Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4116302
Preview
Coordinates | 4116302.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | {2,3-(Cp*Rh)2}B3H7 |
---|---|
Formula | C20 H37 B3 Rh2 |
Calculated formula | C20 H37 B3 Rh2 |
SMILES | [Rh]12345678([Rh]9%10%11%12%13%14([BH]%151[BH]12([BH]9%15([H]1)[H]%14)[H]8)([c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[H]7)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C |
Title of publication | Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5) |
Authors of publication | Xinjian Lei; Maoyu Shang; Thomas P. Fehlner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 1275 - 1287 |
a | 15.2677 ± 0.0014 Å |
b | 8.7342 ± 0.0011 Å |
c | 17.324 ± 0.002 Å |
α | 90° |
β | 103.572 ± 0.009° |
γ | 90° |
Cell volume | 2245.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0298 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for all reflections | 0.0739 |
Weighted residual factors for significantly intense reflections | 0.0713 |
Goodness-of-fit parameter for all reflections | 1.105 |
Goodness-of-fit parameter for significantly intense reflections | 1.116 |
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/4116302.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.