Information card for entry 4312068

Structure parameters

• Formula: C24 H27 Cl Mo O4
• Calculated formula: C24 H27 Cl Mo O4
• SMILES: [Mo](Cl)(Oc1c(cccc1C)C)(Oc1c(cccc1C)C)(Oc1c(cccc1C)C)=O
• Title of publication: Facile Formation of Molybdenum(VI) Monooxo Aryloxides MoO(OAr)4-nCln from Molybdenum Dioxo Dichloride
• Authors of publication: Tracy A. Hanna; Amit K. Ghosh; Catalina Ibarra; Lev N. Zakharov; Arnold L. Rheingold; William H. Watson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7567 - 7569
• a: 8.7389 ± 0.0008 Å
• b: 19.9489 ± 0.0018 Å
• c: 13.3483 ± 0.0012 Å
• α: 90°
• β: 90.941 ± 0.002°
• γ: 90°
• Cell volume: 2326.7 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No