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_7025706
_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         'C25 H32 Cl N3 O Pd S2 '
_chemical_formula_sum            'C25 H32 Cl N3 O Pd S2'
_chemical_formula_weight         596.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.4037(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.7161(6)
_cell_length_b                   14.7195(5)
_cell_length_c                   13.6311(6)
_cell_measurement_reflns_used    15780
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     2550.63(19)
_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_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  0.049
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23767
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_exptl_absorpt_coefficient_mu    1.020
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5793
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0302P)^2^+1.4779P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                4834
_reflns_number_total             5793
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c002908d.txt
_cod_data_source_block           azulenepdmune3
_cod_original_cell_volume        2550.64(19)
_cod_original_formula_sum        'C25 H32 Cl N3 O Pd S2 '
_cod_database_code               7025706