Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040187
Preview
Coordinates | 7040187.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H60 Cl4 N4 Na4 Ni2 O18 |
---|---|
Calculated formula | C76 H56 Cl4 N4 Na4 Ni2 O18 |
SMILES | [Na+].O1C(=O)c2c(ccc(Cl)c2)[N]2=Cc3c(ccc4c3cccc4)O[Ni]3421Oc1ccc2ccccc2c1C=[N]3c1ccc(Cl)cc1C(=O)O4.O.OC.CO.[Na+] |
Title of publication | Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid. |
Authors of publication | Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 25 |
Pages of publication | 10256 - 10270 |
a | 7.5505 ± 0.0016 Å |
b | 18.877 ± 0.004 Å |
c | 26.086 ± 0.006 Å |
α | 79.415 ± 0.011° |
β | 86.09 ± 0.01° |
γ | 89.411 ± 0.01° |
Cell volume | 3646.3 ± 1.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0715 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1179 |
Weighted residual factors for all reflections included in the refinement | 0.1221 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.222 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040187.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.