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Information card for entry 4342007
Preview
| Coordinates | 4342007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H26 Ni O12 S2 |
|---|---|
| Calculated formula | C14 H26 Ni O12 S2 |
| SMILES | c1(S(=O)(=O)[O-])ccc(cc1)C.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1cc(S(=O)(=O)[O-])ccc1C |
| Title of publication | Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand. |
| Authors of publication | Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 2 |
| Pages of publication | 619 - 627 |
| a | 6.883 ± 0.0006 Å |
| b | 6.2815 ± 0.0005 Å |
| c | 24.85 ± 0.002 Å |
| α | 90° |
| β | 91.258 ± 0.009° |
| γ | 90° |
| Cell volume | 1074.14 ± 0.15 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0761 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342007.cif |
| 179523 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342007.cif |
| 130493 | 2015-02-04 | cif/ Updating files of 4342003, 4342004, 4342005, 4342006, 4342007 Original log message: Adding full bibliography for 4342003--4342007.cif. |
4342007.cif |
| 129153 | 2014-12-30 | cif/ Adding structures of 4342003, 4342004, 4342005, 4342006, 4342007 via cif-deposit CGI script. |
4342007.cif |
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