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Information card for entry 7247567
Preview
Coordinates | 7247567.cif |
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Original paper (by DOI) | HTML |
Formula | As2 Cl3 La5 S9 |
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Calculated formula | As2 Cl3 La5 S9 |
Title of publication | Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure |
Authors of publication | Cicirello, Andrea; Swindle, Andrew; Wang, Jian |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 45 |
Pages of publication | 6354 - 6360 |
a | 7.0472 ± 0.0003 Å |
b | 7.1152 ± 0.0003 Å |
c | 37.1137 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1860.96 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288811 (current) | 2024-01-06 | cif/ Updating files of 7247566, 7247567 Original log message: Adding full bibliography for 7247566--7247567.cif. |
7247567.cif |
287080 | 2023-10-24 | cif/ Adding structures of 7247566, 7247567 via cif-deposit CGI script. |
7247567.cif |
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Users of the data should acknowledge the original authors of the
structural data.