<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')yttrium(III)] [silver(I)-di-μ-sulfido-molybdenum(VI)-di-μ-sulfido]]
Zhang, Jinfang; Acta Crystallographica Section E 67 (2011) m1206–m1207; doi:10.1107/S1600536811030996

data_2231665
_publ_section_title
;
 <i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-\k<i>O</i>)bis(nitrato-\k^2^<i>O</i>,<i>O</i>')yttrium(III)]
 [silver(I)-di-\m-sulfido-molybdenum(VI)-di-\m-sulfido]]
;
_journal_coeditor_code           PV2435
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1206
_journal_page_last               m1207
_journal_paper_doi               10.1107/S1600536811030996
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Y (N O3)2 (C6 H18 N3 O P)4] [Ag Mo S4]'
_chemical_formula_moiety         'C24 H72 N14 O10 P4 Y _+, Ag Mo S4 -'
_chemical_formula_sum            'C24 H72 Ag Mo N14 O10 P4 S4 Y'
_chemical_formula_weight         1261.84
_chemical_name_systematic
;
<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-\k<i>O</i>)bis(nitrato-
\k^2^<i>O</i>,<i>O</i>')yttrium(III)]
[silver(I)-di-\m-sulfido-molybdenum(VI)-di-\m-sulfido]]
yttrium(III)]
;
_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                 90.90(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.777(3)
_cell_length_b                   29.650(6)
_cell_length_c                   11.339(2)
_cell_measurement_reflns_used    22373
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.1357
_cell_measurement_theta_min      3.0119
_cell_volume                     5303.6(17)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_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 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            25568
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.017
_exptl_absorpt_correction_T_max  0.739
_exptl_absorpt_correction_T_min  0.622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2007)'
_exptl_crystal_colour            black-red
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2584
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.790
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         10435
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0447
_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/[\s^2^(Fo^2^)+(0.0325P)^2^+8.8309P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                8978
_reflns_number_total             10435
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2435.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231665
_cod_database_fobs_code          2231665