Information card for entry 4350237

Structure parameters

• Formula: C34.5 H24 Co2 N10 O2.5 S4
• Calculated formula: C34.5 H20 Co2 N10 O2.5 S4
• Title of publication: Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.
• Authors of publication: Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4413 - 4422
• a: 11.929 ± 0.0003 Å
• b: 19.273 ± 0.0005 Å
• c: 18.402 ± 0.0006 Å
• α: 90°
• β: 114.797 ± 0.001°
• γ: 90°
• Cell volume: 3840.68 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No