Information card for entry 4069159

Structure parameters

• Formula: C45 H49 Cr O7 P Si
• Calculated formula: C45 H49 Cr O7 P Si
• SMILES: c1(c(c(c(c2[c]34[c]5([cH]6[cH]7[cH]8[cH]3[Cr]45678(C#[O])(C#[O])[P](Oc3ccccc3)(Oc3ccccc3)Oc3ccccc3)ccc12)OC)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: 26.672 ± 0.005 Å
• b: 11.08 ± 0.002 Å
• c: 14.165 ± 0.005 Å
• α: 90°
• β: 98.12 ± 0.009°
• γ: 90°
• Cell volume: 4144.2 ± 1.8 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: 0.3087
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No