The Reaction of Carbon Dioxide with Palladium Allyl Bonds.
Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Hruszkewycz, Damian P.; Incarvito, Christopher D.; Schmeier, Timothy J.; Organometallics 29 (2010) 6369–6376; doi:10.1021/om1007456

data_4066974
_publ_section_title
;
 The Reaction of Carbon Dioxide with Palladium Allyl Bonds.
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6369
_journal_page_last               6376
_journal_paper_doi               10.1021/om1007456
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C26 H29 P Pd '
_chemical_formula_sum            'C26 H29 P Pd'
_chemical_formula_weight         478.89
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.6291(12)
_cell_angle_beta                 83.6782(13)
_cell_angle_gamma                70.4556(12)
_cell_formula_units_Z            2
_cell_length_a                   9.3455(4)
_cell_length_b                   9.9853(5)
_cell_length_c                   13.9430(7)
_cell_measurement_reflns_used    11514
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1170.16(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 6.85
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku SCXmini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12304
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.702
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             492.00
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     270
_refine_ls_number_reflns         5339
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0361P)^2^+0.4569P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0869
_reflns_number_gt                4433
_reflns_number_total             5339
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om1007456_si_002.cif
_cod_data_source_block           COMPOUND_3
_cod_original_cell_volume        1170.17(10)
_cod_original_formula_sum        'C26 H29 P Pd '
_cod_database_code               4066974