Information card for entry 7050708

Structure parameters

• Formula: C128 H150 Mo2 N10 O8
• Calculated formula: C128 H148 Mo2 N10 O8
• Title of publication: A novel ligand family based on bulky metallocalix[4 and 8]arene substituentsFirst presented at the 221st ACS National Meeting, San Diego, 1‒5th April 2001.
• Authors of publication: Gibson, Vernon C.; Redshaw, Carl; Elsegood, Mark R. J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 16
• a: 16.7686 ± 0.0015 Å
• b: 16.7686 ± 0.0015 Å
• c: 34.515 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8404.9 ± 1.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No