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Information card for entry 7234342
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Coordinates | 7234342.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [FeII(DHDT)2(NCS)2] |
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Formula | C76 H120 Fe N18 S2 |
Calculated formula | C76 H120 Fe N18 S2 |
Title of publication | 2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes |
Authors of publication | Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 7845 - 7857 |
a | 33.105 ± 0.007 Å |
b | 27.231 ± 0.005 Å |
c | 18.266 ± 0.004 Å |
α | 90° |
β | 105.29 ± 0.03° |
γ | 90° |
Cell volume | 15884 ± 6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1272 |
Residual factor for significantly intense reflections | 0.1201 |
Weighted residual factors for significantly intense reflections | 0.3258 |
Weighted residual factors for all reflections included in the refinement | 0.3291 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7234342.html
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