Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)
Kazushi Mashima; Hiroshi Nakano; Akira Nakamura; Journal of the American Chemical Society 118 (1996) 9083–9095; doi:10.1021/ja960606g

data_4117168
_publ_section_title
;
 Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear
 Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four
 Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl,
 Br, I)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9083
_journal_page_last               9095
_journal_paper_doi               10.1021/ja960606g
_journal_volume                  118
_journal_year                    1996
_chemical_formula_sum            'C72 H60 Br2 Cl8 Mo2 N4 O4 P4 Pd2'
_space_group_IT_number           80
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      80
_symmetry_space_group_name_Hall  'I 4bw'
_symmetry_space_group_name_H-M   'I 41'
_audit_creation_date             'Tue Nov 21 21:07:52 1995'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   17.455(3)
_cell_length_b                   17.4548
_cell_length_c                   25.971(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      29.97
_cell_measurement_theta_min      29.35
_cell_volume                     7913(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC5R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.01036
_diffrn_orient_matrix_UB_12      -0.05154
_diffrn_orient_matrix_UB_13      0.01531
_diffrn_orient_matrix_UB_21      0.04691
_diffrn_orient_matrix_UB_22      -0.00495
_diffrn_orient_matrix_UB_23      -0.02185
_diffrn_orient_matrix_UB_31      0.03122
_diffrn_orient_matrix_UB_32      0.02453
_diffrn_orient_matrix_UB_33      0.02776
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3270
_diffrn_reflns_theta_max         30.0664
_diffrn_standards_decay_%        11.16
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 21.690
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_description       octahedron
_exptl_crystal_F_000             3976.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_min          0.500
_refine_diff_density_max         -0.41540
_refine_diff_density_min         0.32600
_refine_ls_extinction_coef       0.49817
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.090
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         2162
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0290
_refine_ls_shift/esd_max         4.6660
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0270
_cod_data_source_file            ja960606g_5.cif
_cod_data_source_block           Mo2Pd2Br2(pyphos)4.4(CH2Cl2)
_cod_original_cell_volume        7912(2)
_cod_original_sg_symbol_H-M      'I 41 '
_cod_original_formula_sum        'C72 H60 O4 N4 P4 Br2 Mo2 Pd2 Cl8'
_cod_database_code               4117168