Information card for entry 7025681

Structure parameters

• Formula: C47 H72 N5 Sm
• Calculated formula: C47 H72 N5 Sm
• 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: 21.06 ± 0.06 Å
• b: 10.493 ± 0.007 Å
• c: 19.3928 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4285 ± 13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No