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Information card for entry 4071919
Preview
Coordinates | 4071919.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 04217 |
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Formula | C22 H22 Cr |
Calculated formula | C22 H22 Cr |
SMILES | [Cr]12345678([c]9%10[c]3([cH]2[cH]1[cH]49)c(ccc%10C)C)[c]12[c]8([cH]7[cH]6[cH]51)c(ccc2C)C |
Title of publication | Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution |
Authors of publication | Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 21 |
Pages of publication | 5464 |
a | 15.3746 ± 0.0014 Å |
b | 18.3542 ± 0.0016 Å |
c | 12.656 ± 0.001 Å |
α | 90° |
β | 108.44 ± 0.002° |
γ | 90° |
Cell volume | 3388 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4071919.html
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Users of the data should acknowledge the original authors of the
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