Information card for entry 7200629

Structure parameters

• Formula: C6 H6 Cu6 I3 N9
• Calculated formula: C6 H6 Cu6 I3 N9
• Title of publication: Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands
• Authors of publication: Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1964
• a: 17.54 ± 0.004 Å
• b: 18.008 ± 0.004 Å
• c: 11.256 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3555.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No