Information card for entry 7709604

Structure parameters

• Formula: C57 H54.5 Co4 N9.5 O16
• Calculated formula: C57 H54.5 Co4 N9.5 O16
• Title of publication: A tetraCo(II/III) complex with an open cubane Co4O4 core and square-pyramidal Co(II) and octahedral Co(III) centres: bifunctional electrocatalytic activity towards water splitting at neutral pH
• Authors of publication: Srivastava, Ankit Kumar; Mondal, Arpan; Konar, Sanjit; Pal, Samudranil
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.5982 ± 0.0006 Å
• b: 23.6769 ± 0.001 Å
• c: 17.7661 ± 0.0008 Å
• α: 90°
• β: 101.349 ± 0.002°
• γ: 90°
• Cell volume: 6020.6 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No