Information card for entry 7025712

Structure parameters

• Formula: C18 H24 N9 P3
• Calculated formula: C18 H24 N9 P3
• SMILES: c1(pn(Cc2c(c(c(c(c2C)Cn2nnc(p2)C)C)Cn2nnc(p2)C)C)nn1)C
• Title of publication: Using "click" chemistry to access a new class of tripodal P3-ligand containing P=C bonds.
• Authors of publication: Choong, Sam L.; Jones, Cameron; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5774 - 5776
• a: 17.456 ± 0.003 Å
• b: 17.456 ± 0.003 Å
• c: 12.415 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3276.2 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No