Information card for entry 7052474

Structure parameters

• Formula: C156 H187 Mo2 N9 O10
• Calculated formula: C156 H185.5 Mo2 N9 O10
• Title of publication: A novel ligand family based on bulky metallocalix[4 and 8]arene substituents
• 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 - 19
• a: 23.3956 ± 0.0017 Å
• b: 31.216 ± 0.002 Å
• c: 21.2594 ± 0.0015 Å
• α: 90°
• β: 107.908 ± 0.002°
• γ: 90°
• Cell volume: 14773.9 ± 1.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.6878 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No