Information card for entry 4342055

Structure parameters

• Formula: C67 H66 B Cl5 N3 P3 S4 W3
• Calculated formula: C67 H65 B Cl5 N3 P3 S4 W3
• Title of publication: Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides.
• Authors of publication: Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 607 - 618
• a: 13.6639 ± 0.0003 Å
• b: 15.5155 ± 0.0003 Å
• c: 18.3338 ± 0.0003 Å
• α: 100.704 ± 0.0014°
• β: 100.802 ± 0.0014°
• γ: 108.188 ± 0.0017°
• Cell volume: 3500.76 ± 0.13 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No