Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4077151
Preview
Coordinates | 4077151.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H24 B14 Os |
---|---|
Calculated formula | C8 H24 B14 Os |
SMILES | [Os]123456789%10([C]%11%12([CH]%13%142[BH]2%155[CH]51[BH]1%164[BH]43%11[BH]3%12%13[BH]%11%14%15[BH]251[BH]%1643%11)C)[C]12([CH]347[BH]57%10[CH]%106[BH]6%119[BH]981[BH]123[BH]247[BH]5%106[BH]%11912)C |
Title of publication | Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process |
Authors of publication | Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G. |
Journal of publication | Organometallics |
Year of publication | 2002 |
Journal volume | 21 |
Journal issue | 23 |
Pages of publication | 5078 |
a | 7.798 ± 0.0006 Å |
b | 17.6859 ± 0.0011 Å |
c | 6.6743 ± 0.0004 Å |
α | 99.126 ± 0.005° |
β | 109.228 ± 0.004° |
γ | 78.123 ± 0.004° |
Cell volume | 846.41 ± 0.1 Å3 |
Cell temperature | 210 ± 2 K |
Ambient diffraction temperature | 210 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for all reflections | 0.1372 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Goodness-of-fit parameter for all reflections | 1.073 |
Goodness-of-fit parameter for significantly intense reflections | 1.04 |
Diffraction radiation wavelength | 0.71069 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/4077151.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.