Information card for entry 7715151

Structure parameters

• Formula: C45.5 H40 Cl2 Co N6 O11.5
• Calculated formula: C45.5 H40 Cl2 Co N6 O11.5
• Title of publication: Solvation/desolvation induced reversible distortion change and switching between spin crossover and single molecular magnet behaviour in a cobalt(II) complex.
• Authors of publication: Zenno, Hikaru; Sekine, Yoshihiro; Zhang, Zhongyue; Hayami, Shinya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5861 - 5870
• a: 18.8486 ± 0.0009 Å
• b: 15.2034 ± 0.0007 Å
• c: 16.2749 ± 0.0008 Å
• α: 90°
• β: 104.515 ± 0.005°
• γ: 90°
• Cell volume: 4514.9 ± 0.4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• 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: 0.1218
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No