Information card for entry 4083919

Structure parameters

• Formula: C39 H51 F Hf2 N2 O
• Calculated formula: C39 H51 F Hf2 N2 O
• SMILES: [cH]12[c]3([cH]4[c]5([c]1(C)[Hf]16789%102345([c]2([cH]8[c]7([cH]6[c]12C)C)C)OC=[N]9[Hf]12345678([c]9([cH]1[c]2([cH]3[c]49C)C)C)([c]1([cH]8[c]7([c]6([cH]51)C)C)C)N%10)C)C.c1ccccc1F
• 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: 10.1858 ± 0.0012 Å
• b: 12.4686 ± 0.0014 Å
• c: 14.8013 ± 0.0016 Å
• α: 112.29 ± 0.003°
• β: 93.368 ± 0.003°
• γ: 92.903 ± 0.002°
• Cell volume: 1730.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No