Information card for entry 4335555

Structure parameters

• Formula: C54 H121.99 Cl24 Mo12 O14 P6 S4
• Calculated formula: C54 H82 Cl24 Mo12 O14 P6 S4
• Title of publication: Influence of the Ligand Alkyl Chain Length on the Solubility, Aqueous Speciation, and Kinetics of Substitution Reactions of Water-Soluble M3S4 (M = Mo, W) Clusters Bearing Hydroxyalkyl Diphosphines
• Authors of publication: Tomás F. Beltrán; Rosa Llusar; Maxim Sokolov; Manuel G. Basallote; M. Jesús Fernández-Trujillo; Jose Ángel Pino-Chamorro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8713 - 8722
• a: 14.5081 ± 0.0004 Å
• b: 20.1247 ± 0.0007 Å
• c: 25.1681 ± 0.0006 Å
• α: 105.456 ± 0.003°
• β: 103.923 ± 0.002°
• γ: 105.522 ± 0.003°
• Cell volume: 6427.8 ± 0.4 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No