<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cerium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]
Wei, Hongyang; Zhang, Jinfang; Zhang, Chi; Acta Crystallographica Section E 66 (2010) m1657–m1658; doi:10.1107/S1600536810044260

data_2228627
_publ_section_title
;
 <i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-\k<i>O</i>)bis(nitrato-\k^2^<i>O</i>,<i>O</i>')cerium(III)]
 [silver(I)-di-\m-sulfido-tungstate(VI)-di-\m-sulfido]]
;
_journal_coeditor_code           ZQ2066
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1657
_journal_page_last               m1658
_journal_paper_doi               10.1107/S1600536810044260
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ce (N O3)2 (C6 H18 N3 O P)4] [Ag W S4]'
_chemical_formula_moiety         '(C24 H72 Ce N14 O10 P4 +), Ag1 S4 W1 -'
_chemical_formula_sum            'C24 H72 Ag Ce N14 O10 P4 S4 W'
_chemical_formula_weight         1400.92
_chemical_name_systematic
;
<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-\k<i>O</i>)bis(nitrato-\
\k^2^<i>O</i>,<i>O</i>')cerium(III)]
[silver(I)-di-\m-sulfido-tungstate(VI)-di-\m-sulfido]]
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 90.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.639(3)
_cell_length_b                   30.002(6)
_cell_length_c                   22.532(4)
_cell_measurement_reflns_used    45199
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.0311
_cell_measurement_theta_min      2.8323
_cell_volume                     10572(3)
_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  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       \w
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            49779
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.83
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.719
_exptl_absorpt_correction_T_max  0.475
_exptl_absorpt_correction_T_min  0.390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2007)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5576
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.741
_refine_diff_density_min         -0.961
_refine_ls_abs_structure_details 'Flack (1983), 14534 Friedel pairs'
_refine_ls_abs_structure_Flack   0.286(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2221
_refine_ls_number_reflns         34142
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0224P)^2^+4.7571P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0680
_reflns_number_gt                32497
_reflns_number_total             34142
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zq2066.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C24 H72 Ag1 Ce1 N14 O10 P4 S4 W1'
_cod_database_code               2228627
_cod_database_fobs_code          2228627