Information card for entry 7119179

Structure parameters

• Chemical name: potassium cobalt (II) citrate, UTSA-16
• Formula: C12 H8 Co3 K O18
• Calculated formula: C12 H8 Co3 K O18
• Title of publication: A non-topological mechanism for negative linear compressibility
• Authors of publication: Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7486
• a: 12.8201 ± 0.0005 Å
• b: 12.8201 ± 0.0005 Å
• c: 30.2685 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4974.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 0.5 kPa
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections: 0.2657
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No