Information card for entry 7709116

Structure parameters

• Chemical name: Carbonyl-iodido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}-(η2-C,C?-2-propinyldiphenylphosphine)-tungsten(II)
• Formula: C36.8 H47.61 B Cl0.61 I N6 O P W
• Calculated formula: C36.803 H47.606 B Cl0.606 I N6 O P 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: 44.299 ± 0.016 Å
• b: 10.596 ± 0.004 Å
• c: 16.986 ± 0.006 Å
• α: 90°
• β: 102.482 ± 0.012°
• γ: 90°
• Cell volume: 7785 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No