Chelation assistance as a tool for the selective preparation of an imidazole-based mesoionic palladium carbene complex
Arturo Juzgado; M. Mercedes Lorenzo-Garcia; Myriam Barrejon; Ana M. Rodriguez; Julian Rodriguez-Lopez; Sonia Merino; Juan Tejeda; Chem.Commun. 50 (2014) 15313–; doi:10.1039/C4cc07732F

data_7116048
_publ_section_title
;
 Chelation assistance as a tool for the selective preparation of an
 imidazole-based mesoionic palladium carbene complex
;
_journal_name_full               Chem.Commun.
_journal_page_first              15313
_journal_paper_doi               10.1039/C4cc07732F
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C16 H16 Ag N3 O3 S'
_chemical_formula_sum            'C16 H16 Ag N3 O3 S'
_chemical_formula_weight         438.25
_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                 92.944(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.793(7)
_cell_length_b                   11.193(3)
_cell_length_c                   14.632(4)
_cell_measurement_reflns_used    589
_cell_measurement_temperature    230(2)
_cell_measurement_theta_max      15.709
_cell_measurement_theta_min      2.464
_cell_volume                     3400.9(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      230(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0950
_diffrn_reflns_av_sigmaI/netI    0.1052
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10249
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.327
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         2996
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.1039
_reflns_number_gt                1617
_reflns_number_total             2996
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc07732f2.cif
_cod_data_source_block           5
_cod_original_cell_volume        3400.8(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7116048