2-(Dimethylamino)ethaneselenolates of palladium(II): synthesis, structure, spectroscopy and transformation into palladium selenide
Dey, Sandip; Jain, Vimal K.; Chaudhury, Satyajeet; Knoedler, Axel; Lissner, Falk; Kaim, Wolfgang; Journal of the Chemical Society, Dalton Transactions  (2001) 723–; doi:10.1039/b008310k

data_7702483
_publ_section_title
;
 2-(Dimethylamino)ethaneselenolates of palladium(II): synthesis,
 structure, spectroscopy and transformation into palladium selenide
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              723
_journal_paper_doi               10.1039/b008310k
_journal_year                    2001
_chemical_formula_sum            'C12 H30 Cl3 N3 Pd3 Se3'
_chemical_formula_weight         878.82
_chemical_name_common
'Tris[chloro 2(N,N-dimtehylamino)ethylselenato palladium(II)]'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 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                 95.899(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7805(5)
_cell_length_b                   13.1187(9)
_cell_length_c                   16.6749(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2345.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22492
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    7.274
_exptl_crystal_density_diffrn    2.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1656
_refine_diff_density_max         1.216
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       0.00211(15)
_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   0.884
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         5593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0531P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                3983
_reflns_number_total             5593
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b008310k.txt
_cod_data_source_block           indien
_cod_database_code               7702483