Information card for entry 7709119

Structure parameters

• Chemical name: like-Bis[carbonyl-iodido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}-(η2-C,C?-2-propin-1,3-diyldiphenylphosphine)-digold(I)
• Formula: C70.89 H84.95 Au2 B2 Cl5.77 I2 N12 O2 P2 W2
• Calculated formula: C70.878 H84.93 Au1.9999 B2 Cl5.756 I2 N12 O2 P2 W2
• 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: 10.9589 ± 0.0009 Å
• b: 11.3595 ± 0.0009 Å
• c: 32.95 ± 0.003 Å
• α: 97.652 ± 0.003°
• β: 93.12 ± 0.003°
• γ: 92.069 ± 0.003°
• Cell volume: 4055.4 ± 0.6 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: 0.0778
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No