Information card for entry 4085155

Structure parameters

• Formula: C34 H60 Cr N2 Si2
• Calculated formula: C34 H60 Cr N2 Si2
• SMILES: [Cr]12345678([CH]([Si](N(C)C)(C)C)=[C]1(C2[C]13=[CH]4C[C@H]2C[C@@H]1C2(C)C)C)[CH]([Si](N(C)C)(C)C)=[C]5(C6[C]17=[CH]8C[C@H]2C[C@@H]1C2(C)C)C
• Title of publication: Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal
• Authors of publication: Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 146
• a: 11.1701 ± 0.0003 Å
• b: 11.1701 ± 0.0003 Å
• c: 47.1697 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5096.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No