[μ-1,3-Dioxo-1,3-bis(pyridin-2-yl)propane-2,2-diido-κ^2^<i>N</i>,<i>C</i>^2^:κ^2^<i>C</i>^2^,<i>N</i>']bis[(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')palladium(II)](<i>Pd</i>—<i>Pd</i>)
Maggini, Simona; White, Peter S.; Acta Crystallographica Section E 67 (2011) m749–m750; doi:10.1107/S1600536811017144

data_2230305
_publ_section_title
;
 [\m-1,3-Dioxo-1,3-bis(pyridin-2-yl)propane-2,2-diido-\k^2^<i>N</i>,<i>C</i>^2^:\k^2^<i>C</i>^2^,<i>N</i>']bis[(1,3-diphenylpropane-1,3-dionato-\k^2^<i>O</i>,<i>O</i>')palladium(II)](<i>Pd</i>---<i>Pd</i>)
;
_journal_coeditor_code           FF2010
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m749
_journal_page_last               m750
_journal_paper_doi               10.1107/S1600536811017144
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pd2 (C13 H8 N2 O2) (C15 H11 O2)2]'
_chemical_formula_moiety         'C43 H30 N2 O6 Pd2'
_chemical_formula_sum            'C43 H30 N2 O6 Pd2'
_chemical_formula_weight         883.49
_chemical_name_systematic
;
[\m-1,3-Dioxo-1,3-bis(pyridin-2-yl)propane-2,2-diido-
\k^2^<i>N</i>,<i>C</i>^2^:\k^2^<i>C</i>^2^,<i>N</i>']bis[(1,3-
diphenylpropane-1,3-dionato-
\k^2^<i>O</i>,<i>O</i>')palladium(II)](<i>Pd</i>---<i>Pd</i>)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 96.498(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.2535(5)
_cell_length_b                   10.6912(4)
_cell_length_c                   20.9236(7)
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.1951
_cell_measurement_theta_min      4.2533
_cell_volume                     3390.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21234
_diffrn_reflns_theta_full        67.7
_diffrn_reflns_theta_max         69.19
_diffrn_reflns_theta_min         3.41
_exptl_absorpt_coefficient_mu    9.021
_exptl_absorpt_correction_T_max  0.451
_exptl_absorpt_correction_T_min  0.258
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'[SADABS (Bruker, 2004); SORTAV (Blessing, 1995)]'
_exptl_crystal_colour            'clear pink'
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-like
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.813
_refine_diff_density_min         -0.514
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6139
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0409P)^2^+2.5899P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0746
_reflns_number_gt                5506
_reflns_number_total             6139
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ff2010.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2230305
_cod_database_fobs_code          2230305