Information card for entry 7103595

Structure parameters

• Formula: C49 H92 Cl8 In5 N7
• Calculated formula: C49 H92 Cl8 In5 N7
• SMILES: [In]([In](Cl)(Cl)([N]12CCC(CC1)CC2)[N]12CCC(CC1)CC2)([In](Cl)(Cl)[N]12CCC(CC1)CC2)([In](Cl)(Cl)[N]12CCC(CC1)CC2)[In](Cl)(Cl)[N]12CCC(CC1)CC2.[NH+]12CCC(CC1)CC2.N12CCC(CC1)CC2
• Title of publication: Synthesis and structural characterisation of a soluble, metastable indium(I) halide complex, [InBr(tmeda)].
• Authors of publication: Green, Shaun P; Jones, Cameron; Stasch, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6285 - 6287
• a: 12.079 ± 0.002 Å
• b: 21.69 ± 0.004 Å
• c: 12.363 ± 0.003 Å
• α: 90.38 ± 0.03°
• β: 97.84 ± 0.03°
• γ: 103.65 ± 0.03°
• Cell volume: 3115.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1388
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.2923
• Weighted residual factors for all reflections included in the refinement: 0.3065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No