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Information card for entry 4064888
Preview
Coordinates | 4064888.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ru(Cp*){1,2-C5H3(CO)2-1,2-C5H3)}Fe(Cp)] |
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Chemical name | [Ru(Cp*){m2-h5:h5-1,2-C5H3(CO)2-1,2-C5H3)}Fe(Cp)] |
Formula | C27 H26 Fe O2 Ru |
Calculated formula | C27 H26 Fe O2 Ru |
SMILES | [Ru]12345678([c]9%10[cH]1[cH]2[cH]3[c]49C(=O)[c]12[cH]3[Fe]49%11%12%13%141([cH]3[cH]4[c]29C%10=O)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
Title of publication | Ruthenocene 1,2-Dicarboxylic Acid, Carboxylic Anhydride, and Acid Chloride: A Facile Route to Metallocene-Fused Acenequinones |
Authors of publication | Pokharel, Uttam Raj; Selegue, John P.; Parkin, Sean |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 12 |
Pages of publication | 3254 |
a | 7.3554 ± 0.0003 Å |
b | 11.1759 ± 0.0005 Å |
c | 12.9896 ± 0.0005 Å |
α | 90° |
β | 92.167 ± 0.002° |
γ | 90° |
Cell volume | 1067.02 ± 0.08 Å3 |
Cell temperature | 90 ± 0.2 K |
Ambient diffraction temperature | 90 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0665 |
Weighted residual factors for significantly intense reflections | 0.1958 |
Weighted residual factors for all reflections included in the refinement | 0.196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4064888.html
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structural data.