Information card for entry 4330225

Structure parameters

• Formula: C41 H63 N2 P Sn
• Calculated formula: C41 H63 N2 P Sn
• SMILES: [Sn]1(P(C2CCCCC2)C2CCCCC2)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|
• Authors of publication: Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9403 - 9415
• a: 9.9722 ± 0.0001 Å
• b: 23.7044 ± 0.0004 Å
• c: 17.4243 ± 0.0003 Å
• α: 90°
• β: 109.003 ± 0.001°
• γ: 90°
• Cell volume: 3894.37 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No