Information card for entry 7025683

Structure parameters

• Formula: C89 H132 N8 P2 Sm2
• Calculated formula: C89 H132 N8 P2 Sm2
• 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: 14.941 ± 0.003 Å
• b: 17.469 ± 0.004 Å
• c: 18.533 ± 0.004 Å
• α: 112.38 ± 0.03°
• β: 91.11 ± 0.03°
• γ: 98.02 ± 0.03°
• Cell volume: 4415 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2149
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No