Information card for entry 7015411

Structure parameters

• Common name: Li[NapthylBai]
• Formula: C28 H24 B Li N6
• Calculated formula: C28 H24 B Li N6
• SMILES: [B]12([H][Li]([n]3c4c(ccn14)ccc3)([n]1c3c(ccn23)ccc1)([N]#CC)[N]#CC)c1cccc2ccccc12
• Title of publication: Synthesis and characterisation of group nine transition metal complexes containing new mesityl and naphthyl based azaindole scorpionate ligands.
• Authors of publication: Owen, Gareth R.; Tsoureas, Nikolaos; Hope, Rebecca F.; Kuo, Yu-Ying; Haddow, Mairi F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 22
• Pages of publication: 5906 - 5915
• a: 13.7576 ± 0.0005 Å
• b: 8.1623 ± 0.0003 Å
• c: 23.2888 ± 0.0008 Å
• α: 90°
• β: 102.637 ± 0.002°
• γ: 90°
• Cell volume: 2551.83 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No