Information card for entry 7011753

Structure parameters

• Formula: C42 H45 F18 Mo3 O16 Zn
• Calculated formula: C42 H45 F18 Mo3 O16 Zn
• Title of publication: High oxidation state aqueous organometallics. Formation and structure of an oxo-centred Cp*MoV trinuclear cation by chemical reduction of Cp*2Mo2O5
• Authors of publication: Demirhan, Funda; Gun, Jenny; Lev, Ovadia; Modestov, Alexandre; Poli, Rinaldo; Richard, Philippe
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2109
• a: 11.8671 ± 0.0001 Å
• b: 11.7975 ± 0.0001 Å
• c: 37.6903 ± 0.0005 Å
• α: 90°
• β: 95.767 ± 0.001°
• γ: 90°
• Cell volume: 5250.01 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No