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Information card for entry 4081559
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Coordinates | 4081559.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H11 Fe N2 O2 |
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Calculated formula | C15 H11 Fe N2 O2 |
Title of publication | Large-Scale Preparation of 1,1′-Ferrocenedicarboxylic Acid, a Key Compound for the Synthesis of 1,1′-Disubstituted Ferrocene Derivatives |
Authors of publication | Petrov, Alex R.; Jess, Kristof; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5946 |
a | 7.8985 ± 0.0007 Å |
b | 9.1385 ± 0.0008 Å |
c | 10.3167 ± 0.0008 Å |
α | 112.101 ± 0.008° |
β | 91.731 ± 0.007° |
γ | 112.435 ± 0.008° |
Cell volume | 624.46 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0252 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0664 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 1.54184 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/4081559.html
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structural data.