Information card for entry 7039037

Structure parameters

• Chemical name: (p-BrAr-BIAN)InCl3
• Formula: C30 H28 Br2 Cl3 In N4 O2
• Calculated formula: C30 H28 Br2 Cl3 In N4 O2
• SMILES: [In]1(Cl)(Cl)(Cl)([N](c2ccc(Br)cc2)=C2C(c3cccc4cccc2c34)=[N]1c1ccc(Br)cc1)[O]=CN(C)C.C(=O)N(C)C
• Title of publication: A multi-step solvent-free mechanochemical route to indium(iii) complexes.
• Authors of publication: Wang, Jingyi; Ganguly, Rakesh; Yongxin, Li; Díaz, Jesus; Soo, Han Sen; García, Felipe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7941 - 7946
• a: 12.412 ± 0.001 Å
• b: 19.7758 ± 0.0015 Å
• c: 13.5227 ± 0.001 Å
• α: 90°
• β: 107.797 ± 0.003°
• γ: 90°
• Cell volume: 3160.4 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No