Information card for entry 7716001

Structure parameters

• Formula: C120.3 H99.45 B2 Co N10.75 O1.05
• Calculated formula: C120.3 H99.45 B2 Co N10.75 O1.05
• 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: 15.9874 ± 0.0006 Å
• b: 18.4762 ± 0.0008 Å
• c: 19.2522 ± 0.0008 Å
• α: 98.646 ± 0.001°
• β: 112.536 ± 0.001°
• γ: 105.946 ± 0.001°
• Cell volume: 4836.7 ± 0.3 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: 0.0529
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No