Information card for entry 4066048

Structure parameters

• Formula: C36 H36 Cl2 Cr Mn N O9 Si
• Calculated formula: C36 H36 Cl2 Cr Mn N O9 Si
• SMILES: [Mn]1([n]2cccc3[c]45[c]6([Cr]7894([c]6([c]7([c]8(O[Si](C(C)(C)C)(C)C)[c]59c4cccc1c4c23)CC)CC)(C#[O])(C#[O])C#[O])OC)(C#[O])(C#[O])(C#[O])C#[O].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: 13.0742 ± 0.0002 Å
• b: 21.2949 ± 0.0004 Å
• c: 27.0004 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7517.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No