Information card for entry 7214569

Structure parameters

• Formula: C42 H24 I2 In4 N6 O27
• Calculated formula: C42 H18 I2 In4 N6 O27
• Title of publication: Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition
• Authors of publication: He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7406
• a: 16.063 ± 0.0008 Å
• b: 16.485 ± 0.0009 Å
• c: 19.025 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5037.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No