Information card for entry 4110062

Structure parameters

• Common name: cmpd_7a
• Formula: C42 H74 Hf2 N8 Si
• Calculated formula: C42 H74 Hf2 N8 Si
• SMILES: [Hf]1234567([H][Hf]89%10%11%12(N1N2[SiH2]c1ccccc1)([N](=C(N8C(C)C)N(C)C)C(C)C)[cH]1[c]%10([c]%11([c]9([c]%121C)C)C)C)(N(C(=[N]3C(C)C)N(C)C)C(C)C)[cH]1[c]4([c]7([c]6([c]51C)C)C)C
• Title of publication: Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic "Side-on-Bridged" Dinitrogen Complexes for Zirconium and Hafnium
• Authors of publication: Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12690 - 12692
• a: 40.804 ± 0.002 Å
• b: 45.984 ± 0.002 Å
• c: 9.8364 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18456.3 ± 1.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No