Information card for entry 4117583

Structure parameters

• Formula: C27.5 H26.5 In N1.5 O9.5
• Calculated formula: C20 H10 In O8
• Title of publication: Intrinsic Broad-Band White-Light Emission by a Tuned, Corrugated Metal-Organic Framework
• Authors of publication: Dorina F. Sava; Lauren E. S. Rohwer; Mark A. Rodriguez; Tina M. Nenoff
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3983 - 3986
• a: 33.975 ± 0.003 Å
• b: 33.975 ± 0.003 Å
• c: 33.975 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39217 ± 6 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No