Information card for entry 7234344

Structure parameters

• Common name: [Co(DODT)2(NCS)2]
• Formula: C92 H152 Co N18 S2
• Calculated formula: C92 H149 Co 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: 15.933 ± 0.003 Å
• b: 24.42 ± 0.005 Å
• c: 28.254 ± 0.006 Å
• α: 112.77 ± 0.03°
• β: 101.58 ± 0.03°
• γ: 96.26 ± 0.03°
• Cell volume: 9716 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1828
• Residual factor for significantly intense reflections: 0.1304
• Weighted residual factors for significantly intense reflections: 0.3565
• Weighted residual factors for all reflections included in the refinement: 0.3986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No