Information card for entry 7126999

Structure parameters

• Formula: C32 H28 O12 Zr
• Calculated formula: C32 H28 O12 Zr
• Title of publication: Isolated zirconium centres captured from aqueous solution: the structure of zirconium mandelate revealed from NMR crystallography.
• Authors of publication: Crosland, James M.; Corlett, Emily K.; Scapens, Dave; Guillou, Nathalie; Brown, Steven P.; Walton, Richard I.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 70
• Pages of publication: 10159 - 10162
• a: 17.0775 ± 0.0007 Å
• b: 5.63423 ± 0.0001 Å
• c: 16.986 ± 0.0004 Å
• α: 90°
• β: 114.885 ± 0.003°
• γ: 90°
• Cell volume: 1482.62 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor R(I) for significantly intense reflections: 0.017
• Goodness-of-fit parameter for all reflections: 16.95
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.82445 Å
• Diffraction radiation type: X-raysynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No