Information card for entry 7010295

Structure parameters

• Formula: C21 H21 Cr F12 P2
• Calculated formula: C21 H21 Cr F12 P2
• Title of publication: Synthesis, redox chemistry and EPR spectroscopy of the mixed-sandwich complexes (η-arene)(η-cycloheptatrienyl)metal(z+) (M = Cr or Mo; z = 1 or 2): crystal structures of the redox pair [Cr(η-C6H5Me)(η-C7H6C6H4Me-4)][PF6]n (n = 1 or 2)
• Authors of publication: Beddoes, Roy L.; Elwell, Mark S.; Mabbs, Frank E.; McInnes, Eric J. L.; Roberts, Andrew; Sarwar, M. Fahad; Whiteley, Mark W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4669
• a: 12.747 ± 0.005 Å
• b: 12.697 ± 0.004 Å
• c: 14.317 ± 0.005 Å
• α: 90°
• β: 93.22 ± 0.03°
• γ: 90°
• Cell volume: 2313.5 ± 1.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0426
• Goodness-of-fit parameter for all reflections: 2.322
• Goodness-of-fit parameter for significantly intense reflections: 2.593
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No