Cleavage of homometallic and formation of heterometallic M‒M bonds. Serendipitous syntheses of bimetallic MnPd(µ-PPh2)(CO)4(η2-P‒P) (P‒P = dppm, dppe, dppf) and polymetallic Mn2Pd2Ag(µ-Cl)(µ-PPh2)2(µ-dppm)(CO)8
Liu, Ye; Lee, Kim Hun; Vittal, Jagadese J.; Hor, Tzi Sum Andy; Journal of the Chemical Society, Dalton Transactions  (2002) 2747–; doi:10.1039/b202001g

data_7011593
_publ_section_title
;
 Cleavage of homometallic and formation of heterometallic M--M bonds.
 Serendipitous syntheses of bimetallic
 MnPd(&#x00B5;-PPh2)(CO)4(\h2-P--P) (P--P = dppm, dppe, dppf) and
 polymetallic Mn2Pd2Ag(&#x00B5;-Cl)(&#x00B5;-PPh2)2(&#x00B5;-dppm)(CO)8
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2747
_journal_paper_doi               10.1039/b202001g
_journal_year                    2002
_chemical_formula_sum            'C53 H44 Fe Mn O5 P3 Pd'
_chemical_formula_weight         1070.98
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 92.5950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4500(6)
_cell_length_b                   10.7239(5)
_cell_length_c                   33.3018(15)
_cell_measurement_reflns_used    4623
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      24.2
_cell_measurement_theta_min      2.25
_cell_volume                     4798.4(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      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0722
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            27407
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.075
_exptl_absorpt_correction_T_max  0.9189
_exptl_absorpt_correction_T_min  0.8468
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.172
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         8445
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0420
_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^)+(0.0080P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0580
_refine_ls_wR_factor_ref         0.0604
_reflns_number_gt                5967
_reflns_number_total             8445
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202001g.txt
_cod_data_source_block           1280
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7011593