Dilithio-1,1,2-tris(diphenylphosphinoyl)ethane-1,2-diide: the first formal 1,2-dicarbanion stabilised by phosphorus?Electronic supplementary information (ESI) available: atomic coordinates for 1 and calculated atomic coordinates for 3 along with calculated energies. See http://www.rsc.org/suppdata/cc/b2/b206963f/
Izod, Keith; McFarlane, William; Clegg, William; Chemical Communications  (2002) 2532–; doi:10.1039/b206963f

data_7111247
_publ_section_title
;
 Dilithio-1,1,2-tris(diphenylphosphinoyl)ethane-1,2-diide: the first
 formal 1,2-dicarbanion stabilised by phosphorus?Electronic supplementary
 information (ESI) available: atomic coordinates for 1 and calculated
 atomic coordinates for 3 along with calculated energies. See
 http://www.rsc.org/suppdata/cc/b2/b206963f/
;
_journal_issue                   21
_journal_name_full               'Chemical Communications'
_journal_page_first              2532
_journal_paper_doi               10.1039/b206963f
_journal_year                    2002
_chemical_formula_sum            'C105 H102 Li4 O8 P6'
_chemical_formula_weight         1705.45
_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                 97.956(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.1978(6)
_cell_length_b                   16.1487(7)
_cell_length_c                   19.8548(8)
_cell_measurement_reflns_used    28631
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.27
_cell_volume                     4508.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35838
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.177
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.932
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.732
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.271
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         10355
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.271
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0432P)^2^+9.7938P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1689
_refine_ls_wR_factor_ref         0.1739
_reflns_number_gt                8725
_reflns_number_total             10355
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b206963fsup1.cif
_cod_data_source_block           ki77
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7111247