Information card for entry 7000496

Structure parameters

• Common name: Compound 5
• Formula: C100 H124 Cr2 N6 O8
• Calculated formula: C100 H118 Cr2 N6 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: 12.3898 ± 0.0014 Å
• b: 12.7624 ± 0.0014 Å
• c: 16.6603 ± 0.0018 Å
• α: 71.368 ± 0.003°
• β: 85.835 ± 0.003°
• γ: 64.781 ± 0.002°
• Cell volume: 2252.2 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No