[TeSe~3~]^2-^ and [TeSe~2~]^2^ as synthons
Dibrov, Sergey M.; Ibers, James A.; Chemical Communications (Cambridge, United Kingdom)  (2003) 2158–2159; doi:10.1039/b306415h

data_7113848
_publ_section_title
;
 [TeSe~3~]^2-^ and [TeSe~2~]^2^ as synthons
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   17
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2158
_journal_page_last               2159
_journal_paper_doi               10.1039/b306415h
_journal_year                    2003
_chemical_formula_sum            'C48 H40 Au2 P2 Se0.61 Te4.39'
_chemical_formula_weight         1681.00
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.928(4)
_cell_angle_beta                 95.396(4)
_cell_angle_gamma                98.466(4)
_cell_formula_units_Z            2
_cell_length_a                   10.591(3)
_cell_length_b                   11.161(3)
_cell_length_c                   21.245(5)
_cell_measurement_temperature    153(2)
_cell_volume                     2377.1(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19937
_diffrn_reflns_theta_full        23.29
_diffrn_reflns_theta_max         23.29
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    9.377
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1530.2
_refine_diff_density_max         7.069
_refine_diff_density_min         -5.714
_refine_diff_density_rms         0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.929
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         6844
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.929
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.157
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1783
_refine_ls_wR_factor_ref         0.1848
_reflns_number_gt                5836
_reflns_number_total             6844
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7103892
_cod_data_source_file            b306415h.txt
_cod_data_source_block           Te2Au2Te2Se
_cod_original_cell_volume        2377.1(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7113848