Information card for entry 4069157

Structure parameters

• Chemical name: Dicarbonyl(trimethylphosphite)[(eta-6-4b,5,6,7,8,8a)-1-tert-butyldimethyl- siloxy-2,3-diethyl-4-methoxyphenanthrene]chromium
• Formula: C30 H43 Cr O7 P Si
• Calculated formula: C30 H43 Cr O7 P Si
• SMILES: [Cr]12345(C#[O])(C#[O])([P](OC)(OC)OC)[c]67[c]5([cH]4[cH]3[cH]2[cH]17)c1c(OC)c(CC)c(CC)c(O[Si](C)(C)C(C)(C)C)c1cc6
• 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: 14.3749 ± 0.0001 Å
• b: 17.3537 ± 0.0001 Å
• c: 13.2375 ± 0.0001 Å
• α: 90°
• β: 108.132 ± 0.001°
• γ: 90°
• Cell volume: 3138.22 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No