Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)
Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen; Inorganic Chemistry 44 (2005) 4992–5000; doi:10.1021/ic050261f

data_4309198
_publ_section_title
;
Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen
Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S,
Se) and [PPh4]2[Pd2(\m-Se2N2S)X4] (X = Cl, Br)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4992
_journal_page_last               5000
_journal_paper_doi               10.1021/ic050261f
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Cl2 N2 S Se Te'
_chemical_formula_weight         337.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.3524(17)
_cell_length_b                   7.9527(16)
_cell_length_c                   19.853(4)
_cell_measurement_temperature    150(2)
_cell_volume                     1318.7(5)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD Server Software (Nonius, 1997)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material  'WINGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Nonius Kappaccd'
_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  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0179
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13311
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    11.039
_exptl_absorpt_correction_T_max  0.4048
_exptl_absorpt_correction_T_min  0.2162
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.404
_refine_diff_density_min         -2.313
_refine_diff_density_rms         0.277
_refine_ls_extinction_coef       0.0018(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     65
_refine_ls_number_reflns         1150
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0597P)^2^+31.6007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1260
_reflns_number_gt                1131
_reflns_number_total             1150
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050261fsi20050219_081655_2.cif
_cod_data_source_block           cmpd2
_cod_database_code               4309198