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Information card for entry 4076323
Preview
Coordinates | 4076323.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H23 Co O4 |
---|---|
Calculated formula | C28 H23 Co O4 |
SMILES | [Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.O=C(O)[C@@H]1C2c3c(cccc3)C(c3c2cccc3)[C@H]1C(=O)[O-].[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.O=C(O)[C@H]1C2c3c(cccc3)C(c3c2cccc3)[C@@H]1C(=O)[O-] |
Title of publication | Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds |
Authors of publication | Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 1688 |
a | 15.9614 ± 0.0009 Å |
b | 9.8616 ± 0.0005 Å |
c | 14.7153 ± 0.0009 Å |
α | 90° |
β | 105.083 ± 0.007° |
γ | 90° |
Cell volume | 2236.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.059 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.0791 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
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/4076323.html
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Users of the data should acknowledge the original authors of the
structural data.