Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide
Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa; Inorganica Chimica Acta 398 (2013) 46–53; doi:10.1016/j.ica.2012.12.010

data_1513196
_publ_section_title
;
 Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes
 with heterocyclic N-acetamide ligands: Synthesis and molecular structures
 of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate),
 [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH =
 N-(2-thiazolyl)acetamide
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              46
_journal_page_last               53
_journal_paper_doi               10.1016/j.ica.2012.12.010
_journal_volume                  398
_journal_year                    2013
_chemical_formula_sum            'C41 H32 Cl Fe N O3 P2 Pd S'
_chemical_formula_weight         878.38
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4176(14)
_cell_length_b                   16.197(2)
_cell_length_c                   21.507(3)
_cell_measurement_temperature    123(2)
_cell_volume                     3629.0(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_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  0.0637
_diffrn_reflns_av_sigmaI/netI    0.0675
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            30673
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  0.8737
_exptl_absorpt_correction_T_min  0.7531
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.954
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.100
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.515(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8689
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0433P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0897
_reflns_number_gt                7568
_reflns_number_total             8689
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ICA-2013-398-46-53-1.cif
_cod_data_source_block           str0664
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               1513196