Information card for entry 4347523

Structure parameters

• Formula: C121 H83 B4 Br4 N13 O34 S2 Zn8
• Calculated formula: C121 H83 B4 Br4 N13 O34 S2 Zn8
• 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: 40.845 ± 0.005 Å
• b: 42.367 ± 0.005 Å
• c: 34.547 ± 0.009 Å
• α: 90°
• β: 115.816 ± 0.011°
• γ: 90°
• Cell volume: 53816 ± 17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1701
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.3391
• Weighted residual factors for all reflections included in the refinement: 0.3958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.48
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No