Information card for entry 7047869

Structure parameters

• Formula: C28 H36 Br2 Co N4
• Calculated formula: C28 H36 Br2 Co N4
• Title of publication: A mononuclear five-coordinate Co(ii) single molecule magnet with a spin crossover between the S = 1/2 and 3/2 states.
• Authors of publication: Chen, Lei; Song, Jingbo; Zhao, Wen; Yi, Gangji; Zhou, Zhikuan; Yuan, Aihua; Song, You; Wang, Zhenxing; Ouyang, Zhong-Wen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16596 - 16602
• a: 14.5641 ± 0.0013 Å
• b: 13.2078 ± 0.0012 Å
• c: 14.5859 ± 0.0013 Å
• α: 90°
• β: 90.854 ± 0.001°
• γ: 90°
• Cell volume: 2805.4 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No