N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities
Tobias Fendt; Thomas M. Klapötke; Inorganic Chemistry 50 (2011) 1447–1458; doi:10.1021/ic1019923

data_4324441
_publ_contact_author_address
;
Department Chemie
Ludwig-Maximilians Universit\"at
Butenandtstra\&se 5-13 (Haus D)
D-81377 M\"unchen
Bundesrepublik Deutschland
;
_publ_contact_author_email       tmk@cup.uni-muenchen.de
_publ_contact_author_fax         +49-89-2180-77491
_publ_contact_author_name        'Thomas M. Klapo\"tke'
_publ_contact_author_phone       +49-89-2180-77492
_publ_section_title
;
 N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with
 Low Sensitivities
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1447
_journal_page_last               1458
_journal_paper_doi               10.1021/ic1019923
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C2 H3 N6 O2, C H6 N3'
_chemical_formula_sum            'C3 H9 N9 O2'
_chemical_formula_weight         203.19
_chemical_name_common            'guanidinium 2-methyl-5-nitriminotetrazolate'
_chemical_name_systematic        'guanidinium 2-methyl-5-nitriminotetrazolate'
_space_group_IT_number           4
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_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
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_audit_author_name               'Joerg Stierstorfer'
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;
'Sun Nov 22 22:01:53 2009'
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_cell_length_a                   3.6562(3)
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_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.2449
_cell_measurement_theta_min      4.3957
_cell_volume                     413.61(6)
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;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.27p5 beta (release 01-04-2005 CrysAlis171 .NET)
(compiled Apr  1 2005,17:53:34)
;
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.27p5 beta (release 01-04-2005 CrysAlis171 .NET)
(compiled Apr  1 2005,17:53:34)
;
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.27p5 beta (release 01-04-2005 CrysAlis171 .NET)
(compiled Apr  1 2005,17:53:34)
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'ORTEP (M. N. Burnett, C. K. Johnson, ORTEP-III: Oak Ridge Thermal Ellipsoid
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_diffrn_ambient_temperature      200
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_diffrn_measurement_device       'CCD camera on \k-goniostat'
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_diffrn_orient_matrix_UB_13      0.0059014520
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_diffrn_reflns_number            1703
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_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         4.41
_diffrn_source_current           40
_diffrn_source_type              'Spellman generator'
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_exptl_absorpt_coefficient_mu    0.136
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;SCALE3 ABSPACK - An Oxford Diffraction program (1.0.4,gui:1.0.3)
(C) 2005 Oxford Diffraction Ltd.
;
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_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.052
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -10(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.915
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         988
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_refine_ls_restrained_S_all      0.914
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_refine_ls_R_factor_gt           0.0371
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_refine_ls_structure_factor_coef Fsqd
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_refine_ls_wR_factor_gt          0.0726
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