Information card for entry 4078272

Structure parameters

• Formula: C108 H132 In4 O10
• Calculated formula: C108 H124 In4 O10
• SMILES: C1CCCO1.O1[In]23(O[In]45(O[In]67(O[In]1(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([O]2CC[O]34)[O]6CC[O]57)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C1CCCO1
• Title of publication: Concomitant Reactivity of them-Terphenylindium Dihydroxide [2,6-Mes2C6H3In(OH)2]4toward Carbon Dioxide and Ethylene Glycol
• Authors of publication: Ahmad, S. Usman; Beckmann, Jens; Duthie, Andrew
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3802
• a: 14.936 ± 0.005 Å
• b: 28.367 ± 0.01 Å
• c: 22.525 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9544 ± 6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No