Information card for entry 7047251

Structure parameters

• Formula: C60.5 H48 B2 Co F8 N6 O2.5
• Calculated formula: C60.5 H48 B2 Co F8 N6 O2.5
• Title of publication: Abrupt spin transition in a modified-terpyridine cobalt(ii) complex with a highly-distorted [CoN₆] core.
• Authors of publication: Nakaya, Manabu; Ohtani, Ryo; Shin, Jong Won; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13809 - 13814
• a: 21.7754 ± 0.0017 Å
• b: 12.0778 ± 0.0008 Å
• c: 20.9907 ± 0.0019 Å
• α: 90°
• β: 110.132 ± 0.009°
• γ: 90°
• Cell volume: 5183.2 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0788
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No