Information card for entry 7024372

Structure parameters

• Formula: C32 H44 F27 Mo O4 P3
• Calculated formula: C32 H44 F27 Mo O4 P3
• Title of publication: Hydrogen bonding to carbonyl hydride complex Cp*Mo(PMe(3))(2)(CO)H and its role in proton transfer.
• Authors of publication: Dub, Pavel A.; Filippov, Oleg A.; Belkova, Natalia V.; Daran, Jean-Claude; Epstein, Lina M.; Poli, Rinaldo; Shubina, Elena S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 2008 - 2015
• a: 16.2134 ± 0.0004 Å
• b: 20.3539 ± 0.0006 Å
• c: 27.5461 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9090.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No