Information card for entry 7028042

Structure parameters

• Chemical name: Dichlorobis(methanol)dioxomolybdenum(VI) 18-crown-6
• Formula: C14 H32 Cl2 Mo O10
• Calculated formula: C14 H32 Cl2 Mo O10
• SMILES: C1COCCOCCOCCOCCOCCO1.Cl[Mo]([OH]C)(Cl)([OH]C)(=O)=O
• Title of publication: Vibrational and crystallographic studies of dioxohalogenomolybdenum(VI) complexes with crown ethers
• Authors of publication: Taylor, Michael J.; Rickard, Clifton E. F.; Kloo, Lars A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 19
• Pages of publication: 3195
• a: 8.7118 ± 0.0001 Å
• b: 19.0183 ± 0.0003 Å
• c: 13.6617 ± 0.0002 Å
• α: 90°
• β: 94.949 ± 0.001°
• γ: 90°
• Cell volume: 2255.08 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No