Information card for entry 7213747

Structure parameters

• Formula: C28 H24 Cu F6 N12 O6 S4
• Calculated formula: C28 H24 Cu F6 N12 O6 S4
• Title of publication: Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation
• Authors of publication: Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 304
• a: 9.2224 ± 0.0007 Å
• b: 18.8786 ± 0.0013 Å
• c: 10.4661 ± 0.0008 Å
• α: 90°
• β: 100.366 ± 0.007°
• γ: 90°
• Cell volume: 1792.5 ± 0.2 ų
• Cell temperature: 323 ± 2 K
• Ambient diffraction temperature: 323 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No