Information card for entry 4065895

Structure parameters

• Formula: C47 H76 Cl4 Zr4
• Calculated formula: C47 H72.5 Cl4 Zr4
• Title of publication: Syntheses and Structures of Zirconium Tetranuclear Polyhydrides
• Authors of publication: Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2685
• a: 21.7273 ± 0.0007 Å
• b: 21.7273 ± 0.0007 Å
• c: 10.5748 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4992.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No