Information card for entry 4066038

Structure parameters

• Formula: C32 H40 Cr N2 O5 Si
• Calculated formula: C32 H40 Cr N2 O5 Si
• SMILES: [c]12([c]3([c]4([c]5([c]67ccc(c[c]16[Cr]23457(C#[O])(C#[O])C#[O])N=Nc1ccc(cc1)C)OCC)CC)CC)O[Si](C(C)(C)C)(C)C
• Title of publication: Hydroquinoid Chromium Complexes Bearing an Acyclic Conjugated Bridge: Chromium-Templated Synthesis, Molecular Structure, and Haptotropic Metal Migration
• Authors of publication: Hegele, Peter; Santhamma, Bindu; Schnakenburg, Gregor; Fröhlich, Roland; Kataeva, Olga; Nieger, Martin; Kotsis, Konstantinos; Neese, Frank; Dötz, Karl Heinz
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6172
• a: 9.308 ± 0.0006 Å
• b: 9.9851 ± 0.0006 Å
• c: 18.7963 ± 0.0014 Å
• α: 91.533 ± 0.005°
• β: 92.188 ± 0.006°
• γ: 111.237 ± 0.005°
• Cell volume: 1625.6 ± 0.2 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: 0.0605
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No