Information card for entry 4350235

Structure parameters

• Formula: C30 H24 B2 Co F8 N6 O3
• Calculated formula: C30 H20 B2 Co F8 N6 O3
• SMILES: [Co]1234([n]5c(c6[n]2cccc6)cc(O)cc5c2[n]1cccc2)[n]1c(c2[n]4cccc2)cc(O)cc1c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O
• 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: 8.6953 ± 0.0006 Å
• b: 9.3235 ± 0.001 Å
• c: 20.24 ± 0.002 Å
• α: 78.63 ± 0.09°
• β: 78.282 ± 0.007°
• γ: 87.78 ± 0.007°
• Cell volume: 1575.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2151
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No