Information card for entry 4315909

Structure parameters

• Formula: C42.5 H85 Br4 Cl P6 S4 W3
• Calculated formula: C42.5 H85 Br4 Cl P6 S4 W3
• 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: 12.0152 ± 0.0009 Å
• b: 19.737 ± 0.0015 Å
• c: 15.0015 ± 0.0012 Å
• α: 90°
• β: 98.248 ± 0.002°
• γ: 90°
• Cell volume: 3520.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No