Information card for entry 7239503

Structure parameters

• Formula: C41 H40 In2 N2 O22
• Calculated formula: C41 H35 In2 N2 O22
• Title of publication: A photoluminescent microporous metal organic anionic framework for nitroaromatic explosive sensing
• Authors of publication: Xue, Yun-Shan; He, Yabing; Zhou, Lian; Chen, Fei-Jian; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng; Chen, Banglin
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 14
• Pages of publication: 4525
• a: 12.262 ± 0.004 Å
• b: 13.572 ± 0.005 Å
• c: 24.934 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4150 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2645
• Weighted residual factors for all reflections included in the refinement: 0.2949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No