Information card for entry 4066046

Structure parameters

• Formula: C35 H34 Cr Mn N O9 Si
• Calculated formula: C35 H34 Cr Mn N O9 Si
• SMILES: c1ccc2c3c(c(c(c(c3[c]34[cH]5[cH]6[cH]7[c]89[c]3(c2[n]1[Mn]9(C#[O])(C#[O])(C#[O])C#[O])[Cr]45678(C#[O])(C#[O])C#[O])O[Si](C)(C)C(C)(C)C)CC)CC)OC
• 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: 10.5612 ± 0.0003 Å
• b: 11.7284 ± 0.0004 Å
• c: 15.3659 ± 0.0006 Å
• α: 70.3134 ± 0.0016°
• β: 83.4606 ± 0.0018°
• γ: 77.2105 ± 0.0018°
• Cell volume: 1746 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No