Information card for entry 7000493

Structure parameters

• Common name: Compound 2
• Formula: C200 H246 Cr4 K2 N12 O16
• Calculated formula: C200 H244 Cr4 K2 N12 O16
• 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: 17.1144 ± 0.0015 Å
• b: 23.373 ± 0.002 Å
• c: 24.339 ± 0.002 Å
• α: 102.35 ± 0.0016°
• β: 98.4355 ± 0.0017°
• γ: 94.8829 ± 0.0017°
• Cell volume: 9339.1 ± 1.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.202
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No