Information card for entry 7716003

Structure parameters

• Formula: C92 H80 Co2 F24 N16 P4
• Calculated formula: C92 H80 Co2 F24 N16 P4
• Title of publication: Spin-crossover cobalt(II) complexes exhibiting temperature- and concentration-dependent optical changes in solution.
• Authors of publication: Izumiyama, Naoki; Fujii, Shun; Kato, Kiichi; Tokunaga, Ryuya; Hayami, Shinya; Nakaya, Manabu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9547 - 9553
• a: 15.346 ± 0.002 Å
• b: 16.02 ± 0.002 Å
• c: 18.525 ± 0.003 Å
• α: 75.417 ± 0.005°
• β: 89.684 ± 0.005°
• γ: 88.213 ± 0.006°
• Cell volume: 4405.4 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1787
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.2858
• Weighted residual factors for all reflections included in the refinement: 0.3185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No