Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[2-(2-pyridyl)phenyl-κ^2^<i>C</i>,<i>N</i>]palladium(II)}
Dinçer, Muharrem; Özdemir, Namık; Günay, M. Emin; Çetinkaya, Bekir; Acta Crystallographica Section E 64 (2008) m381–m381; doi:10.1107/S1600536808001736

data_2217524
_publ_section_title
Di-\m-acetato-\k^4^<i>O</i>:<i>O</i>'-bis{[2-(2-pyridyl)phenyl-\k^2^<i>C</i>,<i>N</i>]palladium(II)}
_journal_coeditor_code           HB2692
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m381
_journal_page_last               m381
_journal_paper_doi               10.1107/S1600536808001736
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Pd2 (C11 H8 N)2 (C2 H3 O2)2]'
_chemical_formula_moiety         'C26 H22 N2 O4 Pd2'
_chemical_formula_sum            'C26 H22 N2 O4 Pd2'
_chemical_formula_weight         639.26
_chemical_name_systematic
;
Di-\m-acetato-\k^4^O:O'-bis{[2-(2-pyridyl)phenyl-\k^2^C,N]palladium(II)}
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.451(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7160(3)
_cell_length_b                   19.1986(5)
_cell_length_c                   14.4990(4)
_cell_measurement_reflns_used    33146
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.27
_cell_measurement_theta_min      1.61
_cell_volume                     2355.06(12)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1357
_diffrn_reflns_av_sigmaI/netI    0.0848
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23605
_diffrn_reflns_theta_full        26.76
_diffrn_reflns_theta_max         26.76
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.563
_exptl_absorpt_correction_T_max  0.728
_exptl_absorpt_correction_T_min  0.355
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.774
_refine_diff_density_min         -0.370
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5011
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0320
_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^)+(0.0408P)^2^+0.5683P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0710
_reflns_number_gt                4375
_reflns_number_total             5011
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2692.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2217524
_cod_database_fobs_code          2217524