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Information card for entry 4307310
Preview
| Coordinates | 4307310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H96 Co2 N24 Ni3 |
|---|---|
| Calculated formula | C108 H96 Co2 N24 Ni3 |
| SMILES | [Co]12(C#N)(C#N)(C#N)C#[N][Ni]34([N]#C[Co](C#N)(C#N)(C#N)(C#[N][Ni]56([N]#C1)([n]1cc(c(c7c1c1[n]5cc(c(c1cc7)C)C)C)C)[n]1cc(c(c5c1c1[n]6cc(c(c1cc5)C)C)C)C)C#[N][Ni]15([N]#C2)([n]2cc(c(c6c2c2[n]1cc(c(c2cc6)C)C)C)C)[n]1cc(c(c2c1c1[n]5cc(c(c1cc2)C)C)C)C)([n]1cc(c(c2c1c1[n]3cc(c(c1cc2)C)C)C)C)[n]1cc(c(c2c1c1[n]4cc(c(c1cc2)C)C)C)C |
| Title of publication | Systematic Investigation of Trigonal-Bipyramidal Cyanide-Bridged Clusters of the First-Row Transition Metals |
| Authors of publication | Mikhail Shatruk; Kristen E. Chambers; Andrey V. Prosvirin; Kim R. Dunbar |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 5155 - 5165 |
| a | 19.225 ± 0.002 Å |
| b | 25.009 ± 0.003 Å |
| c | 24.716 ± 0.003 Å |
| α | 90° |
| β | 98.031 ± 0.002° |
| γ | 90° |
| Cell volume | 11767 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1237 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179111 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/73. |
4307310.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307310.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307310.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307310.cif |
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Users of the data should acknowledge the original authors of the
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