Information card for entry 4081348

Structure parameters

• Formula: C82 H92 Ho Li2 N2 O8 Si4
• Calculated formula: C82 H92 Ho Li2 N2 O8 Si4
• SMILES: [N]1(=CC=[N]([Ho]231([O]([Li]1[O]4CCCC4)[Si](O[Si]([O]24)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[O]([Li]4[O]2CCCC2)[Si](O[Si]([O]31)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity
• Authors of publication: Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4636
• a: 13.935 ± 0.003 Å
• b: 12.342 ± 0.003 Å
• c: 22.49 ± 0.005 Å
• α: 90°
• β: 95.62 ± 0.03°
• γ: 90°
• Cell volume: 3849.4 ± 1.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No