Information card for entry 7101446

Structure parameters

• Formula: C43 H51 Hf Sb
• Calculated formula: C43 H51 Hf Sb
• SMILES: [Hf]123456789([c]%10([c]8(C)[c]9([c]3([c]1%10C)C)C)C)([cH]1[cH]6[cH]7[cH]4[cH]21)C(C)=C(C)[Sb]5c1c(c2c(cc(C)cc2C)C)cccc1c1c(C)cc(cc1C)C
• Title of publication: Terminal stibinidene ligands. Generation of CpCp*Hf=Sb(dmp) and trapping reactions with PMe3 and 2-butyne
• Authors of publication: T. Don Tilley; Rory Waterman
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 38
• a: 12.0456 ± 0.001 Å
• b: 16.5002 ± 0.0013 Å
• c: 18.0752 ± 0.0014 Å
• α: 90°
• β: 93.404 ± 0.001°
• γ: 90°
• Cell volume: 3586.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No