Dichlorido[1-(2,6-dimethylphenylimino)-1,2-diphenylpropan-2-ol-κ^2^<i>N</i>,<i>O</i>]palladium(II) methanol monosolvate
Liu, Feng-Shou; Huang, Ying-Tang; Shen, Dong-Sheng; Yao, Hua-Gang; Acta Crystallographica Section E 67 (2011) m1435–; doi:10.1107/S1600536811037986

data_2231966
_publ_section_title
;
 Dichlorido[1-(2,6-dimethylphenylimino)-1,2-diphenylpropan-2-ol-\k^2^<i>N</i>,<i>O</i>]palladium(II)
 methanol monosolvate
;
_journal_coeditor_code           KP2349
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1435
_journal_paper_doi               10.1107/S1600536811037986
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pd Cl2 (C23 H23 N O)], C H4 O'
_chemical_formula_moiety         'C23 H23 Cl2 N O Pd, C H4 O'
_chemical_formula_sum            'C24 H27 Cl2 N O2 Pd'
_chemical_formula_weight         538.79
_chemical_name_systematic
;
Dichlorido[1-(2,6-dimethylphenylimino)-1,2-diphenylpropan-2-ol-
\k^2^<i>N</i>,<i>O</i>]palladium(II) methanol monosolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 129.232(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.943(3)
_cell_length_b                   19.770(6)
_cell_length_c                   14.230(3)
_cell_measurement_reflns_used    4166
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.46
_cell_measurement_theta_min      2.32
_cell_volume                     2384.6(12)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEXII 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  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0225
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35358
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.420
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0424
_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^)+(0.0000P)^2^+10.0286P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.0822
_reflns_number_gt                3418
_reflns_number_total             4166
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2349.cif
_cod_data_source_block           I
_cod_original_cell_volume        2384.6(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231966
_cod_database_fobs_code          2231966