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Information card for entry 4081359
Preview
Coordinates | 4081359.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H42 F6 Fe O2 P4 |
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Calculated formula | C40 H42 F6 Fe O2 P4 |
SMILES | [Fe]12345([P](OC)(OC)c6ccccc6)([P]([C@@H](C[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling |
Authors of publication | Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 17 |
Pages of publication | 4904 |
a | 14.8881 ± 0.0004 Å |
b | 12.242 ± 0.0004 Å |
c | 20.6738 ± 0.0006 Å |
α | 90° |
β | 94.951 ± 0.002° |
γ | 90° |
Cell volume | 3753.95 ± 0.19 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0527 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1276 |
Weighted residual factors for all reflections included in the refinement | 0.1329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation probe | x-ray |
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/4081359.html
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Users of the data should acknowledge the original authors of the
structural data.