Information card for entry 4076981

Structure parameters

• Formula: C23 H44 I N3 O0.5 Si Sm
• Calculated formula: C25 H48 I N3 O0.5 Si Sm
• SMILES: [Sm]1234567(I)[N]8(CC[N]2(CC[N]1(CC8)C(C)C)C(C)C)[Si]([c]14[c]5([c]6([c]7([c]31C)C)C)C)(C)C.O1CCCC1
• Title of publication: Divalent Lanthanide Metal Complexes of a Triazacyclononane-Functionalized Tetramethylcyclopentadienyl Ligand: X-ray Crystal Structures of [C5Me4SiMe2(iPr2-tacn)]LnI (Ln = Sm, Yb; tacn = 1,4-Diisopropyl-1,4,7-triazacyclononane)
• Authors of publication: Giesbrecht, Garth R.; Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Arnold, John
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 3841
• a: 17.6084 ± 0.001 Å
• b: 18.1368 ± 0.001 Å
• c: 18.0899 ± 0.001 Å
• α: 90°
• β: 90.101 ± 0.002°
• γ: 90°
• Cell volume: 5777.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.0924
• Goodness-of-fit parameter for all reflections: 1.606
• Goodness-of-fit parameter for significantly intense reflections: 1.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No