Information card for entry 7114364

Structure parameters

• Formula: C6 H16 Cl4 Hf N2
• Calculated formula: C6 H16 Cl4 Hf N2
• SMILES: [Hf]1(Cl)(Cl)(Cl)(Cl)[N](C)(C)CC[N]1(C)C
• Title of publication: First successful reaction of a silyl anion with hafnium tetrachloride
• Authors of publication: Frank, Dieter; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 1190
• a: 14.797 ± 0.005 Å
• b: 7.552 ± 0.003 Å
• c: 12 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1341 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No