Information card for entry 4107054

Structure parameters

• Formula: C40 H40 B F20 Lu N4 Si
• Calculated formula: C40 H40 B F20 Lu N4 Si
• SMILES: [Si](C[Lu]1234[N](C4)(C)CC[N]3(CC[N]1(C)C)CC[N]2(C)C)(C)(C)C.Fc1c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F
• 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: 11.855 ± 0.004 Å
• b: 13.2 ± 0.004 Å
• c: 16.018 ± 0.005 Å
• α: 67.933 ± 0.004°
• β: 70.455 ± 0.005°
• γ: 81.338 ± 0.005°
• Cell volume: 2188.2 ± 1.2 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: 0.06
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No