Information card for entry 7025680

Structure parameters

• Formula: C123 H168 N15 Sm3
• Calculated formula: C123 H168 N15 Sm3
• Title of publication: Sm(II) reduction chemistry of heteroalkynes: stable adducts, reductive coupling, reductive C-C/C-N bond cleavage and trapping of the tert-butyl fragment with bulky nitriles, phosphaalkynes and isonitriles.
• Authors of publication: Gardiner, Michael G.; James, Adam N.; Jones, Cameron; Schulten, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6864 - 6870
• a: 27.606 ± 0.004 Å
• b: 27.606 ± 0.004 Å
• c: 12.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8197 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.75277 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No