<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)] [silver(I)-di-μ~2~-sulfido-tungsten(VI)-di-μ~2~-sulfido]]
Tang, Guodong; Zhang, Jinfang; Zhang, Chi; Acta Crystallographica Section E 64 (2008) m478–; doi:10.1107/S1600536808001256

data_2217814
_publ_section_title
;<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-\k<i>O</i>)bis(nitrato-\k^2^<i>O</i>,<i>O</i>')neodymium(III)]
 [silver(I)-di-\m~2~-sulfido-tungsten(VI)-di-\m~2~-sulfido]]
;
_journal_coeditor_code           PV2063
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m478
_journal_paper_doi               10.1107/S1600536808001256
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Nd (N O3)2 (C6 H18 N3 O P)4] [Ag W S4]'
_chemical_formula_moiety         'C24 H72 N14 Nd O10 P4 +, Ag S4 W -'
_chemical_formula_sum            'C24 H72 Ag N14 Nd O10 P4 S4 W'
_chemical_formula_weight         1405.07
_chemical_name_systematic
;
<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-\k<i>O</i>)bis(nitrato-
\k^2^<i>O</i>,<i>O</i>')neodymium(III)]
[silver(I)-di-\m~2~-sulfido-tungsten(VI)-di-\m~2~-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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.689(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.8250(19)
_cell_length_b                   29.873(4)
_cell_length_c                   11.4345(13)
_cell_measurement_reflns_used    19261
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.0132
_cell_volume                     5405.2(12)
_computing_cell_refinement       'CrystalClear (Rigaku Corporation, 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corporation, 2000)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            46733
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.756
_exptl_absorpt_correction_T_max  0.3287
_exptl_absorpt_correction_T_min  0.1318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange--red
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2796.0
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.415
_refine_diff_density_min         -1.365
_refine_ls_extinction_coef       0.00025(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         9877
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0498
_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/[\s^2^(Fo^2^)+(0.0328P)^2^+29.5132P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1081
_reflns_number_gt                9086
_reflns_number_total             9877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            pv2063.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2217814
_cod_database_fobs_code          2217814