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Information card for entry 4084192
Preview
Coordinates | 4084192.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H18 Cl2 Fe2 N2 Pt |
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Calculated formula | C22 H18 Cl2 Fe2 N2 Pt |
SMILES | C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)#[N][Pt]([N]#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(Cl)Cl |
Title of publication | From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry |
Authors of publication | Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 16 |
Pages of publication | 4279 |
a | 9.4599 ± 0.0002 Å |
b | 11.8122 ± 0.0006 Å |
c | 37.4511 ± 0.0011 Å |
α | 89.585 ± 0.003° |
β | 89.441 ± 0.002° |
γ | 87.676 ± 0.003° |
Cell volume | 4181.1 ± 0.3 Å3 |
Cell temperature | 106.4 ± 0.5 K |
Ambient diffraction temperature | 106.4 ± 0.5 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1093 |
Residual factor for significantly intense reflections | 0.0945 |
Weighted residual factors for significantly intense reflections | 0.2703 |
Weighted residual factors for all reflections included in the refinement | 0.2795 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/4084192.html
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Users of the data should acknowledge the original authors of the
structural data.