Information card for entry 4115139

Structure parameters

• Common name: [Me4C2Cp2CrCO][HB(C6F5)3]
• Formula: C35 H21 B Cr F15 O
• Calculated formula: C35 H21 B Cr F15 O
• Title of publication: Zwitterionic Ring-Borylatedansa-Chromocene Complexes
• Authors of publication: Piet-Jan Sinnema; Pamela J. Shapiro; David Min Jin Foo; Brendan Twamley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10996 - 10997
• a: 10.0591 ± 0.0008 Å
• b: 11.8948 ± 0.0009 Å
• c: 14.9672 ± 0.0012 Å
• α: 112.01 ± 0.01°
• β: 90.94 ± 0.02°
• γ: 105.35 ± 0.02°
• Cell volume: 1587.6 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No