Information card for entry 4080017

Structure parameters

• Formula: C26 H38 Cr
• Calculated formula: C26 H38 Cr
• SMILES: [Cr]12345678(C[C]1(=[CH]2[C]13=[CH]4C[C@H]2C[C@@H]1C2(C)C)C)C[C]5(=[CH]6[C]17=[CH]8C[C@H]2C[C@@H]1C2(C)C)C
• Title of publication: Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand
• Authors of publication: Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 874
• a: 12.0216 ± 0.0002 Å
• b: 14.8368 ± 0.0002 Å
• c: 24.5563 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4379.91 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No