Highly electrophilic, 16-electron [Ru(P(OMe)(OH)(2))(dppe)(2)](2+) complex turns H(2)(g) into a strong acid and splits a Si-H bond heterolytically. Synthesis and structure of the novel phosphorous acid complex [Ru(P(OH)(3))(dppe)(2)](2+).
Nagaraja, C. M.; Nethaji, Munirathinam; Jagirdar, Balaji R.; Inorganic chemistry 44 (2005) 4145–4147; doi:10.1021/ic050026x

data_4340418
_publ_section_title
;
 Highly electrophilic, 16-electron [Ru(P(OMe)(OH)(2))(dppe)(2)](2+)
 complex turns H(2)(g) into a strong acid and splits a Si-H bond
 heterolytically. Synthesis and structure of the novel phosphorous acid
 complex [Ru(P(OH)(3))(dppe)(2)](2+).
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4145
_journal_page_last               4147
_journal_paper_doi               10.1021/ic050026x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C54 H55 F6 O11 P5 Ru S2'
_chemical_formula_sum            'C54 H55 F6 O11 P5 Ru S2'
_chemical_formula_weight         1314.02
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7747(15)
_cell_length_b                   14.3190(15)
_cell_length_c                   29.377(3)
_cell_measurement_temperature    290
_cell_measurement_theta_max      24.7
_cell_measurement_theta_min      1.6
_cell_volume                     5794.3(11)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP-03
_computing_publication_material  'WINGX PUBLICATION ROUTINES(FARRUGIA-1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      290
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  Smart-Apex
_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  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0163
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            41086
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  0.9044
_exptl_absorpt_correction_T_min  0.7664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.212
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.028(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.697
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     750
_refine_ls_number_reflns         9879
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.697
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1072P)^2^+3.8270P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                9606
_reflns_number_total             9879
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050026xsi20050502_094543.cif
_cod_data_source_block           nag6_
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               4340418