Information card for entry 7043368

Structure parameters

• Chemical name: {μ-Bis(diphenylphosphanyl)acetylene}-[(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-η2-C,C?-tungsten(II)]-[dichlorido-κ2-P,P?-platinum(II)]
• Formula: C48 H54 B Cl8 I N6 O P2 Pt W
• Calculated formula: C48 H54 B Cl8 I N6 O P2 Pt W
• Title of publication: Sterically Encumbered Metalla-diphosphines: Unlocking Alkyne Rotation by PtII Coordination
• Authors of publication: Helmdach, Kai; Dörk, Stephan; Villinger, Alexander; Seidel, Wolfram Willy
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.4421 ± 0.0006 Å
• b: 16.6727 ± 0.0006 Å
• c: 21.744 ± 0.0009 Å
• α: 90°
• β: 91.937 ± 0.002°
• γ: 90°
• Cell volume: 5595 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 10
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No