Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure
McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.; Energy & Fuels 28 (2014) 3460–; doi:10.1021/ef500264z

data_1514326
_publ_section_title
;
 Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from
 Molecular Structure
;
_journal_issue                   5
_journal_name_full               'Energy &amp; Fuels'
_journal_page_first              3460
_journal_paper_doi               10.1021/ef500264z
_journal_volume                  28
_journal_year                    2014
_chemical_formula_sum            'C8 H9 N5 O2'
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_cell_angle_gamma                66.763(5)
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       shard
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_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0631
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0437P)^2^+0.0844P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1514323--1514327.cif.'
_cod_original_cell_volume        490.10(9)
_cod_database_code               1514326
_shelx_estimated_absorpt_t_min   0.973
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_shelx_res_checksum              48464
_shelx_hkl_checksum              86149