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Information card for entry 1557599
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1557599.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BSA@ZIF-C |
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Formula | C9 H10 N4 O3 Zn2 |
Calculated formula | C9 H10 N4 O3 Zn2 |
Title of publication | Can 3D electron diffraction provide accurate atomic structures of metal-organic frameworks? |
Authors of publication | Huang, Zhehao; Ge, Meng; Carraro, Francesco; Doonan, Christian; Falcaro, Paolo; Zou, Xiaodong |
Journal of publication | Faraday discussions |
Year of publication | 2021 |
Journal volume | 225 |
Pages of publication | 118 - 132 |
a | 10.51 ± 0.002 Å |
b | 12.234 ± 0.002 Å |
c | 4.666 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 599.95 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 32 |
Hermann-Mauguin space group symbol | P b a 2 |
Hall space group symbol | P 2 -2ab |
Residual factor for all reflections | 0.2246 |
Residual factor for significantly intense reflections | 0.1559 |
Weighted residual factors for significantly intense reflections | 0.3731 |
Weighted residual factors for all reflections included in the refinement | 0.4535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.272 |
Diffraction radiation wavelength | 0.0251 Å |
Diffraction radiation type | electron |
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/1557599.html
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