Information card for entry 7039036

Structure parameters

• Chemical name: [(p-MeOAr-BIAN)2InCl2][InCl4]
• Formula: C52 H40 Cl6 In2 N4 O4
• Calculated formula: C52 H40 Cl6 In2 N4 O4
• SMILES: COc1ccc(cc1)[N]1=C2C(c3cccc4cccc2c34)=[N](c2ccc(cc2)OC)[In]21(Cl)(Cl)[N](c1ccc(cc1)OC)=C1C(c3cccc4cccc1c34)=[N]2c1ccc(cc1)OC.Cl[In]([Cl-])(Cl)Cl
• 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: 9.6102 ± 0.0004 Å
• b: 15.9145 ± 0.0007 Å
• c: 17.2004 ± 0.0008 Å
• α: 79.7863 ± 0.0013°
• β: 76.3618 ± 0.0014°
• γ: 74.1154 ± 0.0012°
• Cell volume: 2440.9 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No