Information card for entry 7000498

Structure parameters

• Common name: Conmpound 7
• Formula: C60 H81 Cl2 Cr Li N5 O4
• Calculated formula: C60 H81 Cl2 Cr Li N5 O4
• 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: 13.7888 ± 0.0003 Å
• b: 20.6256 ± 0.0004 Å
• c: 21.5347 ± 0.0004 Å
• α: 93.354 ± 0.002°
• β: 100.909 ± 0.002°
• γ: 96.853 ± 0.002°
• Cell volume: 5950.2 ± 0.2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: B -1
• Hall space group symbol: -P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No