Information card for entry 7033397

Structure parameters

• Common name: Co3-BPh4
• Formula: C100 H92 B2 Co3 N8 O8
• Calculated formula: C100 H88 B2 Co3 N8 O8
• Title of publication: Linear trinuclear cobalt(ii) single molecule magnet.
• Authors of publication: Zhang, Yuan-Zhu; Brown, Andrew J.; Meng, Yin-Shan; Sun, Hao-Ling; Gao, Song
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2865 - 2870
• a: 11.5855 ± 0.0005 Å
• b: 14.4488 ± 0.0006 Å
• c: 15.1235 ± 0.0008 Å
• α: 72.292 ± 0.002°
• β: 67.952 ± 0.002°
• γ: 69.59 ± 0.002°
• Cell volume: 2154.99 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1626
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No