Information card for entry 7705574

Structure parameters

• Formula: C30 H46 Br In N4
• Calculated formula: C30 H46 Br In N4
• SMILES: [In]12(Br)([N](=C(N2C(C)(C)C)c2ccccc2)C(C)(C)C)N(C(=[N]1C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.
• Authors of publication: Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 14231 - 14236
• a: 10.025 ± 0.002 Å
• b: 11.767 ± 0.002 Å
• c: 26.548 ± 0.003 Å
• α: 90°
• β: 99.56 ± 0.02°
• γ: 90°
• Cell volume: 3088.2 ± 0.9 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: 0.0385
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No