Information card for entry 4504236

Structure parameters

• Formula: C3.33 H6.67 Cu1.56 I1.56 N1.11
• Calculated formula: C3.33333 H5.33333 Cu1.55333 I1.55556 N1.11111
• Title of publication: Two Isomers with FSC Topology Constructed from Cu6I6(DABCO)4and Cu8I8(DABCO)6Building Blocks
• Authors of publication: Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Yunling; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2066
• a: 10.29 ± 0.002 Å
• b: 11.102 ± 0.002 Å
• c: 17.022 ± 0.003 Å
• α: 82.3 ± 0.03°
• β: 88.41 ± 0.03°
• γ: 69.13 ± 0.03°
• Cell volume: 1800.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No