Synthesis and performance study of methylene-bridged bis(nitramino-1,2,4-oxadiazole) and its energetic salts
Cao, Yupeng; Lin, Xiangyang; Yang, Jun; Gong, Xuedong; Fan, Guijuan; Huang, Haifeng; New Journal of Chemistry 43 (2019) 5441–; doi:10.1039/C9NJ00421A

data_7058231
_publ_section_title
;
 Synthesis and performance study of methylene-bridged
 bis(nitramino-1,2,4-oxadiazole) and its energetic salts
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5441
_journal_paper_doi               10.1039/C9NJ00421A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C5 H10 N10 O6'
_chemical_formula_weight         306.23
_chemical_name_systematic        DNAMBO
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
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_audit_update_record
;
2018-11-07 deposited with the CCDC.    2019-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_min      5.267
_cell_volume                     1170.59(12)
_computing_cell_refinement       'Bruker SAINT'
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_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_absorpt_coefficient_mu    0.155
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_exptl_absorpt_correction_type   multi-scan
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_refine_diff_density_rms         0.033
_refine_ls_extinction_coef       0.027(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0317
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+0.6628P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0796
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1061
_reflns_number_total             1134
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7058231.cif.'
_cod_database_code               7058231
_shelx_estimated_absorpt_t_min   0.973
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_shelx_res_checksum              82595