Information card for entry 7119180

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: 12.6111 ± 0.0005 Å
• b: 12.6111 ± 0.0005 Å
• c: 30.2999 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4818.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 1 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: 0.1068
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections: 0.2688
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No