Information card for entry 4347519

Structure parameters

• Formula: C150 H141 B6 N18 O40 Zn10
• Calculated formula: C150 H141 B6 N18 O40 Zn10
• Title of publication: Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.
• Authors of publication: Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 4006 - 4015
• a: 27.75 ± 0.005 Å
• b: 27.75 ± 0.005 Å
• c: 27.75 ± 0.005 Å
• α: 70.755 ± 0.007°
• β: 70.755 ± 0.007°
• γ: 70.755 ± 0.007°
• Cell volume: 18453 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :R
• Hall space group symbol: -P 3* 2
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.3446
• Weighted residual factors for all reflections included in the refinement: 0.3878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No