Formaldehyde–aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization
Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Acta Crystallographica Section C 74 (2018) –; doi:10.1107/S2053229617018514

data_2020894
_publ_section_title
;
 Formaldehyde--aminoguanidine condensation and aminoguanidine
 self-condensation products: syntheses, crystal structures and
 characterization
;
_journal_coeditor_code           JX3005
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229617018514
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C3 H14 N8 2+, 2N O3 -'
_chemical_formula_moiety         'C3 H14 N8 2+, 2(N O3 -)'
_chemical_formula_sum            'C3 H14 N10 O6'
_chemical_formula_weight         286.24
_chemical_name_common
;
2,2'-Methylenedihydrazinecarboximidamide dinitrate
;
_chemical_name_systematic
;
2,8-Diamino-1,3,4,6,7,9-hexaazanona-1,8-diene-1,9-diium dinitrate
;
_space_group_IT_number           56
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_cell_length_b                   13.0236(6)
_cell_length_c                   14.1585(5)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.643
_cell_volume                     2341.61(15)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2016)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2016)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
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;
WinGX (Farrugia, 2012)
;
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;
SHELXL2014 (Sheldrick, 2015b)
;
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;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         30.749
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_exptl_absorpt_coefficient_mu    0.148
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;
(CrysAlis PRO; Rigaku OD, 2016)
      .
;
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_exptl_crystal_size_mid          0.238
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_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0832
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_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0413P)^2^+0.6740P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1146
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_reflns_threshold_expression     'I > 2\s(I)'
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