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Information card for entry 7202547
Preview
Coordinates | 7202547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H24 Cl2 N2 O2 |
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Calculated formula | C14 H24 Cl2 N2 O2 |
SMILES | [Cl-].[Cl-].[OH2][H][OH2+].N(c1cccc2cccc([NH+](C)C)c12)(C)C |
Title of publication | Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions |
Authors of publication | Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak |
Journal of publication | CrystEngComm |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 152 |
a | 9.646 ± 0.001 Å |
b | 9.901 ± 0.001 Å |
c | 10.148 ± 0.001 Å |
α | 70.539 ± 0.001° |
β | 74.132 ± 0.001° |
γ | 80.887 ± 0.001° |
Cell volume | 876.57 ± 0.15 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0308 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/7202547.html
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Users of the data should acknowledge the original authors of the
structural data.