Information card for entry 7709120

Structure parameters

• Chemical name: Carbonyl-bromido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}tungsten(II)-(μ-η2-C,C?-κ2-C,N-prop-1-in-1,3-diylpyridine)-bis(2,2?-bipyridine)ruthenium(II)-hexafluorophosphate
• Formula: C48.38 H52.75 B Br Cl2.75 F6 N11 O P Ru W
• Calculated formula: C47.5 H51 B Br Cl F6 N11 O P Ru W
• Title of publication: Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes
• Authors of publication: Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 30.5669 ± 0.0019 Å
• b: 18.0426 ± 0.0012 Å
• c: 19.5693 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10792.6 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 11
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No