Information card for entry 7015413

Structure parameters

• Common name: Complex_6
• Formula: C65 H75 B2 Ir2 N8
• Calculated formula: C65 H75 B2 Ir2 N8
• 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: 10.7485 ± 0.0005 Å
• b: 13.7294 ± 0.0006 Å
• c: 19.2199 ± 0.0008 Å
• α: 93.257 ± 0.002°
• β: 90.316 ± 0.002°
• γ: 100.612 ± 0.002°
• Cell volume: 2782.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No