Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027631
Preview
Coordinates | 7027631.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tris(N,N-dimethylcarbamato-O,O')-η^5^-2,3-dicarbaundecaborane(11)- tantalum(V) hemi-toluene |
---|---|
Formula | C14.5 H33 B9 N3 O6 Ta |
Calculated formula | C14.5 H33 B9 N3 O6 Ta |
Title of publication | Transition metal dicarbollide complexes: synthesis, molecular, crystal and electronic structures of [M(C2B9H11)(NMe2)3] (M = Nb or Ta) and their insertion reactions with CO2 and CS2 † |
Authors of publication | Batsanov, Andrei S.; Churakov, Andrei V.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Kingsley, Andrew J.; Neretin, Ivan S.; Wade, Ken |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 21 |
Pages of publication | 3867 |
a | 12.297 ± 0.002 Å |
b | 17.424 ± 0.003 Å |
c | 13.308 ± 0.003 Å |
α | 90° |
β | 111.34 ± 0.05° |
γ | 90° |
Cell volume | 2655.9 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0512 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for all reflections | 0.0978 |
Weighted residual factors for significantly intense reflections | 0.0858 |
Goodness-of-fit parameter for all reflections | 1.119 |
Goodness-of-fit parameter for significantly intense reflections | 1.142 |
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/7027631.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.