Information card for entry 4084094

Structure parameters

• Formula: C54 H68 Cr4 N4 O4.5
• Calculated formula: C54 H68 Cr4 N4 O4.5
• Title of publication: Organometallic Oxides: Oxidation of the Cubane [(η-C5R5)Cr(μ3-O)]4and the Structures and Magnetic Properties of the Salts {[(η-C5R5)Cr(μ3-O)]4}{tcnq} and {[(η-C5R5)Cr(μ3-O)]4}{BF4}
• Authors of publication: Allen, Daryl P.; Bottomley, Frank; Day, Robert W.; Decken, Andreas; Sanchez, Victor; Summers, David A.; Thompson, Robert C.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1840
• a: 11.179 ± 0.003 Å
• b: 12.252 ± 0.002 Å
• c: 20.061 ± 0.006 Å
• α: 100.94 ± 0.02°
• β: 90.9 ± 0.02°
• γ: 104.88 ± 0.02°
• Cell volume: 2601.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2437
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.227
• Weighted residual factors for significantly intense reflections: 0.1379
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No