Palladium(II) and platinum(II) complexes bearing a kappa(3)SCS pincer ligand with an azulene unit.
Kuwabara, Junpei; Munezawa, Goro; Okamoto, Ken; Kanbara, Takaki; Dalton transactions (Cambridge, England : 2003) 39 (2010) 6255–6261; doi:10.1039/c002908d

data_7025705
_publ_section_title
;
 Palladium(II) and platinum(II) complexes bearing a kappa(3)SCS pincer
 ligand with an azulene unit.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6255
_journal_page_last               6261
_journal_paper_doi               10.1039/c002908d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C23 H28 Cl2 N2 S2 '
_chemical_formula_sum            'C23 H28 Cl2 N2 S2'
_chemical_formula_weight         467.51
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.1348(6)
_cell_length_b                   16.0405(7)
_cell_length_c                   8.8982(3)
_cell_measurement_reflns_used    12287
_cell_measurement_temperature    88.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.4
_cell_volume                     2302.95(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      88.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.092
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            20625
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_exptl_absorpt_coefficient_mu    0.476
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             984.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     144
_refine_ls_number_reflns         2713
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0661P)^2^+2.0386P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1578
_reflns_number_gt                1856
_reflns_number_total             2713
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c002908d.txt
_cod_data_source_block           Azligand2
_cod_original_formula_sum        'C23 H28 Cl2 N2 S2 '
_cod_database_code               7025705