Information card for entry 4110063

Structure parameters

• Common name: cmpd_8a
• Formula: C36 H68 Hf2 N8
• Calculated formula: C36 H68 Hf2 N8
• SMILES: [Hf]1234567([H][Hf]89%10%11%12%13(N2[NH]18)(N(C(=[N]9C(C)C)N(C)C)C(C)C)[cH]1[c]%10([c]%13([c]%12([c]%111C)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: 11.2318 ± 0.0007 Å
• b: 11.8589 ± 0.0007 Å
• c: 31.064 ± 0.002 Å
• α: 90°
• β: 96.233 ± 0.001°
• γ: 90°
• Cell volume: 4113.2 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0423
• 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