Information card for entry 4069156

Structure parameters

• Chemical name: Dicarbonyl(triphenylphosphane)[(eta-6-1,2,3,4,4a,1a)-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]6(OC)[c]1(CC)[c]2([c]3(O[Si](C)(C)C(C)(C)C)[c]14ccc2ccccc2[c]561)CC
• 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: 9.4311 ± 0.0001 Å
• b: 11.9278 ± 0.0001 Å
• c: 19.7424 ± 0.0003 Å
• α: 73.265 ± 0.001°
• β: 83.572 ± 0.001°
• γ: 68.017 ± 0.001°
• Cell volume: 1972.16 ± 0.04 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: 0.0519
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No