Information card for entry 7102399

Structure parameters

• Common name: Me4C2Cp2(BARF)Cr(CN)CNdimep
• Formula: C53 H37 B Cr F15 N2
• Calculated formula: C53 H37 B Cr F15 N2
• Title of publication: Isolation and structural characterization of the first thermally robust and air stable Cr(4+) bent-metallocene complex.
• Authors of publication: Sinnema, Piet-Jan; Nairn, Justin; Zehnder, Ralph; Shapiro, Pamela J; Twamley, Brendan; Blumenfeld, Alex
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 1
• Pages of publication: 110 - 111
• a: 13.975 ± 0.003 Å
• b: 19.331 ± 0.004 Å
• c: 16.878 ± 0.003 Å
• α: 90°
• β: 90.3 ± 0.03°
• γ: 90°
• Cell volume: 4559.6 ± 1.6 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 6
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No