Information card for entry 4347518

Structure parameters

• Formula: C324 H340 B12 N41 O84 Zn20
• Calculated formula: C324 H340 B12 N41 O84 Zn20
• 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: 35.8409 ± 0.0002 Å
• b: 42.7516 ± 0.0002 Å
• c: 50.813 ± 0.0005 Å
• α: 90°
• β: 91.528 ± 0.001°
• γ: 90°
• Cell volume: 77830.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.1118
• Weighted residual factors for significantly intense reflections: 0.4136
• Weighted residual factors for all reflections included in the refinement: 0.4229
• Goodness-of-fit parameter for all reflections included in the refinement: 2.002
• Diffraction radiation wavelength: 0.69633 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No