Information card for entry 7002490

Structure parameters

• Formula: C27.5 H27.75 Cu I N6.25
• Calculated formula: C27.5 H27 Cu I N6.25
• Title of publication: Assembly of [CunIn]-based coordination polymers from cracking the 3D framework of bulk CuI via flexible N-heterocyclic ligands
• Authors of publication: Li, Ling-Ling; Li, Hong-Xi; Ren, Zhi-Gang; Liu, Dong; Chen, Yang; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8567 - 8573
• a: 13.989 ± 0.002 Å
• b: 13.989 ± 0.002 Å
• c: 16.395 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2778.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No