Information card for entry 7014227

Structure parameters

• Formula: C80 H144 Cr8 N0 O40
• Calculated formula: C80 H144 Cr8 O40
• Title of publication: Structural, magnetic and DFT studies of a hydroxide-bridged [Cr8] wheel.
• Authors of publication: Christian, Paul; Rajaraman, Gopalan; Harrison, Andrew; McDouall, Joseph J. W.; Raftery, James T.; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1511 - 1512
• a: 25.081 ± 0.004 Å
• b: 17.012 ± 0.003 Å
• c: 30.995 ± 0.005 Å
• α: 90°
• β: 109.617 ± 0.003°
• γ: 90°
• Cell volume: 12457 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.2094
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.3261
• Weighted residual factors for all reflections included in the refinement: 0.3746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No