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Information card for entry 7116547
Preview
Coordinates | 7116547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C149 H144 Cl5 K3 Nb2 O4 |
---|---|
Calculated formula | C149 H144 Cl5 K3 Nb2 O4 |
SMILES | [Nb]1234([Cl][K][Cl]1[Nb]156([Cl][K]([O]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)[O]6c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)[Cl]2[K]([Cl]35)[O]4c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)Oc1c(C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)cc1C(c1ccccc1)c1ccccc1.CCCCC |
Title of publication | Niobium-nitrides derived from nitrogen splitting |
Authors of publication | Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 3526 |
a | 16.7009 ± 0.0014 Å |
b | 17.9962 ± 0.0015 Å |
c | 24.535 ± 0.002 Å |
α | 92.288 ± 0.004° |
β | 100.453 ± 0.004° |
γ | 114.629 ± 0.004° |
Cell volume | 6536.7 ± 1 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0589 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1168 |
Weighted residual factors for all reflections included in the refinement | 0.1301 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/7116547.html
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Users of the data should acknowledge the original authors of the
structural data.