Dichloro{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[1-(2-pyridyl)ethylidene]aniline-κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile solvate
Hsueh, Mao-Lin; Su, Sheng-Yuan; Lin, Chu-Chieh; Acta Crystallographica Section E 62 (2006) m1784–m1786; doi:10.1107/S1600536806024950

data_2209841
_publ_section_title
;Dichloro{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[1-(2-pyridyl)ethylidene]aniline-\k^2^<i>N</i>,<i>N</i>'}palladium(II)
 acetonitrile solvate
;
_journal_coeditor_code           GK2017
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1784
_journal_page_last               m1786
_journal_paper_doi               10.1107/S1600536806024950
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pd Cl2 (C16 H18 N2)], C2 H3 N'
_chemical_formula_moiety         'C16 H18 Cl2 N2 Pd, C2 H3 N'
_chemical_formula_sum            'C18 H21 Cl2 N3 Pd'
_chemical_formula_weight         456.68
_chemical_name_systematic
;
Dichloro{(E)-2,4,6-trimethyl-N-[1-(2-pyridyl)ethylidene]aniline-
\k^2^N,N'}palladium(II) acetonitrile solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 95.783(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1699(7)
_cell_length_b                   19.7209(17)
_cell_length_c                   12.2323(11)
_cell_measurement_reflns_used    4597
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.950
_cell_measurement_theta_min      2.655
_cell_volume                     1960.8(3)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10980
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.97
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.223
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.739
_refine_diff_density_min         -0.417
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3854
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0388
_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^)+(0.065P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1102
_reflns_number_gt                2980
_reflns_number_total             3854
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gk2017.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209841
_cod_database_fobs_code          2209841