Information card for entry 4066045

Structure parameters

• Formula: C24 H10 Cr Mn N O10
• Calculated formula: C24 H10 Cr Mn N O10
• SMILES: c1ccc2c(cc3cccc4c3c2[n]1[Mn]4(C#[O])(C#[O])(C#[O])C#[O])C(=[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])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: 6.6603 ± 0.0001 Å
• b: 12.9097 ± 0.0002 Å
• c: 26.8855 ± 0.0005 Å
• α: 90°
• β: 96.4883 ± 0.0009°
• γ: 90°
• Cell volume: 2296.88 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0544
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No