Information card for entry 7111996

Structure parameters

• Common name: Co15(bisphenolate)6(carbonate3)
• Formula: C196.5 H284 Co15 N13 O61
• Calculated formula: C171.5 H231 Co15 N8 O56
• Title of publication: Discovering the pivotal role of carbonate in the formation of a bis-phenolate supported Co15 cluster
• Authors of publication: Ross McLellan; Julien Reze; Stephanie M. Taylor; Ruaraidh D. McIntosh; Euan K. Brechin; Scott J. Dalgarno
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2202
• a: 20.8311 ± 0.001 Å
• b: 22.9871 ± 0.0011 Å
• c: 29.1866 ± 0.0013 Å
• α: 85.462 ± 0.002°
• β: 71.615 ± 0.002°
• γ: 64.348 ± 0.002°
• Cell volume: 11928.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2377
• Weighted residual factors for all reflections included in the refinement: 0.2523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.481
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No