Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088905
Preview
Coordinates | 4088905.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H20 Mn |
---|---|
Calculated formula | C15 H20 Mn |
SMILES | [Mn]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Synthesis and Physical Properties of Pentamethylmanganocene, (C5Me5)Mn(C5H5), and the Inclusion Compounds [(C5Me5)2Yb]2[(C5H5)2M] (Where M = V, Cr, Fe, Co) |
Authors of publication | Walter, Marc D.; Burns, Carol J.; Matsunaga, Phillip T.; Smith, Michael E.; Andersen, Richard A. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 20 |
Pages of publication | 3488 |
a | 7.865 ± 0.002 Å |
b | 8.2036 ± 0.0015 Å |
c | 12.163 ± 0.002 Å |
α | 101.645 ± 0.015° |
β | 96.985 ± 0.018° |
γ | 118.493 ± 0.018° |
Cell volume | 653.5 ± 0.3 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0371 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.0912 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/4088905.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.