Palladium(II) saccharinate (sac) and thiosaccharinate (tsac) complexes with 2-aminopyridine (2-ampy), 2-acetylaminopyridine (2-aampy) and 2-acetylaminopyrimidine (2-aampym) co-ligands: X-ray crystal structures of trans-[Pd(sac)2(ampy)2] and solvatomorphs trans-[Pd(sac)2(2-aampy)2].S (S = CHCl3, thf)
Subhi A. Al-Jibori; Qusay K.A. Al-Jibori; Harry Schmidt; Kurt Merzweiler; Christoph Wagner; Graeme Hogarth; Inorganica Chimica Acta 402 (2013) 69–74; doi:

data_1517151
_publ_section_title
;
 Palladium(II) saccharinate (sac) and thiosaccharinate (tsac) complexes
 with 2-aminopyridine (2-ampy), 2-acetylaminopyridine (2-aampy) and
 2-acetylaminopyrimidine (2-aampym) co-ligands: X-ray crystal structures
 of trans-[Pd(sac)2(ampy)2] and solvatomorphs trans-[Pd(sac)2(2-aampy)2].S
 (S = CHCl3, thf)
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              69
_journal_page_last               74
_journal_volume                  402
_journal_year                    2013
_chemical_formula_sum            'C32 H32 N6 O9 Pd S2'
_chemical_formula_weight         815.16
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 110.826(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2764(8)
_cell_length_b                   24.9568(18)
_cell_length_c                   12.8667(8)
_cell_measurement_temperature    200(2)
_cell_volume                     3384.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0492
_diffrn_reflns_av_sigmaI/netI    0.1261
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15132
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    0.735
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1664
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.698
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         6436
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.708
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0325
_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^)+(0.0123P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0556
_reflns_number_gt                3659
_reflns_number_total             6436
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-402-69-74-3.cif
_cod_data_source_block           z:\i2t0545
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1517151