Information card for entry 4302763

Structure parameters

• Formula: C52 H78 I2 Li2 N4 O3 Si Sm
• Calculated formula: C52 H78 I2 Li2 N4 O3 Si Sm
• SMILES: [Sm]12345678([I][Li]9([O](CC)CC)[N](=C([N]39[Si](N4C(=[N]([Li]([O](CC)CC)[O]3CCCC3)[c]35[c]6([cH]7[cH]8[cH]2[c]13C(C)C)C(C)C)c1ccccc1)(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)I
• Title of publication: Stabilization of Imidosamarium(III) Cubane by Amidinates
• Authors of publication: Cheng-Ling Pan; Wan Chen; Shuyan Song; Hongjie Zhang; Xingwei Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6344 - 6346
• a: 10.2825 ± 0.0006 Å
• b: 38.257 ± 0.002 Å
• c: 15.3925 ± 0.0008 Å
• α: 90°
• β: 108.579 ± 0.001°
• γ: 90°
• Cell volume: 5739.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No