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Information card for entry 4084074
Preview
Coordinates | 4084074.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [FeBr(CO)(2a)]SbF6 (cis-11a) |
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Formula | C35 H34 Br F6 Fe N2 O P2 Sb |
Calculated formula | C35 H34 Br F6 Fe N2 O P2 Sb |
SMILES | [Fe]123(Br)([P@@]4(c5c(C=[N]2[C@@H]2[C@@H]([N]3=Cc3c([P@@]1(CC4)c1ccccc1)cccc3)CCCC2)cccc5)c1ccccc1)C#[O].[Sb](F)(F)(F)(F)(F)[F-] |
Title of publication | Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest |
Authors of publication | Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 15 |
Pages of publication | 4086 |
a | 10.2747 ± 0.0006 Å |
b | 16.0208 ± 0.0009 Å |
c | 21.1717 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3485.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0689 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1328 |
Weighted residual factors for all reflections included in the refinement | 0.1426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4084074.html
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