Information card for entry 7000492

Structure parameters

• Common name: Compound 1
• Formula: C108.5 H138.75 Cl2 Cr2 Li4 N6.25 O11
• Calculated formula: C108.5 H135 Cl2 Cr2 Li4 N6.25 O11
• 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: 11.8446 ± 0.0007 Å
• b: 36.77 ± 0.002 Å
• c: 24.656 ± 0.0014 Å
• α: 90°
• β: 99.6211 ± 0.0011°
• γ: 90°
• Cell volume: 10587.3 ± 1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• 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: 0.1251
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2674
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No