Novel palladium complexes employing mixed phosphine phosphonates and phosphine phosphinates as anionic chelating [P,O] ligands.
Reisinger, Corinna M.; Nowack, Rüdiger J; Volkmer, Dirk; Rieger, Bernhard; Dalton transactions (Cambridge, England : 2003)  (2007) 272–278; doi:10.1039/b612694d

data_7004885
_publ_section_title
;
 Novel palladium complexes employing mixed phosphine phosphonates and
 phosphine phosphinates as anionic chelating [P,O] ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              272
_journal_page_last               278
_journal_paper_doi               10.1039/b612694d
_journal_year                    2007
_chemical_compound_source        Synthesis
_chemical_formula_moiety         C29H30O4P2Pd
_chemical_formula_sum            'C101 H106 O12 P6 Pd3'
_chemical_formula_weight         2016.88
_chemical_name_common            (Phosphinephosphonate)Pd(DCP-OMe)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 116.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.955(3)
_cell_length_b                   33.696(7)
_cell_length_c                   18.155(4)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      2.25
_cell_volume                     9303(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            72578
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         2.25
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4144
_exptl_crystal_recrystallization_method 'recrystallised from toluene'
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.23
_refine_diff_density_max         2.593
_refine_diff_density_min         -1.571
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1010
_refine_ls_number_reflns         17313
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1329
_refine_ls_R_factor_gt           0.0909
_refine_ls_shift/su_max          1.986
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1719P)^2^+3.4379P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2618
_refine_ls_wR_factor_ref         0.2887
_reflns_number_gt                10260
_reflns_number_total             17313
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b612694d.txt
_cod_data_source_block           rei568
_cod_original_cell_volume        9303(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7004885