Information card for entry 7711895

Structure parameters

• Chemical name: Carbonyl-eta2 ethyne-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-trifluormethanesulfonato-tungsten(II)
• Formula: C22.5 H31 B Cl F3 N6 O4 S W
• Calculated formula: C22.5 H31 B Cl F3 N6 O4 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: 12.8417 ± 0.0005 Å
• b: 22.0759 ± 0.0008 Å
• c: 11.0925 ± 0.0004 Å
• α: 90°
• β: 115.257 ± 0.001°
• γ: 90°
• Cell volume: 2844.02 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No