Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517701
Preview
Coordinates | 1517701.cif |
---|
Formula | C54 H56 Cr2 N16 Ni O4 |
---|---|
Calculated formula | C54 H56 Cr2 N16 Ni O4 |
SMILES | [Ni]123([N]#C[Cr]456([n]7ccccc7C(=O)N4c4cc(C)c(C)cc4N5C(=O)c4[n]6cccc4)C#N)([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)[N]#C[Cr]123([n]4ccccc4C(=O)N1c1cc(C)c(C)cc1N2C(=O)c1[n]3cccc1)C#N |
Title of publication | Syntheses, crystal structures, and magnetic properties of a series of cyanide-bridged trinuclear chromate(III)-nickel(II)-chromate(III) complexes based on dicyanidechromate(III) building blocks |
Authors of publication | Hui Chen; Bao-Xi Miao; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 404 |
Pages of publication | 34 - 39 |
a | 9.0535 ± 0.0018 Å |
b | 14.211 ± 0.003 Å |
c | 20.331 ± 0.004 Å |
α | 90° |
β | 90.37 ± 0.03° |
γ | 90° |
Cell volume | 2615.7 ± 0.9 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0488 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1362 |
Weighted residual factors for all reflections included in the refinement | 0.1406 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
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/1517701.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.