Information card for entry 7028041

Structure parameters

• Chemical name: Diaquodichlorodioxomolybdenum(VI) dihydrate 18-crown-6
• Formula: C12 H32 Cl2 Mo O12
• Calculated formula: C12 H32 Cl2 Mo O12
• 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: 8.3364 ± 0.0002 Å
• b: 19.2115 ± 0.0006 Å
• c: 14.343 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2297.1 ± 0.11 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No