Information card for entry 4080300

Structure parameters

• Common name: [Sm(DippForm)2I(THF)]
• Formula: C54 H78 I N4 O Sm
• Calculated formula: C54 H78 I N4 O Sm
• SMILES: [Sm]12(I)([O]3CCCC3)(N(C=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N(C=[N]2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species
• Authors of publication: Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1370
• a: 11.694 ± 0.0002 Å
• b: 14.5418 ± 0.0002 Å
• c: 16.2892 ± 0.0003 Å
• α: 83.413 ± 0.001°
• β: 77.483 ± 0.001°
• γ: 79.73 ± 0.001°
• Cell volume: 2652.49 ± 0.08 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No