Selective conversion of alcohols in water to carboxylic acids by in situ generated ruthenium trans dihydrido carbonyl PNP complexes.
Choi, Jong-Hoo; Heim, Leo E.; Ahrens, Mike; Prechtl, Martin H. G.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 17248–17254; doi:10.1039/c4dt01634c

data_7031507
_publ_section_title
;
 Selective conversion of alcohols in water to carboxylic acids by in situ
 generated ruthenium trans dihydrido carbonyl PNP complexes.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17248
_journal_page_last               17254
_journal_paper_doi               10.1039/c4dt01634c
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C26 H55 N O5 P2 Ru'
_chemical_formula_sum            'C26 H55 N O5 P2 Ru'
_chemical_formula_weight         624.72
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 113.029(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6024(4)
_cell_length_b                   20.5977(6)
_cell_length_c                   14.1642(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     3115.24(17)
_computing_cell_refinement       'X-AREA (STOE & Cie 2001)'
_computing_data_collection       'X-AREA (STOE & Cie 2001)'
_computing_data_reduction        'X-RED (STOE & Cie 2001)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Burla et al., 1992)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'STOE IPDS II T'
_diffrn_measurement_method       'w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0394
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31157
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.789
_diffrn_reflns_theta_min         1.849
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  0.9481
_exptl_absorpt_correction_T_min  0.7789
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_exptl_crystal_colour            red
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_exptl_crystal_density_method    'not measured'
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_refine_ls_number_parameters     316
_refine_ls_number_reflns         6585
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0308
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0459P)^2^+2.3663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0823
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5721
_reflns_number_total             6585
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7031507.cif.'
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