Information card for entry 7114365

Structure parameters

• Formula: C30 H58 Cl3 Hf N3 Si4
• Calculated formula: C30 H58 Cl3 Hf N3 Si4
• SMILES: [Hf]12(Cl)(Cl)(Cl)([N](C)(C)CC[N]1(C)C)[N](=C2[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c1c(cccc1C)C.c1ccccc1
• 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: 11.625 ± 0.002 Å
• b: 12.164 ± 0.002 Å
• c: 29.975 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4238.7 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No