Information card for entry 7103563

Structure parameters

• Formula: C42 H42 I3 In O8 P2
• Calculated formula: C42 H42 I3 In O8 P2
• SMILES: I[In]([O]=P(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC)(I)(I)[O]=P(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: Solid-state (115)In NMR study of indium coordination complexes.
• Authors of publication: Chen, Fu; Ma, Guibin; Cavell, Ronald G; Terskikh, Victor V; Wasylishen, Roderick E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 5933 - 5935
• a: 12.9326 ± 0.0004 Å
• b: 12.9326 ± 0.0004 Å
• c: 15.5514 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2252.53 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No