Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7045548
Preview
Coordinates | 7045548.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H36 Cr2 N8 Nb2 O22 |
---|---|
Calculated formula | C56 H36 Cr2 N8 Nb2 O22 |
SMILES | c1ccc2ccc3ccc[n]4c3c2[n]1[Cr]124(O[Nb]34(O[Cr]56([n]7cccc8ccc9ccc[n]5c9c78)([n]5cccc7ccc8ccc[n]6c8c57)O[Nb]56(O2)(OC(=O)C(=O)O5)OC(=O)C(=O)O6)(OC(=O)C(=O)O3)OC(=O)C(=O)O4)[n]2cccc3ccc4ccc[n]1c4c23.O.O |
Title of publication | From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [Cr<sup>III</sup>Nb<sup>V</sup>] complexes. |
Authors of publication | Jurić, Marijana; Androš Dubraja, Lidija; Popović, Jasminka; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 12 |
Pages of publication | 4183 - 4190 |
a | 14.77 ± 0.005 Å |
b | 14.77 ± 0.005 Å |
c | 12.583 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 2745 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 94 |
Hermann-Mauguin space group symbol | P 42 21 2 |
Hall space group symbol | P 4n 2n |
Residual factor for all reflections | 0.0945 |
Residual factor for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections included in the refinement | 0.1891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 1.54179 Å |
Diffraction radiation type | CuKα |
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/7045548.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.