Information card for entry 4081132

Structure parameters

• Formula: C37 H41 Cl8 Ir2 N3 Sn2
• Calculated formula: C37 H41 Cl8 Ir2 N3 Sn2
• SMILES: [Ir]12345([Sn](Cl)(Cl)Cl)([c]6([c]2([c]3([c]1([c]46C)C)C)C)C)[n]1c2n3c4[n]([Ir]6789([Sn](Cl)(Cl)Cl)([c]%10([c]8([c]7([c]6([c]9%10C)C)C)C)C)c6c(c4cc2ccc1)cccc6)cc53.ClCCl
• Title of publication: Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework
• Authors of publication: Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4306
• a: 10.4699 ± 0.0009 Å
• b: 13.6086 ± 0.0011 Å
• c: 15.4117 ± 0.0013 Å
• α: 90.882 ± 0.001°
• β: 92.845 ± 0.001°
• γ: 93.711 ± 0.001°
• Cell volume: 2188.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No