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_7018592
_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         'C36 H24 N4 O6 Pd2 S2, C H2 CL2'
_chemical_formula_sum            'C37 H26 Cl2 N4 O6 Pd2 S2'
_chemical_formula_weight         970.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                   15.1661(10)
_cell_length_b                   17.9439(12)
_cell_length_c                   26.0050(18)
_cell_measurement_reflns_used    8681
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.62
_cell_measurement_theta_min      1.92
_cell_volume                     7077.0(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.956
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            81257
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         28.62
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.340
_exptl_absorpt_correction_T_max  0.9360
_exptl_absorpt_correction_T_min  0.7570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3856
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.417
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8681
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.417
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0488
_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^)+(0.0000P)^2^+33.8885P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                8482
_reflns_number_total             8681
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12187e.txt
_cod_data_source_block           compound_I1
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7018592