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Information card for entry 7042920
Preview
| Coordinates | 7042920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C75 H102 N4 Ni4 O18 |
|---|---|
| Calculated formula | C75 H102 N4 Ni4 O18 |
| SMILES | C1[O]23[Ni]45([O]67[Ni]2([n]2c(C6)ccc(c2)c2ccc(cc2)C(C)(C)C)([O]26Cc8[n](cc(cc8)c8ccc(cc8)C(C)(C)C)[Ni]872([OH2])[O]25Cc5[n](cc(cc5)c5ccc(cc5)C(C)(C)C)[Ni]362(OC(=O)C)[O]=C(C)O8)([O]=C(O4)C)[OH]C)([n]2c1ccc(c2)c1ccc(cc1)C(C)(C)C)OC(=O)C.CO.CO.O.O |
| Title of publication | Cuboidal [Ni4O4] cluster as a precursor to recyclable, carbon-supported nickel nanoparticle reduction catalysts |
| Authors of publication | Yuan, Yan-Qiu; Yuan, Feng-Ling; Li, Fei-Long; Hao, Zhi-Min; Guo, Jun; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 12.3023 ± 0.0011 Å |
| b | 16.2603 ± 0.0014 Å |
| c | 22.3585 ± 0.0018 Å |
| α | 102.451 ± 0.002° |
| β | 100.521 ± 0.002° |
| γ | 109.527 ± 0.002° |
| Cell volume | 3955.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7042920.cif |
| 206958 | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7042920.cif |
| 196568 | 2017-05-09 | cif/ Adding structures of 7042918, 7042919, 7042920, 7042921 via cif-deposit CGI script. |
7042920.cif |
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