Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016665
Preview
Coordinates | 7016665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 B Cr2 N O8 |
---|---|
Calculated formula | C17 H16 B Cr2 N O8 |
SMILES | [Cr]12345([c]6([cH]1[cH]2[cH]3[cH]4[cH]56)C[N](C)(C)[BH2][H][Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | A homobimetallic complex of chromium(0) with a σ-borane component. |
Authors of publication | Bera, Barun; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10592 - 10597 |
a | 9.7455 ± 0.0014 Å |
b | 12.2564 ± 0.0018 Å |
c | 17.324 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2069.3 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0745 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0741 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7016665.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.