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Information card for entry 4120296
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Coordinates | 4120296.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-dibromo-2,2-dinitroacetimidamide |
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Formula | C2 H2 Br2 N4 O4 |
Calculated formula | C2 H2 Br2 N4 O4 |
SMILES | BrN=C(N)C(Br)(N(=O)=O)N(=O)=O |
Title of publication | New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers |
Authors of publication | Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 11787 - 11790 |
a | 10.1648 ± 0.001 Å |
b | 10.6545 ± 0.001 Å |
c | 14.6781 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1589.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0622 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1085 |
Weighted residual factors for all reflections included in the refinement | 0.1126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4120296.html
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