Information card for entry 4066047

Structure parameters

• Formula: C32 H37 Cl2 Cr N O5 Si
• Calculated formula: C32 H37 Cl2 Cr N O5 Si
• SMILES: c1ccc2c3c(c(c(c(c3[c]34[c]5([cH]6[cH]7[cH]8[cH]3[Cr]45678(C#[O])(C#[O])C#[O])c2n1)O[Si](C)(C)C(C)(C)C)CC)CC)OC.C(Cl)Cl
• Title of publication: Dibenzo[f,h]quinoline Cr(CO)3Complexes: Synthesis by Chromium-Templated Benzannulation, Cyclomanganation, and Haptotropic Chromium Migration
• Authors of publication: Dubarle Offner, Julien; Schnakenburg, Gregor; Rose-Munch, Françoise; Rose, Eric; Dötz, Karl Heinz
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3308
• a: 8.9672 ± 0.0002 Å
• b: 37.3182 ± 0.0005 Å
• c: 10.41 ± 0.0002 Å
• α: 90°
• β: 110.588 ± 0.002°
• γ: 90°
• Cell volume: 3261.11 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No