Chloro[2-(<i>N</i>,<i>N</i>-dimethylamino)ethanol-κ<i>N</i>][2-(<i>N</i>,<i>N</i>-dimethylamino)ethanolato-κ^2^<i>N</i>,<i>O</i>]palladium(II)
Hamid, Mazhar; Tahir, Asif Ali; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.; Acta Crystallographica Section E 63 (2007) m728–m730; doi:10.1107/S1600536807005016

data_2212694
_publ_section_title
Chloro[2-(<i>N</i>,<i>N</i>-dimethylamino)ethanol-\k<i>N</i>][2-(<i>N</i>,<i>N</i>-dimethylamino)ethanolato-\k^2^<i>N</i>,<i>O</i>]palladium(II)
_journal_coeditor_code           SJ2213
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m728
_journal_page_last               m730
_journal_paper_doi               10.1107/S1600536807005016
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pd (C4 H10 N O) Cl (C4 H11 N O)]'
_chemical_formula_moiety         'C8 H21 Cl N2 O2 Pd'
_chemical_formula_sum            'C8 H21 Cl N2 O2 Pd'
_chemical_formula_weight         319.12
_chemical_name_systematic
;
Chloro[2(N,N-dimethylamino)ethanol-\kN][2-(N,N-dimethylamino)ethanolato-
\k^2^N,O]palladium(II)
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.571(2)
_cell_length_b                   18.482(3)
_cell_length_c                   8.3885(12)
_cell_measurement_reflns_used    8173
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.56
_cell_volume                     2414.1(6)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       \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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            22210
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.739
_exptl_absorpt_correction_T_max  0.625
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS in SAINT-Plus; Bruker, 2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.703
_refine_diff_density_min         -0.651
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         2988
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0355
_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^)+(0.0369P)^2^+6.6811P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                2571
_reflns_number_total             2988
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2213.cif
_cod_data_source_block           I
_cod_database_code               2212694
_cod_database_fobs_code          2212694