Information card for entry 7015410

Structure parameters

• Common name: Li[MesitylBai]
• Formula: C27 H28 B Li N6
• Calculated formula: C27 H28 B Li N6
• SMILES: [B]12([H][Li]([n]3c4c(ccn14)ccc3)([n]1c3c(ccn23)ccc1)([N]#CC)[N]#CC)c1c(cc(cc1C)C)C
• 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: 14.7389 ± 0.0014 Å
• b: 13.0377 ± 0.0011 Å
• c: 26.415 ± 0.002 Å
• α: 90°
• β: 95.055 ± 0.004°
• γ: 90°
• Cell volume: 5056.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No