Information card for entry 4080457

Structure parameters

• Formula: C48 H92 Si4 Zr4
• Calculated formula: C48 H92 Si4 Zr4
• Title of publication: Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units
• Authors of publication: Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2145
• a: 16.2485 ± 0.0014 Å
• b: 16.2485 ± 0.0014 Å
• c: 12.1427 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3205.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No