Bis(borano)hypophosphite-based ionic liquids as ultrafast-igniting hypergolic fuels
Zhang, Wenquan; Qi, Xiujuan; Huang, Shi; Li, Jianling; Tang, Chenglong; Li, Jinshan; Zhang, Qinghua; Journal of Materials Chemistry A 4 (2016) 8978–; doi:10.1039/C6TA02699K

data_7236323
_publ_section_title
;
 Bis(borano)hypophosphite-based ionic liquids as ultrafast-igniting
 hypergolic fuels
;
_journal_issue                   23
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              8978
_journal_paper_doi               10.1039/C6TA02699K
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C4 H20 B2 N P'
_chemical_formula_weight         134.80
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-10-09 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.806(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.1712(3)
_cell_length_b                   8.0425(5)
_cell_length_c                   10.4934(4)
_cell_measurement_temperature    293(2)
_cell_volume                     514.67(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3019
_diffrn_reflns_theta_full        67.06
_diffrn_reflns_theta_max         67.06
_diffrn_reflns_theta_min         6.97
_exptl_absorpt_coefficient_mu    1.752
_exptl_crystal_density_diffrn    0.870
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             152
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.184
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0614
_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^)+(0.1154P)^2^+0.0961P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1770
_refine_ls_wR_factor_ref         0.1863
_reflns_number_gt                875
_reflns_number_total             997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ta02699k2.cif
_cod_data_source_block           1
_cod_original_cell_volume        514.67(4)
_cod_database_code               7236323