Information card for entry 4107056

Structure parameters

• Formula: C96 H106 B2 F48 Lu2 N8 O2
• Calculated formula: C96 H106 B2 F48 Lu2 N8 O2
• Title of publication: Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand
• Authors of publication: Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17574 - 17577
• a: 12.7943 ± 0.0016 Å
• b: 13.8697 ± 0.0017 Å
• c: 17.211 ± 0.002 Å
• α: 69.5007 ± 0.0018°
• β: 70.668 ± 0.0018°
• γ: 81.4178 ± 0.0019°
• Cell volume: 2697.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0787
• 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: Yes
• Has Fobs: No