Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2006895
Preview
Coordinates | 2006895.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (Perchlorato-O)(1,4,7,11,13- pentaazacyclohexadecane-N,N',N'',N''',N'''') Nickel(II) Perchlorate |
---|---|
Formula | C11 H27 Cl2 N5 Ni O8 |
Calculated formula | C11 H27 Cl2 N5 Ni O8 |
SMILES | [Ni]1234([NH]5CC[NH]1CC[NH]2CCC[NH]3CC[NH]4CC5)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-] |
Title of publication | (1,4,7,11,13-Pentaazacyclohexadecane-κ^5^<i>N</i>)(perchlorato-κ<i>O</i>)nickel(II) Perchlorate |
Authors of publication | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 12 |
Pages of publication | 1778 - 1780 |
a | 8.665 ± 0.003 Å |
b | 16.681 ± 0.002 Å |
c | 13.673 ± 0.004 Å |
α | 90° |
β | 98.49 ± 0.03° |
γ | 90° |
Cell volume | 1954.7 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.088 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections | 0.157 |
Weighted residual factors for significantly intense reflections | 0.142 |
Goodness-of-fit parameter for all reflections | 0.848 |
Goodness-of-fit parameter for significantly intense reflections | 1.217 |
Diffraction radiation wavelength | 0.7093 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/2006895.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.