.0(4) . .
C9 C8 S2 O10 114.2(4) . .
C7 C8 S2 O10 -66.0(4) . .
C9 C8 S2 O12 -5.6(5) . .
C7 C8 S2 O12 174.2(4) . .
Ba1 O13 S3 O15 -20.3(9) . .
Ba1 O13 S3 O14 110.5(8) . .
Ba1 O13 S3 C13 -134.7(8) . .
Ba1 O14 S3 O15 130.6(3) 4_575 .
Ba1 O14 S3 O13 -0.5(4) 4_575 .
Ba1 O14 S3 C13 -114.2(3) 4_575 .
C12 C13 S3 O15 112.4(4) . .
C14 C13 S3 O15 -66.0(4) . .
C12 C13 S3 O13 -127.8(4) . .
C14 C13 S3 O13 53.8(4) . .
C12 C13 S3 O14 -7.6(5) . .
C14 C13 S3 O14 174.0(4) . .
Ba2 O18 S4 O16 -9.8(4) 4_576 .
Ba2 O18 S4 O16 146.19(18) . .
Ba2 O18 S4 O17 -140.7(3) 4_576 .
Ba2 O18 S4 O17 15.4(2) . .
Ba2 O18 S4 C18 105.7(3) 4_576 .
Ba2 O18 S4 C18 -98.25(18) . .
Ba2 O18 S4 Ba2 -156.0(3) 4_576 .
Ba2 O17 S4 O16 -148.58(18) . .
Ba2 O17 S4 O18 -17.6(2) . .
Ba2 O17 S4 C18 96.47(19) . .
C17 C18 S4 O16 -100.6(4) . .
C19 C18 S4 O16 83.3(4) . .
C17 C18 S4 O18 138.1(4) . .
C19 C18 S4 O18 -37.9(5) . .
C17 C18 S4 O17 19.9(4) . .
C19 C18 S4 O17 -156.2(4) . .
C17 C18 S4 Ba2 72.9(4) . .
C19 C18 S4 Ba2 -103.1(4) . .
Ba2 O20 S5 O21 140.8(5) 4_575 .
Ba2 O20 S5 O19 10.5(6) 4_575 .
Ba2 O20 S5 C23 -103.8(5) 4_575 .
Ba2 O19 S5 O20 -52.3(5) . .
Ba2 O19 S5 O21 177.2(4) . .
Ba2 O19 S5 C23 62.5(5) . .
C24 C23 S5 O20 175.4(4) . .
C22 C23 S5 O20 -1.9(5) . .
C24 C23 S5 O21 -64.3(4) . .
C22 C23 S5 O21 118.4(4) . .
C24 C23 S5 O19 55.0(4) . .
C22 C23 S5 O19 -122.3(4) . .
Ba2 O24 S6 O23 -89.7(5) 3_676 .
Ba2 O24 S6 O22 39.9(6) 3_676 .
Ba2 O24 S6 C28 152.4(4) 3_676 .
Ba2 O23 S6 O24 -13.8(4) 2_655 .
Ba2 O23 S6 O22 -144.1(3) 2_655 .
Ba2 O23 S6 C28 104.1(3) 2_655 .
C27 C28 S6 O24 138.7(5) . .
C29 C28 S6 O24 -43.5(6) . .
C27 C28 S6 O23 13.2(5) . .
C29 C28 S6 O23 -168.9(5) . .
C27 C28 S6 O22 -103.3(5) . .
C29 C28 S6 O22 74.5(5) . .
S3 O13 Ba1 O11 56.7(9) . 4_576
S3 O13 Ba1 O14 94.8(9) . 4_576
S3 O13 Ba1 O12 -165.6(9) . .
S3 O13 Ba1 O105 -2.8(12) . .
S3 O13 Ba1 O9 -164.5(8) . 3_575
S3 O13 Ba1 O104 10.6(8) . .
S3 O13 Ba1 O7 -74.3(8) . 2_544
S3 O13 Ba1 O106 -34.7(9) . .
S3 O13 Ba1 O8 -103.9(8) . 2_544
S3 O13 Ba1 S1 -91.0(8) . 2_544
S2 O12 Ba1 O13 21.1(4) . .
S2 O12 Ba1 O11 146.5(4) . 4_576
S2 O12 Ba1 O14 86.9(4) . 4_576
S2 O12 Ba1 O105 -11.9(17) . .
S2 O12 Ba1 O9 -158.2(5) . 3_575
S2 O12 Ba1 O104 16.3(6) . .
S2 O12 Ba1 O7 -44.4(4) . 2_544
S2 O12 Ba1 O106 -111.4(5) . .
S2 O12 Ba1 O8 -92.2(4) . 2_544
S2 O12 Ba1 S1 -66.9(4) . 2_544
S5 O19 Ba2 O101 -56.0(4) . .
S5 O19 Ba2 O20 148.7(4) . 4_576
S5 O19 Ba2 O23 70.6(5) . 2_645
S5 O19 Ba2 O24 -135.0(5) . 3_676
S5 O19 Ba2 O107 145.2(6) . .
S5 O19 Ba2 O17 -26.5(6) . .
S5 O19 Ba2 O18 16.0(4) . 4_575
S5 O19 Ba2 O18 -104.8(4) . .
S5 O19 Ba2 S4 -69.3(5) . .
S4 O17 Ba2 O19 -100.4(3) . .
S4 O17 Ba2 O101 -70.61(18) . .
S4 O17 Ba2 O20 83.11(19) . 4_576
S4 O17 Ba2 O23 151.0(2) . 2_645
S4 O17 Ba2 O24 -1.0(2) . 3_676
S4 O17 Ba2 O107 93.2(6) . .
S4 O17 Ba2 O18 -141.63(18) . 4_575
S4 O17 Ba2 O18 10.20(13) . .
S4 O18 Ba2 O19 125.16(17) . .
Ba2 O18 Ba2 O19 -72.34(19) 4_576 .
S4 O18 Ba2 O101 75.17(16) . .
Ba2 O18 Ba2 O101 -122.33(15) 4_576 .
S4 O18 Ba2 O20 -102.60(18) . 4_576
Ba2 O18 Ba2 O20 59.90(14) 4_576 4_576
S4 O18 Ba2 O23 -50.38(19) . 2_645
Ba2 O18 Ba2 O23 112.12(15) 4_576 2_645
S4 O18 Ba2 O24 158.4(2) . 3_676
Ba2 O18 Ba2 O24 -39.12(17) 4_576 3_676
S4 O18 Ba2 O107 -149.9(3) . .
Ba2 O18 Ba2 O107 12.6(4) 4_576 .
S4 O18 Ba2 O17 -9.89(13) . .
Ba2 O18 Ba2 O17 152.61(19) 4_576 .
S4 O18 Ba2 O18 23.61(11) . 4_575
Ba2 O18 Ba2 O18 -173.89(15) 4_576 4_575
Ba2 O18 Ba2 S4 162.5(3) 4_576 .
O16 S4 Ba2 O19 -174.3(4) . .
O18 S4 Ba2 O19 -82.6(2) . .
O17 S4 Ba2 O19 115.8(2) . .
C18 S4 Ba2 O19 17.9(2) . .
O16 S4 Ba2 O101 171.8(3) . .
O18 S4 Ba2 O101 -96.51(18) . .
O17 S4 Ba2 O101 101.9(2) . .
C18 S4 Ba2 O101 4.00(18) . .
O16 S4 Ba2 O20 -21.6(3) . 4_576
O18 S4 Ba2 O20 70.11(18) . 4_576
O17 S4 Ba2 O20 -91.5(2) . 4_576
C18 S4 Ba2 O20 170.62(18) . 4_576
O16 S4 Ba2 O23 42.0(3) . 2_645
O18 S4 Ba2 O23 133.74(18) . 2_645
O17 S4 Ba2 O23 -27.85(19) . 2_645
C18 S4 Ba2 O23 -125.75(18) . 2_645
O16 S4 Ba2 O24 -111.1(4) . 3_676
O18 S4 Ba2 O24 -19.3(2) . 3_676
O17 S4 Ba2 O24 179.1(2) . 3_676
C18 S4 Ba2 O24 81.2(2) . 3_676
O16 S4 Ba2 O107 -48.9(6) . .
O18 S4 Ba2 O107 42.8(5) . .
O17 S4 Ba2 O107 -118.8(5) . .
C18 S4 Ba2 O107 143.3(5) . .
O16 S4 Ba2 O17 69.9(4) . .
O18 S4 Ba2 O17 161.6(2) . .
C18 S4 Ba2 O17 -97.9(2) . .
O16 S4 Ba2 O18 108.4(3) . 4_575
O18 S4 Ba2 O18 -159.91(10) . 4_575
O17 S4 Ba2 O18 38.51(19) . 4_575
C18 S4 Ba2 O18 -59.40(17) . 4_575
O16 S4 Ba2 O18 -91.7(4) . .
O17 S4 Ba2 O18 -161.6(2) . .
C18 S4 Ba2 O18 100.5(2) . .
N4 O4 Dy1 O3 48.1(3) . .
N4 O4 Dy1 O1 108.7(3) . .
N4 O4 Dy1 O5 9.7(4) . .
N4 O4 Dy1 O2 171.4(3) . .
N4 O4 Dy1 O6 -32.7(3) . .
N4 O4 Dy1 O103 -151.4(3) . .
N4 O4 Dy1 O102 -110.8(3) . .
N3 O3 Dy1 O4 56.3(3) . .
N3 O3 Dy1 O1 -60.8(3) . .
N3 O3 Dy1 O5 -147.3(3) . .
N3 O3 Dy1 O2 -5.9(3) . .
N3 O3 Dy1 O6 138.2(3) . .
N3 O3 Dy1 O103 -107.1(3) . .
N3 O3 Dy1 O102 96.6(4) . .
N1 O1 Dy1 O4 117.2(3) . .
N1 O1 Dy1 O3 -179.5(3) . .
N1 O1 Dy1 O5 -101.5(3) . .
N1 O1 Dy1 O2 52.4(3) . .
N1 O1 Dy1 O6 -148.3(3) . .
N1 O1 Dy1 O103 -28.5(3) . .
N1 O1 Dy1 O102 20.0(4) . .
N5 O5 Dy1 O4 3.2(4) . .
N5 O5 Dy1 O3 -34.5(3) . .
N5 O5 Dy1 O1 -104.9(3) . .
N5 O5 Dy1 O2 -147.5(3) . .
N5 O5 Dy1 O6 47.1(3) . .
N5 O5 Dy1 O103 172.1(3) . .
N5 O5 Dy1 O102 112.1(3) . .
N2 O2 Dy1 O4 -61.9(3) . .
N2 O2 Dy1 O3 0.0(3) . .
N2 O2 Dy1 O1 54.1(3) . .
N2 O2 Dy1 O5 99.5(3) . .
N2 O2 Dy1 O6 -104.4(3) . .
N2 O2 Dy1 O103 138.5(3) . .
N2 O2 Dy1 O102 -146.4(3) . .
N6 O6 Dy1 O4 -149.6(3) . .
N6 O6 Dy1 O3 135.7(3) . .
N6 O6 Dy1 O1 106.0(3) . .
N6 O6 Dy1 O5 56.7(3) . .
N6 O6 Dy1 O2 -108.1(3) . .
N6 O6 Dy1 O103 -2.7(4) . .
N6 O6 Dy1 O102 -66.4(3) . .
