Information card for entry 4342054

Structure parameters

• Formula: C67 H70 B Cl2 F3 N3 P3 S4 W3
• Calculated formula: C67 H70 B Cl2 F3 N3 P3 S4 W3
• SMILES: [W]12345([W]678([W]91(S6)([S]27)(S3)([P](CC[NH2]9)(c1ccccc1)c1ccccc1)F)(S4)([P](c1ccccc1)(CC[NH2]8)c1ccccc1)F)([P](c1ccccc1)(c1ccccc1)CC[NH2]5)F.c1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 14.2869 ± 0.0003 Å
• b: 15.6823 ± 0.0003 Å
• c: 17.6782 ± 0.0003 Å
• α: 75.7547 ± 0.0014°
• β: 71.0168 ± 0.0016°
• γ: 65.35 ± 0.0017°
• Cell volume: 3375.9 ± 0.12 ų
• Cell temperature: 199.95 ± 0.1 K
• Ambient diffraction temperature: 199.95 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No