Reactivity of the zwitterionic ligand EtNHC(S)Ph2PNPPh2C(S)NEt towards [Ru3(CO)12]. Sulfur transfer and ligand fragmentation leading to the methideylamide [-N(Et)-CH(R)-] μ3-bridging moiety
Delferro, Massimiliano; Pattacini, Roberto; Cauzzi, Daniele; Graiff, Claudia; Terenghi, Mattia; Predieri, Giovanni; Tiripicchio, Antonio; Dalton Transactions  (2009) 544–549; doi:10.1039/b812050a

data_7000312
_publ_section_title
;
 Reactivity of the zwitterionic ligand EtNHC(S)Ph2P&#xE001;NPPh2C(S)NEt
 towards [Ru3(CO)12]. Sulfur transfer and ligand fragmentation leading
 to the methideylamide [-N(Et)-CH(R)-] \m3-bridging moiety
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              544
_journal_page_last               549
_journal_paper_doi               10.1039/b812050a
_journal_year                    2009
_chemical_formula_sum            'C36 H26 N2 O9 P2 Ru3 S'
_chemical_formula_weight         1027.80
_chemical_name_systematic
;
?
;
_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                 91.58(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.737(3)
_cell_length_b                   21.612(4)
_cell_length_c                   34.138(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.12
_cell_volume                     7919(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'BRUKER AXS SMART 1000'
_diffrn_measurement_method       'omega scan'
_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  0.0597
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            69593
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    1.317
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.8111
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS,Sheldrick, ver 2.03'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             4048
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.454
_refine_diff_density_min         -0.632
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     963
_refine_ls_number_reflns         23041
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0480P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1008
_refine_ls_wR_factor_ref         0.1175
_reflns_number_gt                16946
_reflns_number_total             23041
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812050a.txt
_cod_data_source_block           c2
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7000312