#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/79/2227932.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_2227932
loop_
_publ_author_name
'Zhang, Jinfang'
_publ_section_title
;
 catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ²O,O')dysprosium(III)]
 [molybdenum(VI)-di-μ-sulfido-silver(I)-di-μ-sulfido]]
;
_journal_coeditor_code           PV2340
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1479
_journal_paper_doi               10.1107/S1600536810042728
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Dy (N O3)2 (C6 H18 N3 O P)4] [Ag Mo S4]'
_chemical_formula_moiety         'C24 H72 Dy N14 O10 P4 +, Ag Mo S4 -'
_chemical_formula_sum            'C24 H72 Ag Dy Mo N14 O10 P4 S4'
_chemical_formula_weight         1335.43
_chemical_name_systematic
;
catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-
κ²O,O')dysprosium(III)]
[molybdenum(VI)-di-μ-sulfido-silver(I)-di-μ-sulfido]]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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           'SHELXTL (Sheldrick, 2008)'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.786(3)
_cell_length_b                   29.671(6)
_cell_length_c                   11.331(2)
_cell_measurement_reflns_used    22208
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.0920
_cell_measurement_theta_min      2.7338
_cell_volume                     5306.6(17)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       dtprofit.ref
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            25288
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.73
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.325
_exptl_absorpt_correction_T_max  0.658
_exptl_absorpt_correction_T_min  0.503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2008)'
_exptl_crystal_colour            black-red
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2692
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.001
_refine_diff_density_min         -0.999
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         10445
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0317
_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)+(0.0305P)²+8.9291P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0701
_refine_ls_wR_factor_ref         0.0740
_reflns_number_gt                9394
_reflns_number_total             10445
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            pv2340.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2227932
_cod_database_fobs_code          2227932
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_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_disorder_assembly
_atom_site_disorder_group
Dy Dy1 0.737719(10) 0.082623(5) 0.827853(15) 0.01950(5) Uani d . 1 . .
P P1 0.52135(6) 0.13298(3) 0.82207(9) 0.0266(2) Uani d . 1 . .
P P2 0.69790(7) -0.03042(3) 0.69823(9) 0.0289(2) Uani d . 1 . .
P P3 0.95845(6) 0.09627(3) 0.73131(10) 0.0283(2) Uani d . 1 . .
P P4 0.79428(8) 0.14677(4) 1.09803(10) 0.0402(3) Uani d . 1 . .
O O1 0.60267(15) 0.10717(8) 0.8236(2) 0.0274(6) Uani d . 1 . .
O O2 0.70672(16) 0.01805(8) 0.7283(2) 0.0286(6) Uani d . 1 . .
O O3 0.87595(15) 0.08051(8) 0.7800(2) 0.0298(6) Uani d . 1 . .
O O4 0.77256(16) 0.12686(8) 0.9820(2) 0.0300(6) Uani d . 1 . .
O O5 0.80099(16) 0.02668(9) 0.9669(2) 0.0321(6) Uani d . 1 . .
O O6 0.66868(16) 0.04088(9) 0.9901(2) 0.0311(6) Uani d . 1 . .
O O7 0.75133(17) 0.15817(8) 0.7373(2) 0.0331(6) Uani d . 1 . .
O O8 0.72330(18) 0.10333(9) 0.6184(2) 0.0326(6) Uani d . 1 . .
O O9 0.7368(2) 0.00134(11) 1.1224(3) 0.0496(8) Uani d . 1 . .
O O10 0.7251(3) 0.17185(11) 0.5514(3) 0.0670(11) Uani d . 1 . .
N N1 0.44407(19) 0.09830(12) 0.8493(3) 0.0319(7) Uani d . 1 . .
N N2 0.5226(2) 0.17305(12) 0.9216(4) 0.0427(9) Uani d . 1 . .
N N3 0.5055(2) 0.15715(15) 0.6955(3) 0.0495(10) Uani d . 1 . .
N N4 0.7203(2) -0.03716(11) 0.5583(3) 0.0367(8) Uani d . 1 . .
N N5 0.6051(2) -0.04792(13) 0.7374(4) 0.0522(11) Uani d . 1 . .
N N6 0.7637(3) -0.06553(12) 0.7669(3) 0.0468(10) Uani d . 1 . .
N N7 1.0342(2) 0.07053(13) 0.8029(3) 0.0414(9) Uani d . 1 . .
N N8 0.9831(2) 0.14915(12) 0.7387(4) 0.0458(10) Uani d . 1 . .
N N9 0.9562(2) 0.08656(14) 0.5884(3) 0.0466(10) Uani d . 1 . .
N N10 0.8965(3) 0.13862(15) 1.1254(5) 0.0758(16) Uani d . 1 . .
N N11 0.7738(3) 0.20013(12) 1.0971(3) 0.0533(11) Uani d . 1 . .
N N12 0.7402(4) 0.12385(16) 1.2004(4) 0.0725(15) Uani d . 1 . .
N N13 0.7356(2) 0.02235(10) 1.0295(3) 0.0310(7) Uani d . 1 . .
N N14 0.7330(2) 0.14538(11) 0.6336(3) 0.0359(8) Uani d . 1 . .
C C1 0.3560(2) 0.10709(18) 0.8134(4) 0.0465(12) Uani d . 1 . .
H H1A 0.3296 0.0794 0.7889 0.070 Uiso calc R 1 . .
H H1B 0.3548 0.1281 0.7491 0.070 Uiso calc R 1 . .
H H1C 0.3259 0.1195 0.8789 0.070 Uiso calc R 1 . .
C C2 0.4534(3) 0.06453(15) 0.9437(4) 0.0402(10) Uani d . 1 . .
H H2A 0.4317 0.0766 1.0159 0.060 Uiso calc R 1 . .
H H2B 0.5122 0.0571 0.9545 0.060 Uiso calc R 1 . .
H H2C 0.4223 0.0379 0.9224 0.060 Uiso calc R 1 . .
C C3 0.4539(3) 0.18330(17) 1.0017(5) 0.0557(13) Uani d . 1 . .
H H3A 0.4769 0.1892 1.0791 0.084 Uiso calc R 1 . .
H H3B 0.4159 0.1581 1.0050 0.084 Uiso calc R 1 . .
H H3C 0.4237 0.2094 0.9737 0.084 Uiso calc R 1 . .
C C4 0.5898(3) 0.20739(17) 0.9192(6) 0.0673(17) Uani d . 1 . .
H H4A 0.5676 0.2348 0.8859 0.101 Uiso calc R 1 . .
H H4B 0.6357 0.1968 0.8720 0.101 Uiso calc R 1 . .
H H4C 0.6101 0.2130 0.9982 0.101 Uiso calc R 1 . .
C C5 0.4640(4) 0.2012(2) 0.6806(6) 0.084(2) Uani d . 1 . .
H H5A 0.5023 0.2218 0.6437 0.127 Uiso calc R 1 . .
H H5B 0.4485 0.2127 0.7564 0.127 Uiso calc R 1 . .
H H5C 0.4141 0.1978 0.6319 0.127 Uiso calc R 1 . .
C C6 0.5176(4) 0.1322(3) 0.5889(5) 0.086(2) Uani d . 1 . .
H H6A 0.4638 0.1274 0.5502 0.128 Uiso calc R 1 . .
H H6B 0.5430 0.1036 0.6073 0.128 Uiso calc R 1 . .
H H6C 0.5539 0.1489 0.5376 0.128 Uiso calc R 1 . .
C C7 0.7262(3) -0.08241(15) 0.5065(4) 0.0511(13) Uani d . 1 . .
H H7A 0.6722 -0.0908 0.4732 0.077 Uiso calc R 1 . .
H H7B 0.7424 -0.1036 0.5667 0.077 Uiso calc R 1 . .
H H7C 0.7679 -0.0823 0.4457 0.077 Uiso calc R 1 . .
C C8 0.6988(3) -0.00220(17) 0.4730(4) 0.0520(13) Uani d . 1 . .
H H8A 0.7392 -0.0024 0.4107 0.078 Uiso calc R 1 . .
H H8B 0.6996 0.0266 0.5114 0.078 Uiso calc R 1 . .
H H8C 0.6432 -0.0078 0.4407 0.078 Uiso calc R 1 . .
C C9 0.5347(3) -0.01677(19) 0.7464(6) 0.0659(16) Uani d . 1 . .
H H9A 0.5057 -0.0147 0.6714 0.099 Uiso calc R 1 . .
H H9B 0.5555 0.0124 0.7689 0.099 Uiso calc R 1 . .
H H9C 0.4961 -0.0275 0.8047 0.099 Uiso calc R 1 . .
C C10 0.5811(4) -0.0960(2) 0.7209(6) 0.083(2) Uani d . 1 . .
H H10A 0.5437 -0.1050 0.7826 0.124 Uiso calc R 1 . .
H H10B 0.6311 -0.1144 0.7237 0.124 Uiso calc R 1 . .
H H10C 0.5529 -0.0997 0.6458 0.124 Uiso calc R 1 . .
C C11 0.7531(5) -0.08082(19) 0.8861(6) 0.0775(19) Uani d . 1 . .
H H11A 0.7570 -0.1131 0.8885 0.116 Uiso calc R 1 . .
H H11B 0.6986 -0.0716 0.9136 0.116 Uiso calc R 1 . .
H H11C 0.7967 -0.0680 0.9358 0.116 Uiso calc R 1 . .
C C12 0.8532(4) -0.0681(2) 0.7337(6) 0.084(2) Uani d . 1 . .
H H12A 0.8873 -0.0522 0.7909 0.126 Uiso calc R 1 . .
H H12B 0.8601 -0.0546 0.6574 0.126 Uiso calc R 1 . .
H H12C 0.8705 -0.0991 0.7309 0.126 Uiso calc R 1 . .
C C13 1.1235(3) 0.0808(2) 0.7837(6) 0.077(2) Uani d . 1 . .
H H13A 1.1532 0.0817 0.8583 0.116 Uiso calc R 1 . .
H H13B 1.1282 0.1095 0.7453 0.116 Uiso calc R 1 . .
H H13C 1.1478 0.0578 0.7349 0.116 Uiso calc R 1 . .
C C14 1.0206(3) 0.02790(17) 0.8615(5) 0.0635(16) Uani d . 1 . .
H H14A 1.0337 0.0037 0.8086 0.095 Uiso calc R 1 . .
H H14B 0.9624 0.0257 0.8843 0.095 Uiso calc R 1 . .
H H14C 1.0566 0.0260 0.9304 0.095 Uiso calc R 1 . .
C C15 0.9514(3) 0.18288(18) 0.6533(7) 0.086(2) Uani d . 1 . .
H H15A 0.9078 0.2006 0.6890 0.129 Uiso calc R 1 . .
H H15B 0.9286 0.1678 0.5849 0.129 Uiso calc R 1 . .
H H15C 0.9971 0.2022 0.6305 0.129 Uiso calc R 1 . .
C C16 1.0139(4) 0.1688(2) 0.8498(6) 0.085(2) Uani d . 1 . .
H H16A 1.0576 0.1903 0.8338 0.127 Uiso calc R 1 . .
H H16B 1.0365 0.1454 0.8997 0.127 Uiso calc R 1 . .
H H16C 0.9680 0.1835 0.8888 0.127 Uiso calc R 1 . .
C C17 0.9077(3) 0.04800(19) 0.5440(4) 0.0566(14) Uani d . 1 . .
H H17A 0.8956 0.0520 0.4614 0.085 Uiso calc R 1 . .
H H17B 0.8556 0.0457 0.5860 0.085 Uiso calc R 1 . .
H H17C 0.9402 0.0209 0.5554 0.085 Uiso calc R 1 . .
C C18 1.0304(4) 0.0961(2) 0.5161(5) 0.0771(19) Uani d . 1 . .
H H18A 1.0707 0.0721 0.5246 0.116 Uiso calc R 1 . .
H H18B 1.0559 0.1239 0.5416 0.116 Uiso calc R 1 . .
H H18C 1.0130 0.0987 0.4348 0.116 Uiso calc R 1 . .
C C19 0.9354(4) 0.0953(2) 1.1108(7) 0.086(2) Uani d . 1 . .
H H19A 0.9904 0.0990 1.0771 0.129 Uiso calc R 1 . .
H H19B 0.9007 0.0770 1.0593 0.129 Uiso calc R 1 . .
H H19C 0.9411 0.0807 1.1862 0.129 Uiso calc R 1 . .
C C20 0.9515(5) 0.1716(3) 1.1851(7) 0.110(3) Uani d . 1 . .
H H20A 0.9491 0.1672 1.2689 0.166 Uiso calc R 1 . .
H H20B 0.9328 0.2015 1.1657 0.166 Uiso calc R 1 . .
H H20C 1.0087 0.1676 1.1596 0.166 Uiso calc R 1 . .
C C21 0.8026(4) 0.22745(14) 0.9966(4) 0.0508(13) Uani d . 1 . .
H H21A 0.7646 0.2523 0.9844 0.076 Uiso calc R 1 . .
H H21B 0.8035 0.2091 0.9268 0.076 Uiso calc R 1 . .
H H21C 0.8586 0.2387 1.0133 0.076 Uiso calc R 1 . .
C C22 0.7481(6) 0.22620(19) 1.2004(5) 0.095(3) Uani d . 1 . .
H H22A 0.7955 0.2433 1.2299 0.142 Uiso calc R 1 . .
H H22B 0.7290 0.2060 1.2607 0.142 Uiso calc R 1 . .
H H22C 0.7029 0.2463 1.1782 0.142 Uiso calc R 1 . .
C C23 0.6502(5) 0.1210(2) 1.1891(6) 0.092(2) Uani d . 1 . .
H H23A 0.6327 0.0903 1.1994 0.138 Uiso calc R 1 . .
H H23B 0.6328 0.1313 1.1121 0.138 Uiso calc R 1 . .
H H23C 0.6246 0.1395 1.2481 0.138 Uiso calc R 1 . .
C C24 0.7796(7) 0.1055(3) 1.3091(6) 0.129(4) Uani d . 1 . .
H H24A 0.7501 0.1167 1.3764 0.194 Uiso calc R 1 . .
H H24B 0.8378 0.1147 1.3139 0.194 Uiso calc R 1 . .
H H24C 0.7764 0.0732 1.3076 0.194 Uiso calc R 1 . .
Mo Mo1 0.215792(19) 0.271918(10) -0.02476(3) 0.02053(8) Uani d . 1 . .
Ag Ag1 0.21712(2) 0.234959(11) 0.21455(3) 0.03744(9) Uani d . 1 . .
S S1 0.21612(7) 0.19909(3) 0.01654(9) 0.0339(2) Uani d . 1 . .
S S2 0.21379(7) 0.31529(3) 0.13294(8) 0.0300(2) Uani d . 1 . .
S S3 0.10204(6) 0.28647(4) -0.13144(9) 0.0363(2) Uani d . 1 . .
S S4 0.33020(6) 0.28755(4) -0.12530(9) 0.0346(2) Uani d . 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'
Ag Ag -0.8971 1.1015 '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'
Mo Mo -1.6832 0.6857 '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'
P P 0.1023 0.0942 '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
O4 Dy1 O1 . . 92.72(9) ?
O4 Dy1 O3 . . 88.71(10) ?
O1 Dy1 O3 . . 157.20(9) ?
O4 Dy1 O2 . . 157.93(9) ?
O1 Dy1 O2 . . 93.77(9) ?
O3 Dy1 O2 . . 93.36(9) ?
O4 Dy1 O8 . . 128.49(9) ?
O1 Dy1 O8 . . 79.97(10) ?
O3 Dy1 O8 . . 81.37(10) ?
O2 Dy1 O8 . . 73.47(9) ?
O4 Dy1 O7 . . 76.79(9) ?
O1 Dy1 O7 . . 77.70(9) ?
O3 Dy1 O7 . . 80.50(9) ?
O2 Dy1 O7 . . 125.22(9) ?
O8 Dy1 O7 . . 51.75(9) ?
O4 Dy1 O6 . . 79.67(9) ?
O1 Dy1 O6 . . 75.55(9) ?
O3 Dy1 O6 . . 126.97(9) ?
O2 Dy1 O6 . . 81.58(9) ?
O8 Dy1 O6 . . 143.55(9) ?
O7 Dy1 O6 . . 143.17(9) ?
O4 Dy1 O5 . . 78.85(9) ?
O1 Dy1 O5 . . 126.84(9) ?
O3 Dy1 O5 . . 75.75(9) ?
O2 Dy1 O5 . . 80.39(9) ?
O8 Dy1 O5 . . 143.94(9) ?
O7 Dy1 O5 . . 146.12(9) ?
O6 Dy1 O5 . . 51.29(8) ?
O4 Dy1 N14 . . 102.67(10) ?
O1 Dy1 N14 . . 76.24(10) ?
O3 Dy1 N14 . . 81.24(10) ?
O2 Dy1 N14 . . 99.36(10) ?
O8 Dy1 N14 . . 25.94(9) ?
O7 Dy1 N14 . . 25.88(9) ?
O6 Dy1 N14 . . 151.78(9) ?
O5 Dy1 N14 . . 156.92(9) ?
O4 Dy1 N13 . . 75.74(9) ?
O1 Dy1 N13 . . 101.14(10) ?
O3 Dy1 N13 . . 101.26(10) ?
O2 Dy1 N13 . . 82.32(9) ?
O8 Dy1 N13 . . 155.77(9) ?
O7 Dy1 N13 . . 152.42(9) ?
O6 Dy1 N13 . . 25.72(8) ?
O5 Dy1 N13 . . 25.76(9) ?
N14 Dy1 N13 . . 176.94(10) ?
O1 P1 N3 . . 110.93(19) ?
O1 P1 N1 . . 108.65(16) ?
N3 P1 N1 . . 110.02(19) ?
O1 P1 N2 . . 111.29(17) ?
N3 P1 N2 . . 106.7(2) ?
N1 P1 N2 . . 109.18(19) ?
O2 P2 N5 . . 109.23(18) ?
O2 P2 N4 . . 108.57(16) ?
N5 P2 N4 . . 115.8(2) ?
O2 P2 N6 . . 116.48(18) ?
N5 P2 N6 . . 103.4(2) ?
N4 P2 N6 . . 103.50(19) ?
O3 P3 N8 . . 119.56(17) ?
O3 P3 N7 . . 107.83(16) ?
N8 P3 N7 . . 104.8(2) ?
O3 P3 N9 . . 107.68(18) ?
N8 P3 N9 . . 102.9(2) ?
N7 P3 N9 . . 114.4(2) ?
O4 P4 N12 . . 110.9(2) ?
O4 P4 N11 . . 110.04(18) ?
N12 P4 N11 . . 108.2(3) ?
O4 P4 N10 . . 108.7(2) ?
N12 P4 N10 . . 109.3(3) ?
N11 P4 N10 . . 109.8(2) ?
P1 O1 Dy1 . . 168.03(16) ?
P2 O2 Dy1 . . 161.71(17) ?
P3 O3 Dy1 . . 158.35(16) ?
P4 O4 Dy1 . . 167.58(17) ?
N13 O5 Dy1 . . 95.7(2) ?
N13 O6 Dy1 . . 95.9(2) ?
N14 O7 Dy1 . . 95.4(2) ?
N14 O8 Dy1 . . 96.1(2) ?
C1 N1 C2 . . 114.0(3) ?
C1 N1 P1 . . 123.0(3) ?
C2 N1 P1 . . 120.1(3) ?
C3 N2 C4 . . 114.3(4) ?
C3 N2 P1 . . 125.4(3) ?
C4 N2 P1 . . 119.4(3) ?
C6 N3 C5 . . 115.3(5) ?
C6 N3 P1 . . 119.9(4) ?
C5 N3 P1 . . 123.9(4) ?
C8 N4 C7 . . 113.7(4) ?
C8 N4 P2 . . 120.2(3) ?
C7 N4 P2 . . 120.9(3) ?
C9 N5 C10 . . 115.2(4) ?
C9 N5 P2 . . 120.8(3) ?
C10 N5 P2 . . 120.2(4) ?
C11 N6 C12 . . 110.6(5) ?
C11 N6 P2 . . 123.9(4) ?
C12 N6 P2 . . 120.7(4) ?
C14 N7 C13 . . 113.6(4) ?
C14 N7 P3 . . 121.8(3) ?
C13 N7 P3 . . 122.1(3) ?
C16 N8 C15 . . 113.5(5) ?
C16 N8 P3 . . 120.5(4) ?
C15 N8 P3 . . 123.0(4) ?
C17 N9 C18 . . 112.2(4) ?
C17 N9 P3 . . 118.6(3) ?
C18 N9 P3 . . 120.8(3) ?
C19 N10 C20 . . 113.5(5) ?
C19 N10 P4 . . 121.8(4) ?
C20 N10 P4 . . 123.9(5) ?
C22 N11 C21 . . 114.8(4) ?
C22 N11 P4 . . 124.7(4) ?
C21 N11 P4 . . 118.6(3) ?
C23 N12 C24 . . 117.3(6) ?
C23 N12 P4 . . 120.1(4) ?
C24 N12 P4 . . 122.6(6) ?
O9 N13 O6 . . 121.7(3) ?
O9 N13 O5 . . 122.1(3) ?
O6 N13 O5 . . 116.2(3) ?
O9 N13 Dy1 . . 172.4(3) ?
O6 N13 Dy1 . . 58.33(17) ?
O5 N13 Dy1 . . 58.51(17) ?
O10 N14 O7 . . 122.3(3) ?
O10 N14 O8 . . 121.2(4) ?
O7 N14 O8 . . 116.5(3) ?
O10 N14 Dy1 . . 175.6(3) ?
O7 N14 Dy1 . . 58.76(18) ?
O8 N14 Dy1 . . 57.99(18) ?
N1 C1 H1A . . 109.5 ?
N1 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
N1 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
N1 C2 H2A . . 109.5 ?
N1 C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
N1 C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
N2 C3 H3A . . 109.5 ?
N2 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
N2 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
N2 C4 H4A . . 109.5 ?
N2 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
N2 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
N3 C5 H5A . . 109.5 ?
N3 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
N3 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
N3 C6 H6A . . 109.5 ?
N3 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
N3 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
N4 C7 H7A . . 109.5 ?
N4 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
N4 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
N4 C8 H8A . . 109.5 ?
N4 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
N4 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
N5 C9 H9A . . 109.5 ?
N5 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
N5 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
N5 C10 H10A . . 109.5 ?
N5 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
N5 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
N6 C11 H11A . . 109.5 ?
N6 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
N6 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
N6 C12 H12A . . 109.5 ?
N6 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
N6 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N7 C13 H13A . . 109.5 ?
N7 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
N7 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
N7 C14 H14A . . 109.5 ?
N7 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
N7 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
N8 C15 H15A . . 109.5 ?
N8 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
N8 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
N8 C16 H16A . . 109.5 ?
N8 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
N8 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
N9 C17 H17A . . 109.5 ?
N9 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
N9 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
N9 C18 H18A . . 109.5 ?
N9 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
N9 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
N10 C19 H19A . . 109.5 ?
N10 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
N10 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
N10 C20 H20A . . 109.5 ?
N10 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
N10 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
N11 C21 H21A . . 109.5 ?
N11 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
N11 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
N11 C22 H22A . . 109.5 ?
N11 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
N11 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
N12 C23 H23A . . 109.5 ?
N12 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
N12 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
N12 C24 H24A . . 109.5 ?
N12 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N12 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
S3 Mo1 S4 . . 110.18(4) ?
S3 Mo1 S2 . . 108.06(4) ?
S4 Mo1 S2 . . 108.64(4) ?
S3 Mo1 S1 . . 107.96(4) ?
S4 Mo1 S1 . . 108.45(4) ?
S2 Mo1 S1 . . 113.54(4) ?
S3 Mo1 Ag1 . . 125.37(4) ?
S4 Mo1 Ag1 . . 124.43(4) ?
S2 Mo1 Ag1 . . 57.79(3) ?
S1 Mo1 Ag1 . . 55.76(3) ?
S3 Mo1 Ag1 . 4_565 58.82(4) ?
S4 Mo1 Ag1 . 4_565 58.59(4) ?
S2 Mo1 Ag1 . 4_565 148.20(3) ?
S1 Mo1 Ag1 . 4_565 98.27(3) ?
Ag1 Mo1 Ag1 . 4_565 154.014(13) ?
S1 Ag1 S2 . . 94.19(3) ?
S1 Ag1 S4 . 4_566 120.83(4) ?
S2 Ag1 S4 . 4_566 119.97(4) ?
S1 Ag1 S3 . 4_566 120.26(4) ?
S2 Ag1 S3 . 4_566 117.20(4) ?
S4 Ag1 S3 4_566 4_566 87.05(4) ?
S1 Ag1 Mo1 . . 47.40(3) ?
S2 Ag1 Mo1 . . 46.79(2) ?
S4 Ag1 Mo1 4_566 . 137.28(3) ?
S3 Ag1 Mo1 4_566 . 135.60(3) ?
S1 Ag1 Mo1 . 4_566 150.66(3) ?
S2 Ag1 Mo1 . 4_566 115.12(2) ?
S4 Ag1 Mo1 4_566 4_566 45.98(3) ?
S3 Ag1 Mo1 4_566 4_566 45.74(3) ?
Mo1 Ag1 Mo1 . 4_566 161.911(13) ?
Mo1 S1 Ag1 . . 76.84(3) ?
Mo1 S2 Ag1 . . 75.42(3) ?
Mo1 S3 Ag1 . 4_565 75.44(3) ?
Mo1 S4 Ag1 . 4_565 75.43(3) ?
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
Dy1 O4 . 2.246(3) ?
Dy1 O1 . 2.253(2) ?
Dy1 O3 . 2.258(2) ?
Dy1 O2 . 2.273(2) ?
Dy1 O8 . 2.459(3) ?
Dy1 O7 . 2.476(3) ?
Dy1 O6 . 2.483(3) ?
Dy1 O5 . 2.487(3) ?
Dy1 N14 . 2.883(3) ?
Dy1 N13 . 2.902(3) ?
P1 O1 . 1.495(3) ?
P1 N3 . 1.619(4) ?
P1 N1 . 1.629(3) ?
P1 N2 . 1.639(4) ?
P2 O2 . 1.484(3) ?
P2 N5 . 1.622(4) ?
P2 N4 . 1.642(3) ?
P2 N6 . 1.657(4) ?
P3 O3 . 1.498(3) ?
P3 N8 . 1.618(4) ?
P3 N7 . 1.625(3) ?
P3 N9 . 1.644(4) ?
P4 O4 . 1.476(3) ?
P4 N12 . 1.603(5) ?
P4 N11 . 1.616(4) ?
P4 N10 . 1.656(5) ?
O5 N13 . 1.268(4) ?
O6 N13 . 1.266(4) ?
O7 N14 . 1.264(4) ?
O8 N14 . 1.268(4) ?
O9 N13 . 1.223(4) ?
O10 N14 . 1.223(4) ?
N1 C1 . 1.466(5) ?
N1 C2 . 1.472(5) ?
N2 C3 . 1.457(5) ?
N2 C4 . 1.472(6) ?
N3 C6 . 1.433(7) ?
N3 C5 . 1.471(7) ?
N4 C8 . 1.454(6) ?
N4 C7 . 1.469(5) ?
N5 C9 . 1.451(6) ?
N5 C10 . 1.488(6) ?
N6 C11 . 1.437(7) ?
N6 C12 . 1.469(7) ?
N7 C14 . 1.446(5) ?
N7 C13 . 1.463(5) ?
N8 C16 . 1.463(7) ?
N8 C15 . 1.474(6) ?
N9 C17 . 1.461(6) ?
N9 C18 . 1.467(6) ?
N10 C19 . 1.437(8) ?
N10 C20 . 1.465(7) ?
N11 C22 . 1.466(6) ?
N11 C21 . 1.475(6) ?
N12 C23 . 1.427(8) ?
N12 C24 . 1.474(8) ?
C1 H1A . 0.9600 ?
C1 H1B . 0.9600 ?
C1 H1C . 0.9600 ?
C2 H2A . 0.9600 ?
C2 H2B . 0.9600 ?
C2 H2C . 0.9600 ?
C3 H3A . 0.9600 ?
C3 H3B . 0.9600 ?
C3 H3C . 0.9600 ?
C4 H4A . 0.9600 ?
C4 H4B . 0.9600 ?
C4 H4C . 0.9600 ?
C5 H5A . 0.9600 ?
C5 H5B . 0.9600 ?
C5 H5C . 0.9600 ?
C6 H6A . 0.9600 ?
C6 H6B . 0.9600 ?
C6 H6C . 0.9600 ?
C7 H7A . 0.9600 ?
C7 H7B . 0.9600 ?
C7 H7C . 0.9600 ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 H9A . 0.9600 ?
C9 H9B . 0.9600 ?
C9 H9C . 0.9600 ?
C10 H10A . 0.9600 ?
C10 H10B . 0.9600 ?
C10 H10C . 0.9600 ?
C11 H11A . 0.9600 ?
C11 H11B . 0.9600 ?
C11 H11C . 0.9600 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
C17 H17A . 0.9600 ?
C17 H17B . 0.9600 ?
C17 H17C . 0.9600 ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
C20 H20A . 0.9600 ?
C20 H20B . 0.9600 ?
C20 H20C . 0.9600 ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
Mo1 S3 . 2.1912(12) ?
Mo1 S4 . 2.2003(12) ?
Mo1 S2 . 2.2027(10) ?
Mo1 S1 . 2.2110(11) ?
Mo1 Ag1 . 2.9247(6) ?
Mo1 Ag1 4_565 2.9614(7) ?
Ag1 S1 . 2.4830(11) ?
Ag1 S2 . 2.5569(11) ?
Ag1 S4 4_566 2.6116(13) ?
Ag1 S3 4_566 2.6178(13) ?
Ag1 Mo1 4_566 2.9614(7) ?
S3 Ag1 4_565 2.6178(13) ?
S4 Ag1 4_565 2.6116(13) ?
