Information card for entry 4065897

Structure parameters

• Formula: C22 H39 Cl2 O0.5 Zr2
• Calculated formula: C22 H39 Cl2 O0.5 Zr2
• 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: 16.0703 ± 0.0009 Å
• b: 16.0703 ± 0.0009 Å
• c: 9.6812 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2500.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No