Information card for entry 4350239

Structure parameters

• Formula: C31 H26 B Co F7 N6 O3 Si0.5
• Calculated formula: C31 H20 B Co F7 N6 O3 Si0.5
• 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: 8.656 ± 0.0002 Å
• b: 9.043 ± 0.0002 Å
• c: 19.846 ± 0.0007 Å
• α: 84.561 ± 0.001°
• β: 87.567 ± 0.001°
• γ: 86.292 ± 0.001°
• Cell volume: 1542.21 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No