Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7101120
Preview
Coordinates | 7101120.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H72 K2 N4 Ni O12 Pb10 |
---|---|
Calculated formula | C36 H72 K2 N4 Ni O12 Pb10 |
SMILES | [Ni]123456789[Pb]%10%11%12[Pb]%13%141[Pb]1%152%10[Pb]2%107%12[Pb]7%124[Pb]4%163[Pb]6%13([Pb]5%1127)[Pb]8%1414[Pb]9%15%10%12%16.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]18CC[O]1CC[O](CC4)[K]1235678.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]18CC[O]1CC[O](CC4)[K]1235678 |
Title of publication | The closo-Pb102- Zintl Ion in the [Ni@Pb10]2- cluster |
Authors of publication | Bryan Eichhorn; James C. Fettinger; Emren Nalbant Esenturk |
Journal of publication | Chemical Communications |
Year of publication | 2005 |
Journal issue | 2 |
a | 24.843 ± 0.003 Å |
b | 11.9405 ± 0.0016 Å |
c | 21.403 ± 0.003 Å |
α | 90° |
β | 96.907 ± 0.002° |
γ | 90° |
Cell volume | 6302.7 ± 1.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0827 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1645 |
Weighted residual factors for all reflections included in the refinement | 0.1764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/7101120.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.