Information card for entry 4066036

Structure parameters

• Formula: C32 H38 Cr O5 Si
• Calculated formula: C32 H38 Cr O5 Si
• SMILES: c1(c(c(c(c2ccc(cc12)/C=C/[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Cr]23456(C#[O])(C#[O])C#[O])OC)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: 11.5676 ± 0.0004 Å
• b: 13.7999 ± 0.0004 Å
• c: 21.5818 ± 0.0007 Å
• α: 88.1781 ± 0.0016°
• β: 75.4222 ± 0.0016°
• γ: 67.0976 ± 0.0017°
• Cell volume: 3062.92 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No