Information card for entry 4111732

Structure parameters

• Formula: C61.5 H64 Bi2 Zr
• Calculated formula: C61.5 H63.5 Bi2 Zr
• Title of publication: A Metallocene-Complexed Dibismuthene: Cp2Zr(BiR)2 (Cp = C5H5; R = C6H3-2,6-Mes2)
• Authors of publication: Yuzhong Wang; Brandon Quillian; Xiao-Juan Yang; Pingrong Wei; Zhongfang Chen; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7672 - 7673
• a: 11.38 ± 0.003 Å
• b: 12.774 ± 0.003 Å
• c: 20.598 ± 0.006 Å
• α: 97.506 ± 0.005°
• β: 100.016 ± 0.006°
• γ: 111.15 ± 0.003°
• Cell volume: 2688.4 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No