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Information card for entry 4338271
Preview
| Coordinates | 4338271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 N8 Ni O2 |
|---|---|
| Calculated formula | C24 H18 N8 Ni O2 |
| SMILES | c1cccc2C=[N]3N=C(c4ccncc4)O[Ni]453([n]12)[n]1ccccc1C=[N]4N=C(c1ccncc1)O5 |
| Title of publication | Redox-Active Porous Coordination Polymers Prepared by Trinuclear Heterometallic Pivalate Linking with the Redox-Active Nickel(II) Complex: Synthesis, Structure, Magnetic and Redox Properties, and Electrocatalytic Activity in Organic Compound Dehalogenation in Heterogeneous Medium. |
| Authors of publication | Lytvynenko, A. S.; Kolotilov, S. V.; Kiskin, M. A.; Cador, O.; Golhen, S.; Aleksandrov, G. G.; Mishura, A. M.; Titov, V. E.; Ouahab, L.; Eremenko, I. L.; Novotortsev, V. M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 4970 - 4979 |
| a | 8.2395 ± 0.0002 Å |
| b | 20.3085 ± 0.0009 Å |
| c | 13.6924 ± 0.0005 Å |
| α | 90° |
| β | 102.441 ± 0.002° |
| γ | 90° |
| Cell volume | 2237.37 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0963 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338271.cif |
| 179485 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82. |
4338271.cif |
| 115700 | 2014-06-05 | cif/ Updating files of 4338270, 4338271 Original log message: Adding full bibliography for 4338270--4338271.cif. |
4338271.cif |
| 112335 | 2014-05-01 | cif/ Adding structures of 4338271 via cif-deposit CGI script. |
4338271.cif |
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