Information card for entry 4109304

Structure parameters

• Formula: C24 H38 Cl2 Mo Si2
• Calculated formula: C24 H38 Cl2 Mo Si2
• SMILES: [cH]12[cH]3[cH]4[Mo]56789%10%1113([cH]1[cH]5[c]7([cH]9[cH]%11[cH]%101)[Si](Cl)(C(C)C)C(C)C)[cH]2[cH]6[c]48[Si](C(C)C)(C(C)C)Cl
• Title of publication: Dilithiation of Bis(benzene)molybdenum and Subsequent Isolation of a Molybdenum-Containing Paracyclophane
• Authors of publication: Holger Braunschweig; Nele Buggisch; Ulli Englert; Melanie Homberger; Thomas Kupfer; Dirk Leusser; Matthias Lutz; Krzysztof Radacki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4840 - 4846
• a: 7.7393 ± 0.0004 Å
• b: 7.7393 ± 0.0004 Å
• c: 37.305 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1935.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No