Information card for entry 7002489

Structure parameters

• Formula: C36 H36 Cu3 I3 N6
• Calculated formula: C36 H36 Cu3 I3 N6
• 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: 9.6669 ± 0.0019 Å
• b: 28.873 ± 0.006 Å
• c: 13.072 ± 0.003 Å
• α: 90°
• β: 93.21 ± 0.03°
• γ: 90°
• Cell volume: 3642.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.105
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No