Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071115
Preview
Coordinates | 4071115.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H29 Mn N2 O4 |
---|---|
Calculated formula | C25 H29 Mn N2 O4 |
SMILES | [Mn]1234([CH]5=[C]1([C]2(=[CH]3C4[C@@H]5c1ccccc1)C1N(C)[C@H]2[C@@H](CCCC2)N1C)OC)(C#[O])(C#[O])C#[O] |
Title of publication | Unprecedented (η5-Formylcyclohexadienyl)Mn(CO)3Complexes: Synthesis, Structural and Theoretical Characterizations, and Resolution of the Planar Chirality |
Authors of publication | Jacques, Béatrice; Eloi, Antoine; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène; Herson, Patrick |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 11 |
Pages of publication | 2505 |
a | 10.5344 ± 0.0014 Å |
b | 13.924 ± 0.0008 Å |
c | 16.439 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2411.3 ± 0.5 Å3 |
Cell temperature | 250 K |
Ambient diffraction temperature | 250 K |
Number of distinct elements | 5 |
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 | 0.0543 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for all reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.0321 |
Weighted residual factors for all reflections included in the refinement | 0.0321 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0998 |
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/4071115.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.