Information card for entry 4350236

Structure parameters

• Formula: C33 H36 Co F6 N6 O6 Si
• Calculated formula: C33 H20 Co F6 N6 O6 Si
• SMILES: [Co]1234([n]5c(c6[n]4cccc6)cc(O)cc5c4[n]1cccc4)[n]1c(cc(cc1c1[n]3cccc1)O)c1[n]2cccc1.[Si](F)(F)(F)(F)([F-])[F-].O.OC.OC.CO
• 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: 8.777 ± 0.0002 Å
• b: 22.179 ± 0.0004 Å
• c: 18.497 ± 0.0004 Å
• α: 90°
• β: 91.848 ± 0.001°
• γ: 90°
• Cell volume: 3598.85 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.146
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No