Information card for entry 4327001

Structure parameters

• Formula: C60 H77 Hf2 N7 Si2
• Calculated formula: C60 H77 Hf2 N7 Si2
• SMILES: [Hf]1(N([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Hf](N1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(N(C)C)(N(C)C)[NH](C)C)(N(C)C)N(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides
• Authors of publication: Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12053 - 12063
• a: 11.493 ± 0.0002 Å
• b: 14.383 ± 0.0002 Å
• c: 18.435 ± 0.0004 Å
• α: 85.947 ± 0.001°
• β: 80.433 ± 0.001°
• γ: 82.27 ± 0.001°
• Cell volume: 2974.04 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No