Information card for entry 7109427

Structure parameters

• Formula: C21 H23 In N2 O9
• Calculated formula: C21 H23 In N2 O9
• Title of publication: Structural isomerism leading to variable proton conductivity in indium(III) isophthalic acid based frameworks
• Authors of publication: Tamas Panda; Tanay Kundu; Rahul Banerjee
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6197
• a: 11.9876 ± 0.0003 Å
• b: 13.0329 ± 0.0004 Å
• c: 18.3012 ± 0.0006 Å
• α: 90°
• β: 125.26 ± 0.002°
• γ: 90°
• Cell volume: 2334.7 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No