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Information card for entry 7246035
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Coordinates | 7246035.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H8 O6 |
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Calculated formula | C7 H8 O6 |
Title of publication | Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate |
Authors of publication | Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 5 |
Pages of publication | 770 - 784 |
a | 14.192 ± 0.004 Å |
b | 3.6287 ± 0.0009 Å |
c | 15.065 ± 0.003 Å |
α | 90° |
β | 97.547 ± 0.007° |
γ | 90° |
Cell volume | 769.1 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1281 |
Residual factor for significantly intense reflections | 0.0791 |
Weighted residual factors for significantly intense reflections | 0.1532 |
Weighted residual factors for all reflections included in the refinement | 0.1726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246035.html
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Users of the data should acknowledge the original authors of the
structural data.