Information card for entry 2004261

Structure parameters

• Chemical name: [2(E)-3-dibenzylamino-1-ethoxy-6,6-dimethylhept-2-ene-4-in-ylidene]
• Formula: C30 H29 Cr N O6
• Calculated formula: C30 H29 Cr N O6
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(/C=C(\C#CC(C)(C)C)N(Cc1ccccc1)Cc1ccccc1)OCC
• Title of publication: Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes
• Authors of publication: Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2503 - 2508
• a: 10.834 ± 0.002 Å
• b: 11.745 ± 0.002 Å
• c: 12.222 ± 0.002 Å
• α: 108.09 ± 0.02°
• β: 98.22 ± 0.02°
• γ: 100.11 ± 0.02°
• Cell volume: 1422.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.0825
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No