Information card for entry 8104875

Structure parameters

• Chemical name: Hexaaquacopper(II) dihydrogen pyromellitate
• Formula: C10 H16 Cu O14
• Calculated formula: C10 H16 Cu O14
• Title of publication: Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu
• Authors of publication: Oguntade, Bukunola K.; Hulushe, Siya T.; Hosten, Eric C.; Watkins, Gareth M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 37 - 38
• a: 7.2407 ± 0.0003 Å
• b: 9.7565 ± 0.0004 Å
• c: 21.1814 ± 0.001 Å
• α: 90°
• β: 93.913 ± 0.002°
• γ: 90°
• Cell volume: 1492.85 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No