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Information card for entry 7005344
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Coordinates | 7005344.cif |
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Original paper (by DOI) | HTML |
Common name | N-(2-(2-pyridyl)ethyl) 1'- (diphennylphosphino)ferrocenecarboxamide |
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Chemical name | N-[2-(2-pyridyl)ethyl] 1'-(diphennylphosphino)ferrocenecarboxamide |
Formula | C30 H27 Fe N2 O P |
Calculated formula | C30 H27 Fe N2 O P |
SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(c1ccccc1)c1ccccc1)[c]1([cH]5[cH]6[cH]7[cH]81)C(=O)NCCc1ncccc1 |
Title of publication | Synthesis, coordination and catalytic use of 1-(diphenylphosphino)-1'-carbamoylferrocenes with pyridyl-containing N-substituents. |
Authors of publication | Kühnert, Janett; Dusek, Michal; Demel, Jan; Lang, Heinrich; Stepnicka, Petr |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 26 |
Pages of publication | 2802 - 2811 |
a | 8.709 ± 0.004 Å |
b | 11.067 ± 0.002 Å |
c | 13.459 ± 0.007 Å |
α | 87.88 ± 0.02° |
β | 75.51 ± 0.04° |
γ | 77.53 ± 0.02° |
Cell volume | 1226.1 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0624 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
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/7005344.html
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Users of the data should acknowledge the original authors of the
structural data.