Information card for entry 7050211

Structure parameters

• Formula: C22 H30 Cl3 In N2 O
• Calculated formula: C22 H30 Cl3 In N2 O
• SMILES: [In]1([N](=Cc2[n]1cccc2)c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)(Cl)[O]1CCCC1
• Title of publication: The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes
• Authors of publication: Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 207
• a: 17.008 ± 0.003 Å
• b: 16.621 ± 0.003 Å
• c: 17.465 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4937.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No