Novel saccharinate-bridged palladium complexes for efficient C-O bond activation displaying promising luminescence properties.
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Kapdi, Anant R.; Naik, Minal; Pednekar, Suhas; Pérez, José; García, Luis; Pérez, Eduardo; Serrano, J. Luis; Dalton transactions (Cambridge, England : 2003) 41 (2012) 3832–3842; doi:10.1039/c2dt12187e

data_7018593
_publ_section_title
;
 Novel saccharinate-bridged palladium complexes for efficient C-O bond
 activation displaying promising luminescence properties.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3832
_journal_page_last               3842
_journal_paper_doi               10.1039/c2dt12187e
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C23 H17 N3 O3 Pd S'
_chemical_formula_sum            'C23 H17 N3 O3 Pd S'
_chemical_formula_weight         521.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 97.634(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.576(3)
_cell_length_b                   8.0645(8)
_cell_length_c                   16.6896(17)
_cell_measurement_reflns_used    4885
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.51
_cell_measurement_theta_min      1.34
_cell_volume                     4078.8(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.944
_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  0.1257
_diffrn_reflns_av_sigmaI/netI    0.0696
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23618
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    1.044
_exptl_absorpt_correction_T_max  0.9496
_exptl_absorpt_correction_T_min  0.8105
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.254
_refine_diff_density_min         -2.837
_refine_diff_density_rms         0.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.370
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         4885
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.370
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0745
_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^)+(0.0407P)^2^+62.7436P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1704
_refine_ls_wR_factor_ref         0.1836
_reflns_number_gt                4650
_reflns_number_total             4885
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12187e.txt
_cod_data_source_block           compound_I2
_cod_original_cell_volume        4078.9(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7018593