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Information card for entry 7125996
Preview
| Coordinates | 7125996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H50 Cl6 Co N4 Ni S2 |
|---|---|
| Calculated formula | C46 H50 Cl6 Co N4 Ni S2 |
| SMILES | [Ni]123N(c4c(S1)ccc(Cl)c4)[C@H](c1ncccc1)[C@H](N3c1c(S2)ccc(Cl)c1)c1ncccc1.[Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.ClCCl.ClCCl.[Ni]123N(c4c(S1)ccc(Cl)c4)[C@@H](c1ncccc1)[C@@H](N3c1c(S2)ccc(Cl)c1)c1ncccc1.[Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.ClCCl.ClCCl |
| Title of publication | Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands. |
| Authors of publication | Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 19 |
| Pages of publication | 2829 - 2832 |
| a | 10.1761 ± 0.0003 Å |
| b | 12.4123 ± 0.0004 Å |
| c | 19.1814 ± 0.0005 Å |
| α | 96.674 ± 0.002° |
| β | 91.868 ± 0.002° |
| γ | 96.713 ± 0.003° |
| Cell volume | 2387.24 ± 0.12 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250177 (current) | 2020-04-05 | cif/ Updating files of 7125991, 7125992, 7125993, 7125994, 7125995, 7125996, 7125997 Original log message: Adding full bibliography for 7125991--7125997.cif. |
7125996.cif |
| 248106 | 2020-02-13 | cif/ Adding structures of 7125991, 7125992, 7125993, 7125994, 7125995, 7125996, 7125997 via cif-deposit CGI script. |
7125996.cif |
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Users of the data should acknowledge the original authors of the
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