Information card for entry 7711906

Structure parameters

• Chemical name: η2-{Bis(diphenylphosphanyl)ethyne}-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-pyridine-tungsten(II)-trifuoromethanesulfonate
• Formula: C52.91 H56.81 B Cl3.82 F3 N7 O4.05 P2 S W
• Calculated formula: C52.912 H56.824 B Cl3.824 F3 N7 O4.05 P2 S W
• Title of publication: Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η²-C₂(PPh₂)₂}].
• Authors of publication: Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 326 - 337
• a: 10.7634 ± 0.0005 Å
• b: 15.6372 ± 0.0008 Å
• c: 17.1562 ± 0.0009 Å
• α: 81.843 ± 0.002°
• β: 86.429 ± 0.002°
• γ: 81.767 ± 0.002°
• Cell volume: 2826.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No