Information card for entry 4330228

Structure parameters

• Formula: C41 H63 N2 P Pb
• Calculated formula: C41 H63 N2 P Pb
• SMILES: [Pb]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: 9.9586 ± 0.0002 Å
• b: 23.7678 ± 0.0004 Å
• c: 17.4757 ± 0.0002 Å
• α: 90°
• β: 108.531 ± 0.001°
• γ: 90°
• Cell volume: 3921.93 ± 0.11 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: 0.0468
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No