Information card for entry 7119280

Structure parameters

• Formula: C38 H62 N5 O Si2 Sm
• Calculated formula: C38 H62 N5 O Si2 Sm
• SMILES: [Sm]12([O]3CCCC3)([N](=C(N1C(C)C)c1cccc3c1c1c(cc3)cccc1/C(=N\C(C)C)N2C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.
• Authors of publication: Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1060 - 1063
• a: 13.2427 ± 0.0003 Å
• b: 19.5465 ± 0.0003 Å
• c: 16.2 ± 0.0003 Å
• α: 90°
• β: 106.627 ± 0.002°
• γ: 90°
• Cell volume: 4018.01 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No