Information card for entry 4336753

Structure parameters

• Common name: 2,2'-di-tert-butyl-10,10'-dichloro-4,4'-bis(Clips)-6,6'-biphenanthridine
• Formula: C46 H34 Cl6 N2
• Calculated formula: C46 H34 Cl6 N2
• Title of publication: Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives
• Authors of publication: Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13216 - 13229
• a: 14.9326 ± 0.0008 Å
• b: 20.1177 ± 0.0016 Å
• c: 14.8086 ± 0.001 Å
• α: 90°
• β: 117.189 ± 0.002°
• γ: 90°
• Cell volume: 3957.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes