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Information card for entry 7110454
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7110454.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H39 Cr N O13 S32 |
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Calculated formula | C53 H36 Cr N O13 S32 |
Title of publication | Polymorphism based on molecular stereoisomerism in tris(oxalato) Cr(III) salts of bedt-ttf [bis(ethylenedithio)tetrathiafulvalene] |
Authors of publication | Martin, Lee; Turner, Scott S.; Day, Peter; Abdul Malik, K. M.; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 6 |
Pages of publication | 513 |
a | 10.371 ± 0.002 Å |
b | 19.518 ± 0.003 Å |
c | 35.646 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7215.5 ± 1.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1764 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections | 0.1243 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Goodness-of-fit parameter for all reflections | 0.731 |
Goodness-of-fit parameter for significantly intense reflections | 1.041 |
Diffraction radiation wavelength | 0.71069 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/7110454.html
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Users of the data should acknowledge the original authors of the
structural data.