Information card for entry 7043367

Structure parameters

• Chemical name: syn-{μ-(diisopropylphosphanyl)(diphenylphosphanyl)acetylene}-[(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-η2-C,C?-tungsten(II)]-[dichlorido-κ2-P,P?-platinum(II)]
• Formula: C40.92 H55.88 B Cl5.89 I N6 O P2 Pt W
• Calculated formula: C40.943 H55.886 B Cl5.886 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: 14.5361 ± 0.0006 Å
• b: 25.7551 ± 0.001 Å
• c: 15.0081 ± 0.0006 Å
• α: 90°
• β: 115.98 ± 0.002°
• γ: 90°
• Cell volume: 5050.9 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No