Information card for entry 4065894

Structure parameters

• Formula: C10 H23 B2 Cl Zr
• Calculated formula: C10 H23 B2 Cl Zr
• SMILES: [Zr]123456(Cl)([H][BH2][H]1)([H][BH2][H]2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 7.2274 ± 0.0006 Å
• b: 14.5425 ± 0.0012 Å
• c: 13.4015 ± 0.0011 Å
• α: 90°
• β: 93.176 ± 0.002°
• γ: 90°
• Cell volume: 1406.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No