Information card for entry 7000499

Structure parameters

• Common name: Compound 8
• Formula: C96 H119 Cr2 N3 O8
• Calculated formula: C96 H119 Cr2 N3 O8
• Title of publication: New structural motifs in chromium(iii) calix[4 and 6]arene chemistry
• Authors of publication: Redshaw, Carl; Homden, Damien; Hughes, David L.; Wright, Joseph A.; Elsegood, Mark R. J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1231 - 1242
• a: 12.7763 ± 0.0009 Å
• b: 17.4322 ± 0.0012 Å
• c: 19.7593 ± 0.0014 Å
• α: 90°
• β: 90.4736 ± 0.0009°
• γ: 90°
• Cell volume: 4400.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1908
• Residual factor for significantly intense reflections: 0.1662
• Weighted residual factors for significantly intense reflections: 0.4422
• Weighted residual factors for all reflections included in the refinement: 0.4653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No