Homoatomic P → P coordination: A versatile synthetic approach to polyphosphorus dications
Burford, Neil; Ragogna, Paul J.; McDonald, Robert; Ferguson, Michael J.; Chemical Communications (Cambridge, United Kingdom)  (2003) 2066–2067; doi:10.1039/b304984a

data_7103837
_publ_section_title
;
 Homoatomic P \\rightarrow  P coordination: A versatile synthetic approach to
 polyphosphorus dications
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   16
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2066
_journal_page_last               2067
_journal_paper_doi               10.1039/b304984a
_journal_year                    2003
_chemical_formula_moiety         'C32 H36 F6 O6 P4 S2'
_chemical_formula_sum            'C32 H36 F6 O6 P4 S2'
_chemical_formula_weight         818.61
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                96.528(3)
_cell_angle_beta                 93.131(3)
_cell_angle_gamma                99.431(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6372(12)
_cell_length_b                   13.5443(19)
_cell_length_c                   15.742(2)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.045
_cell_measurement_theta_min      2.397
_cell_volume                     1799.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11460
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         26.32
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.400
_exptl_absorpt_correction_T_max  0.9649
_exptl_absorpt_correction_T_min  0.7896
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.797
_refine_diff_density_min         -1.087
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1151
_refine_ls_R_factor_gt           0.0741
_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^)+(0.0910P)^2^+3.3707P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1764
_refine_ls_wR_factor_ref         0.2012
_reflns_number_gt                4743
_reflns_number_total             7168
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b304984a.txt
_cod_data_source_block           dal0248
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103837