Information card for entry 4350240

Structure parameters

• Formula: C30 H24 B2 Co F8 N6 O3
• Calculated formula: C30 H20 B2 Co F8 N6 O3
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(c5)O)c1cccc[n]21)[n]1ccccc1c1[n]3c(cc(O)c1)c1cccc[n]41.O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 8.809 ± 0.0003 Å
• b: 9.051 ± 0.0004 Å
• c: 20.086 ± 0.0009 Å
• α: 90°
• β: 99.006 ± 0.0016°
• γ: 90°
• Cell volume: 1581.72 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No