In situ complexation of lithium chloride by amphiprotic cyclophosphazenes
Richards, Philip I.; Benson, Mark A.; Steiner, Alexander; Chemical Communications (Cambridge, United Kingdom)  (2003) 1392–1393; doi:10.1039/b301725g

data_7113726
_publ_section_title
;
 In situ complexation of lithium chloride by amphiprotic cyclophosphazenes
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   12
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1392
_journal_page_last               1393
_journal_paper_doi               10.1039/b301725g
_journal_year                    2003
_chemical_formula_sum            'C24 H60 Cl2 Li2 N9 O6 P3'
_chemical_formula_weight         748.50
_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                70.746(2)
_cell_angle_beta                 85.124(2)
_cell_angle_gamma                80.226(2)
_cell_formula_units_Z            2
_cell_length_a                   11.0489(14)
_cell_length_b                   11.7087(16)
_cell_length_c                   16.158(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1943.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0611
_diffrn_reflns_av_sigmaI/netI    0.0893
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8541
_diffrn_reflns_theta_full        23.28
_diffrn_reflns_theta_max         23.28
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    0.337
_exptl_absorpt_correction_type   'not applied'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.534
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.868
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         5529
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      0.868
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0380
_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^)+(0.0369P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0845
_reflns_number_gt                3684
_reflns_number_total             5529
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7103697
_cod_data_source_file            b301725g.txt
_cod_data_source_block           4a
_cod_original_cell_volume        1943.9(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7113726