Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4067464
Preview
Coordinates | 4067464.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H15 B7 Fe N2 O3 |
---|---|
Calculated formula | C11 H15 B7 Fe N2 O3 |
SMILES | [C]1234OC(=[NH][Fe]5671([BH]182[BH]293[BH]345[BH]459[BH]982[BH]261[BH]734[CH]592)(C#[O])C#[O])c1ccc(N)cc1 |
Title of publication | Toward Supramolecular Assembly of 10-Vertex {closo-2,1,10-FeC2B7} Clusters: Intramolecular Imidate Formation and Polymetallic, Polycluster Species |
Authors of publication | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 10 |
Pages of publication | 2234 |
a | 33.19 ± 0.008 Å |
b | 7.603 ± 0.0016 Å |
c | 12.716 ± 0.003 Å |
α | 90° |
β | 90.621 ± 0.004° |
γ | 90° |
Cell volume | 3208.6 ± 1.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0662 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4067464.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.