Unexpected activation of carbon-bromide bond promoted by palladium nanoparticles in Suzuki C-C couplings.
Sanhes, Delphine; Raluy, Eva; Rétory, Stéphane; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat; Dalton transactions (Cambridge, England : 2003) 39 (2010) 9719–9726; doi:10.1039/c0dt00201a

data_7026112
_publ_section_title
;
 Unexpected activation of carbon-bromide bond promoted by palladium
 nanoparticles in Suzuki C-C couplings.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9719
_journal_page_last               9726
_journal_paper_doi               10.1039/c0dt00201a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C26 H38 N2 O7 Pd'
_chemical_formula_weight         596.98
_space_group_IT_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                 101.045(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2894(4)
_cell_length_b                   11.9637(5)
_cell_length_c                   20.1191(8)
_cell_measurement_temperature    173(2)
_cell_volume                     2667.01(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0631
_diffrn_reflns_av_sigmaI/netI    0.1040
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12249
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         5.12
_exptl_absorpt_coefficient_mu    0.742
_exptl_absorpt_correction_T_max  0.9638
_exptl_absorpt_correction_T_min  0.9295
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.827
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         4468
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0066P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0606
_reflns_number_gt                2846
_reflns_number_total             4468
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00201a.txt
_cod_data_source_block           mg01m
_cod_database_code               7026112