Information card for entry 7201289

Structure parameters

• Formula: C44 H38 Co4 N12 O21
• Calculated formula: C44 H36 Co4 N12 O21
• Title of publication: Transforming the cube: a tetranuclear cobalt(II) cubane cluster and its transformation to a dimer of dimers
• Authors of publication: Katsenis, Athanassios D.; Inglis, Ross; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Brechin, Euan K.; Papaefstathiou, Giannis S.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2117
• a: 20.4504 ± 0.0018 Å
• b: 12.7826 ± 0.0011 Å
• c: 20.0563 ± 0.0017 Å
• α: 90°
• β: 105.455 ± 0.002°
• γ: 90°
• Cell volume: 5053.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No