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Information card for entry 7032796
Preview
| Coordinates | 7032796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C126 H88 F30 N14 Ni2 O8 S8 |
|---|---|
| Calculated formula | C126 H88 F30 N14 Ni2 O8 S8 |
| Title of publication | Rational design of a room temperature molecular spin switch. The light-driven coordination induced spin state switch (LD-CISSS) approach. |
| Authors of publication | Dommaschk, M.; Schütt, C; Venkataramani, S.; Jana, U.; Näther, C; Sönnichsen, F D; Herges, R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 46 |
| Pages of publication | 17395 - 17405 |
| a | 14.3795 ± 0.0004 Å |
| b | 14.9693 ± 0.0005 Å |
| c | 16.9457 ± 0.0006 Å |
| α | 99.054 ± 0.003° |
| β | 97.777 ± 0.003° |
| γ | 117.019 ± 0.002° |
| Cell volume | 3119.1 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0676 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032796.cif |
| 180033 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27. |
7032796.cif |
| 126395 | 2014-11-06 | cif/ Updating files of 7032796 Original log message: Adding full bibliography for 7032796.cif. |
7032796.cif |
| 125312 | 2014-10-14 | cif/ Adding structures of 7032796 via cif-deposit CGI script. |
7032796.cif |
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