Information card for entry 4350823

Structure parameters

• Formula: C10 H7 Cu2 I N6
• Calculated formula: C10 H7 Cu2 I N6
• Title of publication: An unprecedented (4, 8)-connected self-penetrating Cu(I)-MOF constructed from the rare [Cu4I2]2+ cationic cluster and in situ generated tetrazole ligand
• Authors of publication: Huang, Rong-Yi; Zhu, Chang-Hai; Kong, Xue-Jun; Xu, Heng
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2015
• Journal volume: 61
• Pages of publication: 1 - 4
• a: 8.714 ± 0.006 Å
• b: 13.48 ± 0.01 Å
• c: 20.447 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2402 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No