Information card for entry 7008237

Structure parameters

• Formula: C13 H14 Cu2 I2 N2
• Calculated formula: C13 H14 Cu2 I2 N2
• Title of publication: Rational design and construction of the first tetrahedral net with photoluminescent Cu4I4 cubane cluster as the tetrahedral node.
• Authors of publication: Hu, Sheng; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 7
• Pages of publication: 1165 - 1167
• a: 10.3184 ± 0.0004 Å
• b: 10.3184 ± 0.0004 Å
• c: 56.833 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5240.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No