Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis; Dalton transactions (Cambridge, England : 2003) 40 (2011) 3537–3546; doi:10.1039/c0dt01337d

data_7015191
_publ_section_title
;
 Synthesis and luminescence properties of cyclopalladated complexes
 with S^N and O^N donor ligands.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3537
_journal_page_last               3546
_journal_paper_doi               10.1039/c0dt01337d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C35 H27 Cl3 N6 Pd2 S2'
_chemical_formula_weight         914.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 106.0290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8956(4)
_cell_length_b                   28.7252(12)
_cell_length_c                   12.3772(5)
_cell_measurement_temperature    100(2)
_cell_volume                     3381.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.941
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38970
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    1.461
_exptl_absorpt_correction_T_max  0.9046
_exptl_absorpt_correction_T_min  0.7998
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.763
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         7845
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0432
_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^)+(0.0347P)^2^+10.6297P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.0988
_reflns_number_gt                7459
_reflns_number_total             7845
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01337d.txt
_cod_data_source_block           complexII3
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7015191