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_7702482
_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            'C22 H25 Cl N P Pd Se'
_chemical_formula_weight         555.21
_chemical_name_common
'Triphenylphosphine chloro 2(N,N-dimethylamino)ethylselenolato palladium(II)'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 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                 95.77(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5268(19)
_cell_length_b                   19.827(4)
_cell_length_c                   11.661(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2191.5(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.935
_diffrn_measured_fraction_theta_max 0.935
_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  0.0861
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7291
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.710
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1104
_refine_diff_density_max         1.771
_refine_diff_density_min         -1.864
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       0.0019(6)
_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   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         5997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0478
_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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1354
_refine_ls_wR_factor_ref         0.1469
_reflns_number_gt                5050
_reflns_number_total             5997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b008310k.txt
_cod_data_source_block           jain100
_cod_original_cell_volume        2191.4(8)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7702482