Synthesis of palladium(ii) complexes containing a new α-d-xylofuranose-modified diphosphine and their application as catalyst precursors in the co- and terpolymerization of CO‒ethene and propene
Muñoz-Moreno, Bianca K.; Claver, Carmen; Ruiz, Aurora; Bianchini, Claudio; Meli, Andrea; Oberhauser, Werner; Dalton Transactions  (2008) 2741–2750; doi:10.1039/b719748a

data_7003798
_publ_section_title
;
 Synthesis of palladium(ii) complexes containing a new
 \a-d-xylofuranose-modified diphosphine and their application as
 catalyst precursors in the co- and terpolymerization of CO--ethene and
 propene
;
_journal_issue                   20
_journal_name_full               'Dalton Transactions'
_journal_page_first              2741
_journal_page_last               2750
_journal_paper_doi               10.1039/b719748a
_journal_year                    2008
_chemical_absolute_configuration ad
_chemical_formula_sum            'C36 H40 Cl2 O7 P2 Pd'
_chemical_formula_weight         823.92
_chemical_name_systematic
;
?
;
_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
_audit_creation_date             2007-04-14T17:26:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   11.395(5)
_cell_length_b                   17.986(5)
_cell_length_c                   20.001(5)
_cell_measurement_temperature    170(2)
_cell_volume                     4099(2)
_computing_cell_refinement       'Oxford Diffraction software'
_computing_data_collection       'Oxford Diffraction software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97, WinGX v1.70.01'(Farrugia, 1997)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1303
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            59870
_diffrn_reflns_theta_full        64.83
_diffrn_reflns_theta_max         64.83
_diffrn_reflns_theta_min         4.42
_exptl_absorpt_coefficient_mu    5.936
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.08
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.016(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         6800
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0954
_reflns_number_gt                5206
_reflns_number_total             6800
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719748a.txt
_cod_data_source_block           xylophos
_cod_database_code               7003798