Information card for entry 4083921

Structure parameters

• Formula: C82 H108 F Hf4 N4 O2
• Calculated formula: C82 H108 F Hf4 N4 O2
• 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: 9.3308 ± 0.0008 Å
• b: 11.3211 ± 0.0009 Å
• c: 17.9171 ± 0.0015 Å
• α: 85.088 ± 0.001°
• β: 77.59 ± 0.001°
• γ: 82.518 ± 0.001°
• Cell volume: 1829.5 ± 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: 0.0185
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No