Information card for entry 7011520

Structure parameters

• Formula: C20 H44 Cl18 Mo6 O2 P2
• Calculated formula: C20 H44 Cl18 Mo6 O2 P2
• Title of publication: Synthesis of hexanuclear molybdenum clusters containing phosphine oxide ligands
• Authors of publication: Szczepura, Lisa F.; Ooro, Betty A.; Wilson, Scott R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3112
• a: 10.0685 ± 0.0016 Å
• b: 15.617 ± 0.002 Å
• c: 15.693 ± 0.003 Å
• α: 90°
• β: 91.799 ± 0.005°
• γ: 90°
• Cell volume: 2466.3 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No