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Information card for entry 4326223
Preview
Coordinates | 4326223.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H54 Cl2 N18 Ni5 O14 |
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Calculated formula | C56 H54 Cl2 N18 Ni5 O14 |
SMILES | c12cccc3C(=[N](O)[Ni]4([n]23)([N](=C1C)[O]1[Ni]23[n]5c(C(=[N]2O4)C)cccc5C(=[N]3O[Ni]21([OH]C)([O]1[N]3=C(c4cccc5C(C)=[N](O)[Ni]3([n]45)(N=C=NC#N)(O[N]3=C(c4[n]5c(C(=[N](O2)[Ni]135)C)ccc4)C)OC(=O)c1cc(ccc1)Cl)C)[OH]C)C)(N=C=NC#N)OC(=O)c1cc(ccc1)Cl)C |
Title of publication | Ni5, Ni8, and Ni10 Clusters with 2,6-Diacetylpyridine-dioxime as a Ligand |
Authors of publication | Albert Escuer; Jordi Esteban; Olivier Roubeau |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8893 - 8901 |
a | 16.98 ± 0.004 Å |
b | 11.613 ± 0.003 Å |
c | 17.846 ± 0.004 Å |
α | 90° |
β | 118.23 ± 0.03° |
γ | 90° |
Cell volume | 3100.5 ± 1.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.1113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.7383 Å |
Diffraction radiation type | synchrotron |
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/4326223.html
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Users of the data should acknowledge the original authors of the
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