Information card for entry 7043564

Structure parameters

• Formula: C41 H43 B2 F8 N3 Ni P2 S
• Calculated formula: C41 H43 B2 F8 N3 Ni P2 S
• 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: 25.31933 ± 0.00015 Å
• b: 9.23175 ± 0.00006 Å
• c: 17.8703 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4177.03 ± 0.05 ų
• Cell temperature: 106.7 ± 0.2 K
• Ambient diffraction temperature: 106.7 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No