Information card for entry 4338878

Structure parameters

• Formula: C18 H48 Cl4 Mo3 O12 P6 S4
• Calculated formula: C18 Cl4 Mo3 O12 P6 S4
• Title of publication: Synthesis, crystal structure, aqueous speciation, and kinetics of substitution reactions in a water-soluble Mo3S4 cluster bearing hydroxymethyl diphosphine ligands.
• Authors of publication: Algarra, Andrés G; Basallote, Manuel G.; Fernández-Trujillo, M Jesús; Guillamón, Eva; Llusar, Rosa; Segarra, M. Dolores; Vicent, Cristian
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7668 - 7677
• a: 12.6863 ± 0.0012 Å
• b: 12.6863 ± 0.0012 Å
• c: 43.813 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6106.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No