Information card for entry 4343401

Structure parameters

• Formula: C10 H14 Cu I3 N4
• Calculated formula: C10 H14 Cu I3 N4
• Title of publication: Highly Polarizable Triiodide Anions (I3(-)) as Cross-Linkers for Coordination Polymers: Closing the Semiconductive Band Gap.
• Authors of publication: He, Jun; Cao, Peng; Wu, Chao; Huang, Jiahong; Huang, Jian; He, Yonghe; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6087 - 6089
• a: 9.3242 ± 0.0014 Å
• b: 16.887 ± 0.003 Å
• c: 20.587 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3241.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No