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Information card for entry 7042506
Preview
Coordinates | 7042506.cif |
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Original paper (by DOI) | HTML |
Common name | dimethyl 2,2-(1,2-diazidoethane-1,2-diylidene)bis(hydrazinecarboxylate) |
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Chemical name | dimethyl 2,2-(1,2-diazidoethane-1,2-diylidene)bis(hydrazinecarboxylate) |
Formula | C6 H8 N10 O4 |
Calculated formula | C6 H8 N10 O4 |
SMILES | C(=N\NC(=O)OC)(N=N#N)/C(N=N#N)=N/NC(=O)OC |
Title of publication | Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole. |
Authors of publication | Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 15 |
Pages of publication | 5033 - 5040 |
a | 4.1866 ± 0.0007 Å |
b | 7.2348 ± 0.001 Å |
c | 10.3368 ± 0.0013 Å |
α | 81.092 ± 0.005° |
β | 83.309 ± 0.006° |
γ | 75.044 ± 0.006° |
Cell volume | 297.88 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0671 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.