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_7015192
_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_moiety         'C18 H12 N2 O PD'
_chemical_formula_sum            'C18 H12 N2 O Pd'
_chemical_formula_weight         378.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.7320(3)
_cell_length_b                   16.2417(7)
_cell_length_c                   22.1839(10)
_cell_measurement_temperature    100(2)
_cell_volume                     2785.9(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 0.959
_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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0131
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            29838
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         28.21
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    1.334
_exptl_absorpt_correction_T_max  0.8563
_exptl_absorpt_correction_T_min  0.8050
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.067
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3287
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0361
_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^)+(0.0431P)^2^+7.0956P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                3142
_reflns_number_total             3287
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01337d.txt
_cod_data_source_block           complexII9
_cod_original_sg_symbol_H-M      Pcab
_cod_database_code               7015192