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Information card for entry 7219393
Preview
| Coordinates | 7219393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H34 N10 Ni2 O14 |
|---|---|
| Calculated formula | C44 H34 N10 Ni2 O14 |
| Title of publication | Crystal disassembly and reassembly of heterometallic NiII–TaVoxalate compounds |
| Authors of publication | Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2021 |
| a | 9.2921 ± 0.0003 Å |
| b | 12.8702 ± 0.0003 Å |
| c | 18.9812 ± 0.0005 Å |
| α | 84.66 ± 0.002° |
| β | 75.969 ± 0.002° |
| γ | 85.056 ± 0.002° |
| Cell volume | 2187.94 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219393.cif |
| 180524 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93. |
7219393.cif |
| 133241 | 2015-03-06 | cif/ Updating files of 7219391, 7219392, 7219393 Original log message: Adding full bibliography for 7219391--7219393.cif. |
7219393.cif |
| 130118 | 2015-01-27 | cif/ Adding structures of 7219391, 7219392, 7219393 via cif-deposit CGI script. |
7219393.cif |
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Users of the data should acknowledge the original authors of the
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