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Information card for entry 4030935
Preview
| Coordinates | 4030935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H34 N4 Ni O14 S2 |
|---|---|
| Calculated formula | C24 H34 N4 Ni O14 S2 |
| Title of publication | Tetraaquabis(pyridine)metal(II) saccharinate tetrahydrate, [M(H~2~O)~4~(py)~2~](sac)~2~ · 4H~2~O ; M = Co, Ni. Crystal structure determination |
| Authors of publication | Jovanovski, G.; Naumov, P.; Grupče, O.; Kaitner, B. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1998 |
| Journal volume | 35 |
| Journal issue | 8-9 |
| Pages of publication | 579 - 590 |
| a | 8.555 ± 0.0009 Å |
| b | 9.001 ± 0.001 Å |
| c | 12.123 ± 0.001 Å |
| α | 76.704 ± 0.007° |
| β | 84.499 ± 0.007° |
| γ | 62.993 ± 0.008° |
| Cell volume | 809.38 ± 0.15 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4030935.cif |
| 182190 | 2016-04-18 | cif/4/03/ (antanas@kurmis) Updating bibliography for entries 4030925-4030926, 4030934-4030941. |
4030935.cif |
| 178488 | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/09. |
4030935.cif |
| 135137 | 2015-04-08 | cif/ Adding structures of 4030935 via cif-deposit CGI script. |
4030935.cif |
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Users of the data should acknowledge the original authors of the
structural data.