Information card for entry 4315908

Structure parameters

• Formula: C42.5 H69 B Cl Mo3 P6 S4
• Calculated formula: C42.5 H69 B Cl Mo3 P6 S4
• Title of publication: Chiral [Mo3S4H3(diphosphine)3]+ Hydrido Clusters and Study of the Effect of the Metal Atom on the Kinetics of the Acid-Assisted Substitution of the Coordinated Hydride: Mo vs W
• Authors of publication: Andrés G. Algarra; Manuel G. Basallote; M. Jesús Fernández-Trujillo; Marta Feliz; Eva Guillamón; Rosa Llusar; Ivan Sorribes; Cristian Vicent
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5935 - 5942
• a: 15.2759 ± 0.0017 Å
• b: 15.9639 ± 0.0018 Å
• c: 16.1002 ± 0.0018 Å
• α: 119.268 ± 0.002°
• β: 105.991 ± 0.003°
• γ: 98.261 ± 0.003°
• Cell volume: 3105.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.101
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No