Information card for entry 4066043

Structure parameters

• Formula: C17 H7 Br Mn N O4
• Calculated formula: C17 H7 Br Mn N O4
• SMILES: c1ccc2c(cc3cccc4c3c2[n]1[Mn]4(C#[O])(C#[O])(C#[O])C#[O])Br
• 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: 6.4995 ± 0.0004 Å
• b: 10.8762 ± 0.0009 Å
• c: 11.2558 ± 0.0011 Å
• α: 92.791 ± 0.004°
• β: 104.229 ± 0.005°
• γ: 100.301 ± 0.005°
• Cell volume: 755.24 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No