Access to the first (iminophosphoranyl)(selenophosphoranyl)methane ligands Ph2P(=Se)CH2P(=NR)Ph2: coordination of their methanide and methandiide anions to ruthenium.
Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Dalton transactions (Cambridge, England : 2003) 39 (2010) 941–956; doi:10.1039/b916554a

data_7024405
_publ_section_title
;
 Access to the first (iminophosphoranyl)(selenophosphoranyl)methane
 ligands Ph2P(=Se)CH2P(=NR)Ph2: coordination of their methanide and
 methandiide anions to ruthenium.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              941
_journal_page_last               956
_journal_paper_doi               10.1039/b916554a
_journal_volume                  39
_journal_year                    2010
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C75 H65 F4 N7 P2 Ru Se, 2(C6 H6)'
_chemical_formula_sum            'C87 H77 F4 N7 P2 Ru Se'
_chemical_formula_weight         1538.53
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                76.770(2)
_cell_angle_beta                 85.316(2)
_cell_angle_gamma                73.684(2)
_cell_formula_units_Z            2
_cell_length_a                   14.3993(5)
_cell_length_b                   15.7608(4)
_cell_length_c                   18.2825(4)
_cell_measurement_reflns_used    10550
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      73.7616
_cell_measurement_theta_min      2.9843
_cell_volume                     3875.66(19)
_computing_cell_refinement
;
CrysAlisPro RED (Oxford Diffraction, 2008)
;
_computing_data_collection
;
CrysAlisPro CCD (Oxford Diffraction, 2008)
;
_computing_data_reduction
;
CrysAlisPro RED (Oxford Diffraction, 2008)
;
_computing_molecular_graphics    'PLATON (Spek, 2007)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.2640
_diffrn_measured_fraction_theta_full 0.905
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device
;
165 mm Onyx CCD detector in \k-geometry diffractometer
;
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur Nova
;
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            23124
_diffrn_reflns_theta_full        73.90
_diffrn_reflns_theta_max         73.90
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    3.036
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.064
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.029
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     929
_refine_ls_number_reflns         14214
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0667P)^2^+0.7560P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1251
_reflns_number_gt                10527
_reflns_number_total             14214
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b916554a.txt
_cod_data_source_block           10d
_cod_database_code               7024405