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Information card for entry 4082656
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Coordinates | 4082656.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2-ferrocenyl)cyclopenta[l]phenanthrene |
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Formula | C27 H20 Fe |
Calculated formula | C27 H20 Fe |
SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C1=Cc2c(C1)c1ccccc1c1ccccc21)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Charge Transfer Properties in Cyclopenta[l]phenanthrene Ferrocenyl Complexes |
Authors of publication | Donoli, Alessandro; Bisello, Annalisa; Cardena, Roberta; Prinzivalli, Cristina; Crisma, Marco; Santi, Saverio |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 5 |
Pages of publication | 1135 |
a | 10.764 ± 0.0007 Å |
b | 15.7212 ± 0.0011 Å |
c | 11.9089 ± 0.0008 Å |
α | 90° |
β | 109.485 ± 0.007° |
γ | 90° |
Cell volume | 1899.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0993 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.0849 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.897 |
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/4082656.html
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