Information card for entry 7118244

Structure parameters

• Chemical name: Di(carbonyl)-N,N'-dibenzylamidiniumcarbyne)-hydridotris(3,5-dimethylpyrazolylborato)tungsten(II)-hexafluorophosphate
• Formula: C33 H38 B F6 N8 O2 P W
• Calculated formula: C33 H38 B F6 N8 O2 P W
• Title of publication: Dual nucleophilic substitution at a W(ii) η(2)-coordinated diiodo acetylene leading to an amidinium carbyne complex.
• Authors of publication: Helmdach, Kai; Rüger, Julia; Villinger, Alexander; Seidel, Wolfram W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2616 - 2619
• a: 25.7178 ± 0.0009 Å
• b: 11.6201 ± 0.0004 Å
• c: 25.7435 ± 0.0008 Å
• α: 90°
• β: 97.686 ± 0.002°
• γ: 90°
• Cell volume: 7624.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No