Sterically controlled reactivity of palladium(ii) tetranuclear cyclometallated complexes. Crystal and molecular structure of the novel tetranuclear compound [Pd2{1,3-[C(H)NCH2C4H7O]2C6H2}(µ-Cl)(Cl)(PPh3)]2Electronic supplementary information (ESI) available: 1H and 31P NMR data for compounds 1‒15 and 17. See http://www.rsc.org/suppdata/nj/b1/b111671a/
Fernández, Alberto; Pereira, Esther; Fernández, Jesús J.; López-Torres, Margarita; Suárez, Antonio; Mosteiro, Roberto; Pereira, M. Teresa; Vila, José M.; New Journal of Chemistry 26 (2002) 895–; doi:10.1039/b111671a

data_7050829
_publ_section_title
;
 Sterically controlled reactivity of palladium(ii) tetranuclear
 cyclometallated complexes. Crystal and molecular structure of the
 novel tetranuclear compound
 [Pd2{1,3-[C(H)&#xE006;NCH2C4H7O]2C6H2}(&#x00B5;-Cl)(Cl)(PPh3)]2Electronic
 supplementary information (ESI) available: 1H and 31P NMR data for
 compounds 1--15 and 17. See
 http://www.rsc.org/suppdata/nj/b1/b111671a/
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              895
_journal_paper_doi               10.1039/b111671a
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C78 H80 Cl22 N4 O4 P2 Pd4'
_chemical_formula_weight         2404.90
_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                84.5080(10)
_cell_angle_beta                 80.9080(10)
_cell_angle_gamma                67.8080(10)
_cell_formula_units_Z            2
_cell_length_a                   13.2641(3)
_cell_length_b                   16.4647(3)
_cell_length_c                   23.7877(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4746.03(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            32809
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         0.87
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  0.6708
_exptl_absorpt_correction_T_min  0.5034
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.511
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1093
_refine_ls_number_reflns         22629
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0722
_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^)+(0.0937P)^2^+24.9349P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1820
_refine_ls_wR_factor_ref         0.2158
_reflns_number_gt                15144
_reflns_number_total             22629
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b111671a.txt
_cod_data_source_block           eg45
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7050829