Information card for entry 4083923

Structure parameters

• Formula: C43.83 H57.5 Hf2 N2 O Si
• Calculated formula: C43.832 H57.496 Hf2 N2 O Si
• SMILES: [c]12([cH]3[c]4([cH]5[c]1(C)[Hf]16782345([cH]2[c]1([c]6([cH]7[c]82C)C)C)(C=C=C[Si](c1ccccc1)(C)C)N[Hf]12345678([c]9([cH]4[c]3([c]2([cH]19)C)C)C)([cH]1[c]8([c]7([cH]6[c]51C)C)C)N=C=O)C)C
• Title of publication: N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex
• Authors of publication: Semproni, Scott P.; Chirik, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3727
• a: 9.52 ± 0.005 Å
• b: 15.189 ± 0.005 Å
• c: 28.341 ± 0.005 Å
• α: 90°
• β: 98.04 ± 0.005°
• γ: 90°
• Cell volume: 4058 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No