#------------------------------------------------------------------------------
#$Date: 2016-11-16 07:44:49 +0100 (Wed 16 de Nov de 2016) $
#$Revision: 188511 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/87/1518750.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1518750
loop_
_publ_author_name
'Canseco-Melchor, Graciela'
'Garcia-Montalvo, Veronica'
'Toscano, Ruben A.'
'Cea-Olivares, Raymundo'
_publ_section_title
;
 A New Class of Structure for Selenium(II) Dithiocomplexes. The Trigonal
 Molecular Structure of Bis(diethyldithiophosphinato)selenium(II),
 [Se(S2PEt2)2].
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              100
_journal_page_last               102
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C8 H20 P2 S4 Se'
_chemical_formula_weight         385.4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.40(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.127(1)
_cell_length_b                   12.627(1)
_cell_length_c                   12.298(2)
_cell_volume                     1686.8(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.884
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             784
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2295
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_gt          0.0611
_cod_data_source_file            Acta-Chem-Scand-1999-53-100-102.cif
_cod_data_source_block           Se
_cod_depositor_comments
;
No atomic coordinates provided
;
_cod_original_cell_volume        1686.8(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1518750
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
? ? ? ? ? ?
