Information card for entry 4107055

Structure parameters

• Formula: C96 H104 B2 F48 Lu2 N8 O2
• Calculated formula: C96 H104 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: 12.728 ± 0.0004 Å
• b: 13.8763 ± 0.0005 Å
• c: 17.1508 ± 0.0006 Å
• α: 69.4343 ± 0.0012°
• β: 71.3166 ± 0.0013°
• γ: 81.3633 ± 0.0013°
• Cell volume: 2684.21 ± 0.16 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: 0.1017
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No