Information card for entry 7033545

Structure parameters

• Formula: C33 H32 B2 Co F8 N6 O4
• Calculated formula: C33 H32 B2 Co F8 N6 O4
• Title of publication: Spin-crossover behaviors in solvated cobalt(ii) compounds.
• Authors of publication: Hayami, Shinya; Nakaya, Manabu; Ohmagari, Hitomi; Alao, Amolegbe Saliu; Nakamura, Masaaki; Ohtani, Ryo; Yamaguchi, Ryotaro; Kuroda-Sowa, Takayoshi; Clegg, Jack K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9345 - 9348
• a: 8.8542 ± 0.0004 Å
• b: 12.5098 ± 0.0007 Å
• c: 15.4307 ± 0.0007 Å
• α: 88.642 ± 0.001°
• β: 89.49 ± 0.001°
• γ: 84.725 ± 0.001°
• Cell volume: 1701.41 ± 0.14 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No