Information card for entry 7113952

Structure parameters

• Common name: [(Co2(OH)2(DPFN))2(k2,k2-PO4)][NO3]5
• Formula: C62 H61 Co4 F4 N18 O30 P
• Calculated formula: C62 H53 Co4 F4 N18 O30.02 P
• Title of publication: A molecular structural analog of proposed dinuclear active sites in cobalt-based water oxidation catalysts
• Authors of publication: Timothy C. Davenport; Hyun S. Ahn; Micah S. Ziegler; T. Don Tilley
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6326
• a: 16.5997 ± 0.0017 Å
• b: 12.875 ± 0.0014 Å
• c: 18.2563 ± 0.0019 Å
• α: 90°
• β: 112.203 ± 0.002°
• γ: 90°
• Cell volume: 3612.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No