Information card for entry 4085156

Structure parameters

• Formula: C32 H56 Cr N2 Si2
• Calculated formula: C32 H56 Cr N2 Si2
• SMILES: [Cr]12345678([CH]([Si](N(C)C)(C)C)=[CH]1C2[C]13=[CH]4C[C@H]2C[C@@H]1C2(C)C)[CH]([Si](N(C)C)(C)C)=[CH]5C6[C]17=[CH]8C[C@H]2C[C@@H]1C2(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: 12.8435 ± 0.0004 Å
• b: 11.481 ± 0.0004 Å
• c: 22.2751 ± 0.0007 Å
• α: 90°
• β: 93.43 ± 0.003°
• γ: 90°
• Cell volume: 3278.72 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No