Imino-quinolyl palladium(II) and platinum(II) complexes: Synthesis, characterization, molecular structures and cytotoxic effect
William M. Motswainyana; Martin O. Onani; Abram M. Madiehe; Morounke Saibu; Jeroen Jacobs; Luc van Meervelt; Inorganica Chimica Acta 400 (2013) 197–202; doi:

data_1516947
_publ_section_title
;
 Imino-quinolyl palladium(II) and platinum(II) complexes: Synthesis,
 characterization, molecular structures and cytotoxic effect
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              197
_journal_page_last               202
_journal_volume                  400
_journal_year                    2013
_chemical_formula_moiety         'C22 H24 Cl2 N2 Pd'
_chemical_formula_sum            'C22 H24 Cl2 N2 Pd'
_chemical_formula_weight         493.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 106.356(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4731(6)
_cell_length_b                   13.0007(8)
_cell_length_c                   14.8263(8)
_cell_measurement_reflns_used    9006
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      26.3148
_cell_measurement_theta_min      2.8579
_cell_volume                     2122.0(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector_area_resol_mean 15.9631
_diffrn_measured_fraction_theta_full 0.9982
_diffrn_measured_fraction_theta_max 0.9824
_diffrn_measurement_details
;
  1 omega  -18.00   24.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  -99.0000  -60.0000 42

  2 omega  -56.00   49.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513    0.0000  -90.0000 105

  3 omega  -38.00   55.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513   38.0000  -30.0000 93

  4 omega  -90.00    3.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  -38.0000 -120.0000 93

  5 omega  -94.00  -34.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  178.0000   30.0000 60

  6 omega  -82.00    8.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  -38.0000  150.0000 90

  7 omega  -73.00   -5.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  -57.0000   30.0000 68

  8 omega  -32.00    4.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  -57.0000   60.0000 36

  9 omega   24.00   79.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8701 -130.0000  -63.0000 55

 10 omega    1.00   56.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -       20.0000 -124.0000   86.0000 55
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0584478000
_diffrn_orient_matrix_UB_12      0.0191436000
_diffrn_orient_matrix_UB_13      -0.0239214000
_diffrn_orient_matrix_UB_21      0.0254011000
_diffrn_orient_matrix_UB_22      0.0491823000
_diffrn_orient_matrix_UB_23      -0.0028705000
_diffrn_orient_matrix_UB_31      0.0096708000
_diffrn_orient_matrix_UB_32      -0.0137322000
_diffrn_orient_matrix_UB_33      -0.0436426000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.0548
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27812
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.86
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.135
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.806
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         4344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0434
_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^)+(0.0205P)^2^+3.4708P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0891
_reflns_number_gt                3666
_reflns_number_total             4344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-400-197-202-2.cif
_cod_data_source_block           w163_0.80
_cod_database_code               1516947