A straightforward access to ruthenium-coordinated fluorophosphines from phosphorous oxyacids.
Delgado Calvo, Fuencisla; Mirabello, Vincenzo; Caporali, Maria; Oberhauser, Werner; Raltchev, Kolio; Karaghiosoff, Konstantin; Peruzzini, Maurizio; Dalton transactions (Cambridge, England : 2003) 45 (2016) 2284–2293; doi:10.1039/c5dt04624f

data_7037745
_publ_section_title
;
 A straightforward access to ruthenium-coordinated fluorophosphines from
 phosphorous oxyacids.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2284
_journal_page_last               2293
_journal_paper_doi               10.1039/c5dt04624f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C48 H42 F3 O5 P3 Ru S, C Cl2'
_chemical_formula_sum            'C49 H42 Cl2 F3 O5 P3 Ru S'
_chemical_formula_weight         1064.77
_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_date             2015-07-29T11:36:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-07-29 deposited with the CCDC.
2015-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.283(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5099(2)
_cell_length_b                   13.2579(2)
_cell_length_c                   28.0827(6)
_cell_measurement_temperature    150(2)
_cell_volume                     4629.68(14)
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97(J. Appl.Cryst.,1993,32,115)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type  OxfordDiffraction,Xcalibur3
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10653
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.9
_diffrn_reflns_theta_min         4.13
_exptl_absorpt_coefficient_mu    0.662
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'XABS2 (J. Appl. Cryst. 1995, 28, 53-56)'
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.553
_refine_diff_density_min         -1.439
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         10653
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0560P)^2^+6.4832P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                9192
_reflns_number_total             10653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04624f2.cif
_cod_data_source_block           peruz1
_cod_depositor_comments
'Adding full bibliography for 7037744--7037745.cif.'
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7037745