Information card for entry 4069158

Structure parameters

• Chemical name: Dicarbonyl(triphenylphosphane)[(eta-6-4b,5,6,7,8,8a)-1-tert-butyldimethyl- siloxy-2,3-diethyl-4-methoxyphenanthrene]chromium
• Formula: C45 H49 Cr O4 P Si
• Calculated formula: C45 H49 Cr O4 P Si
• SMILES: [Cr]12345(C#[O])(C#[O])([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]67ccc8c(c(c(c(OC)c8[c]57[cH]4[cH]3[cH]2[cH]16)CC)CC)O[Si](C)(C)C(C)(C)C
• Title of publication: P-Coligand Tuning of the Haptotropic Metal Migration in Phenanthrene Chromium Complexes
• Authors of publication: Joistgen, Oliver; Pfletschinger, Anja; Ciupka, Jan; Dolg, Michael; Nieger, Martin; Schnakenburg, Gregor; Fröhlich, Roland; Kataeva, Olga; Dötz, Karl Heinz
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3473
• a: 8.9334 ± 0.0003 Å
• b: 14.0088 ± 0.0005 Å
• c: 17.0355 ± 0.0008 Å
• α: 88.58 ± 0.002°
• β: 75.167 ± 0.002°
• γ: 73.085 ± 0.002°
• Cell volume: 1968.88 ± 0.14 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: 0.074
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No