Information card for entry 4317046

Structure parameters

• Formula: C43 H66 N2 Y2
• Calculated formula: C43 H60 N2 Y2
• Title of publication: Reduction of Dinitrogen with an Yttrium Metallocene Hydride Precursor, [(C5Me5)2YH]2
• Authors of publication: Benjamin M. Schmiege; Joseph W. Ziller; William J. Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10506 - 10511
• a: 14.2815 ± 0.0003 Å
• b: 14.2815 ± 0.0003 Å
• c: 19.73 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4024.2 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No