Redox-active multinuclear Pd(II) complexes with bis- and tris-mesoionic carbenes.
Maity, Ramananda; van der Meer, Margarethe; Sarkar, Biprajit; Dalton transactions (Cambridge, England : 2003) 44 (2015) 46–49; doi:10.1039/c4dt03239j

data_7032890
_publ_section_title
;
 Redox-active multinuclear Pd(II) complexes with bis- and tris-mesoionic
 carbenes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              46
_journal_page_last               49
_journal_paper_doi               10.1039/c4dt03239j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C37 H43 Cl3 I6 N12 Pd3'
_chemical_formula_weight         1842.78
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.049(3)
_cell_angle_beta                 80.289(3)
_cell_angle_gamma                71.545(4)
_cell_formula_units_Z            2
_cell_length_a                   9.6689(16)
_cell_length_b                   13.324(2)
_cell_length_c                   22.043(4)
_cell_measurement_reflns_used    7809
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      25.07
_cell_measurement_theta_min      0.94
_cell_volume                     2633.4(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart AXS'
_diffrn_measurement_method       'omega 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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28786
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         0.94
_exptl_absorpt_coefficient_mu    4.723
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5370
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.806
_refine_diff_density_min         -2.518
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         9326
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0708
_refine_ls_shift/su_max          0.058
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0303P)^2^+59.4378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1539
_refine_ls_wR_factor_ref         0.1598
_reflns_number_gt                7809
_reflns_number_total             9326
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c4dt03239j2.cif
_cod_data_source_block           sar473m
_cod_depositor_comments
'Adding full bibliography for 7032889--7032891.cif.'
_cod_original_cell_volume        2633.3(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7032890