Information card for entry 4000358

Structure parameters

• Formula: C27 H18 In N3 O3
• Calculated formula: C27 H18 In N3 O3
• SMILES: c1cc2O[In]34([n]5c2c(c1)ccc5)(Oc1c2[n]4cccc2ccc1)Oc1c2[n]3cccc2ccc1
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 8.4815 ± 0.0006 Å
• b: 10.3948 ± 0.0007 Å
• c: 13.2348 ± 0.0009 Å
• α: 108.763 ± 0.006°
• β: 97.664 ± 0.006°
• γ: 90.375 ± 0.006°
• Cell volume: 1093.43 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Method of determination: single crystal
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No