Information card for entry 7026311

Structure parameters

• Formula: C36 H36 Cu2 I2 N8
• Calculated formula: C36 H36 Cu2 I2 N8
• SMILES: [I]1[Cu]23([I][Cu]413[n]1cccc(c1)NCc1cccc(c1)CNc1ccc[n]4c1)[n]1cccc(c1)NCc1cccc(c1)CNc1ccc[n]2c1
• Title of publication: Syntheses and structures of copper(I) complexes based on Cu(n)X(n) (X = Br and I; n = 1, 2 and 4) units and bis(pyridyl) ligands with longer flexible spacer.
• Authors of publication: Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10038 - 10050
• a: 9.2176 ± 0.0018 Å
• b: 10.102 ± 0.002 Å
• c: 10.842 ± 0.002 Å
• α: 96.15 ± 0.03°
• β: 114.74 ± 0.03°
• γ: 98.7 ± 0.03°
• Cell volume: 889.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No