Information card for entry 7024773

Structure parameters

• Formula: C31 H47 Cl2 Cu F6 I Mo3 P S4
• Calculated formula: C31 H47 Cl2 Cu F6 I Mo3 P S4
• Title of publication: Heterometallic cubane-type clusters [M'Mo3S4] (M' = Au, Ag and Cu): synthesis, structures and electrochemical properties.
• Authors of publication: Chen, Pingping; Chen, Yanhui; Zhou, Yuhan; Peng, Ying; Qu, Jingping; Hidai, Masanobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5658 - 5663
• a: 16.667 ± 0.0019 Å
• b: 15.708 ± 0.002 Å
• c: 32.903 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8614.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No