Information card for entry 7250376

Structure parameters

• Common name: 2-fur-Zn7.3H2O
• Chemical name: 2-fur-Zn7
• Formula: C65 H88 N8 O29 Zn7
• Calculated formula: C60 H78 N8 O24 Zn7
• Title of publication: Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state
• Authors of publication: Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 3823 - 3832
• a: 14.064 ± 0.002 Å
• b: 14.064 ± 0.002 Å
• c: 23.056 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3949.4 ± 1.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No