Information card for entry 7047250

Structure parameters

• Formula: C56 H50 B2 Co F8 N6 O6
• Calculated formula: C56 H50 B2 Co F8 N6 O6
• 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: 8.923 ± 0.0006 Å
• b: 14.225 ± 0.0008 Å
• c: 20.5165 ± 0.0011 Å
• α: 82.411 ± 0.004°
• β: 79.044 ± 0.005°
• γ: 87.21 ± 0.005°
• Cell volume: 2533.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0841
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No