Information card for entry 4516497

Structure parameters

• Formula: C31 H39 Cl3 Cu4 I4 N4 O4 S2
• Calculated formula: C31 H39 Cl3 Cu4 I4 N4 O4 S2
• Title of publication: Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers
• Authors of publication: Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5183
• a: 18.5914 ± 0.0003 Å
• b: 10.5881 ± 0.0002 Å
• c: 23.0469 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4536.73 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No