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Information card for entry 7232331
Preview
Coordinates | 7232331.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-iodoanilinium 3,5-dinitrobenzoate |
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Formula | C13 H10 I N3 O6 |
Calculated formula | C13 H10 I N3 O6 |
Title of publication | Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour |
Authors of publication | Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 10 |
Pages of publication | 1626 |
a | 6.7588 ± 0.0001 Å |
b | 12.0929 ± 0.0002 Å |
c | 36.4619 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2980.16 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0213 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0472 |
Weighted residual factors for all reflections included in the refinement | 0.0476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/7232331.html
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