Pd(O2CCF2CF3-O)2(dppf) and PdAg(μ-O2CCF2CF3)2(O2CCF2CF3-O)(dppf) [dppf = 1,1'-bis(diphenylphosphino)ferrocene]: A stable Pd(II) phosphine carboxylate as a precursor to heterobimetallic carboxylates
Yew Chin Neo; Jagadese J. Vittal; T. S. Andy Hor; J. Chem. Soc., Dalton Trans.  (2002) 337–342; doi:10.1039/b104539n

data_7010858
_publ_section_title
;
 Pd(O2CCF2CF3-O)2(dppf) and PdAg(\m-O2CCF2CF3)2(O2CCF2CF3-O)(dppf)
 [dppf = 1,1'-bis(diphenylphosphino)ferrocene]: A stable Pd(II)
 phosphine carboxylate as a precursor to heterobimetallic carboxylates
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              337
_journal_page_last               342
_journal_paper_doi               10.1039/b104539n
_journal_year                    2002
_chemical_formula_sum            'C43 H32 Ag F15 Fe O8 P2 Pd'
_chemical_formula_weight         1293.76
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.046(1)
_cell_angle_beta                 74.119(1)
_cell_angle_gamma                82.730(1)
_cell_formula_units_Z            2
_cell_length_a                   11.8087(1)
_cell_length_b                   13.7473(2)
_cell_length_c                   14.9548(1)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.06
_cell_volume                     2306.77(4)
_computing_cell_refinement       'Bruker AXS, SAINT'
_computing_data_collection       'Bruker AXS, SMART'
_computing_data_reduction        'Bruker AXS, SAINT'
_computing_molecular_graphics    'Bruker AXS, SHELXTL'
_computing_publication_material  'Bruker AXS, SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13307
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  0.6474
_exptl_absorpt_correction_T_min  0.4700
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'mulfaced blocks'
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         1.756
_refine_diff_density_min         -1.699
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       0.0006(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         9075
_refine_ls_number_restraints     694
_refine_ls_restrained_S_all      1.356
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0860P)^2^+10.6966P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1650
_refine_ls_wR_factor_ref         0.1706
_reflns_number_gt                8323
_reflns_number_total             9075
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104539n.txt
_cod_data_source_block           007
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010858