The N-donor stabilised cyclotriphosphazene hexacation [P3N3(DMAP)6]6+.
Boomishankar, Ramamoorthy; Ledger, Joanne; Guilbaud, Jean-Baptiste; Campbell, Neil L; Bacsa, John; Bonar-Law, Richard; Khimyak, Yaroslav Z; Steiner, Alexander; Chemical communications (Cambridge, England)  (2007) 5152–5154; doi:10.1039/b713847d

data_7102380
_publ_section_title
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 The N-donor stabilised cyclotriphosphazene hexacation [P3N3(DMAP)6]6+.
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_journal_issue                   48
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5152
_journal_page_last               5154
_journal_paper_doi               10.1039/b713847d
_journal_year                    2007
_chemical_formula_sum            'C61 H79 Cl63 N15 P3'
_chemical_formula_weight         3348.65
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.836(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.056(8)
_cell_length_b                   26.748(10)
_cell_length_c                   25.940(10)
_cell_measurement_temperature    173(2)
_cell_volume                     13899(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Smart Apex'
_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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0840
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30530
_diffrn_reflns_theta_full        18.85
_diffrn_reflns_theta_max         18.85
_diffrn_reflns_theta_min         4.08
_exptl_absorpt_coefficient_mu    1.295
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6664
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.286
_refine_diff_density_min         -0.721
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     921
_refine_ls_number_reflns         10808
_refine_ls_number_restraints     6154
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1374
_refine_ls_R_factor_gt           0.0958
_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^)+(0.0757P)^2^+238.2296P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2093
_refine_ls_wR_factor_ref         0.2304
_reflns_number_gt                7383
_reflns_number_total             10808
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b713847d.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7102380