Information card for entry 7025293

Structure parameters

• Common name: [Zn7(OH)6(immp)6](NO3)2.3MeNO2
• Formula: C57 H66 N11 O30 Zn7
• Calculated formula: C57 H66 N11 O30 Zn7
• Title of publication: A family of double-bowl pseudo metallocalix[6]arene discs
• Authors of publication: Meally, Seán T.; McDonald, Cecelia; Karotsis, Georgios; Papaefstathiou, Giannis S.; Brechin, Euan K.; Dunne, Peter W.; McArdle, Patrick; Power, Nicholas P.; Jones, Leigh F.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4809
• a: 14.082 ± 0.002 Å
• b: 14.082 ± 0.002 Å
• c: 22.759 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3908.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0769
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No