Information card for entry 7051589

Structure parameters

• Formula: C31 H48 K N3
• Calculated formula: C31 H42 K N3
• SMILES: [K+].N(=C([N-]c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and characterisation of bulky guanidines and phosphaguanidines: precursors for low oxidation state metallacycles
• Authors of publication: Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Rose, Richard P.; Stasch, Andreas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 64
• a: 11.462 ± 0.002 Å
• b: 11.997 ± 0.002 Å
• c: 21.319 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2931.6 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No