Information card for entry 7043566

Structure parameters

• Formula: C56 H56 Mo2 O7 S6
• Calculated formula: C56 H56 Mo2 O7 S6
• Title of publication: Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs
• Authors of publication: Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.9426 ± 0.0004 Å
• b: 10.0256 ± 0.0004 Å
• c: 15.2661 ± 0.0006 Å
• α: 73.959 ± 0.003°
• β: 73.188 ± 0.003°
• γ: 74.464 ± 0.003°
• Cell volume: 1370.46 ± 0.1 ų
• Cell temperature: 100 ± 10 K
• Ambient diffraction temperature: 100 ± 10 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No