Information card for entry 7051588

Structure parameters

• Formula: C41 H64 Li N3 O
• Calculated formula: C41 H64 Li N3 O
• SMILES: [O]1([Li]23N(C(=N[c]42[c]3(cccc4C(C)C)C(C)C)N(C2CCCCC2)C2CCCCC2)c2c(cccc2C(C)C)C(C)C)CCCC1
• 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: 18.807 ± 0.004 Å
• b: 11.783 ± 0.002 Å
• c: 18.773 ± 0.004 Å
• α: 90°
• β: 113.2 ± 0.03°
• γ: 90°
• Cell volume: 3823.7 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No