Information card for entry 7000494

Structure parameters

• Common name: Compound 3
• Formula: C248 H362 Cr4 K6 O40
• Calculated formula: C228 H312 Cr4 K6 O35
• 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: 16.9918 ± 0.0018 Å
• b: 17.4045 ± 0.0019 Å
• c: 22.146 ± 0.002 Å
• α: 105.255 ± 0.003°
• β: 96.182 ± 0.003°
• γ: 105.001 ± 0.002°
• Cell volume: 5993.6 ± 1.1 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: 0.1748
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.324
• Weighted residual factors for all reflections included in the refinement: 0.347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.6875 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No