Information card for entry 7025711

Structure parameters

• Formula: C27 H42 N9 P3
• Calculated formula: C27 H42 N9 P3
• SMILES: P1=C(N=NN1Cc1c(c(c(c(c1C)CN1P=C(N=N1)C(C)(C)C)C)CN1P=C(N=N1)C(C)(C)C)C)C(C)(C)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: 19.543 ± 0.004 Å
• b: 10.51 ± 0.002 Å
• c: 30.197 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6202 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No