Information card for entry 4108572

Structure parameters

• Formula: C13 H6 Cu2 Fe3 N2 O9 Te
• Calculated formula: C13 H6 Cu2 Fe3 N2 O9 Te
• SMILES: [Te]12[Fe]345([Cu]6789([Cu]%10%11([Fe]136([Fe]247%10(C9=O)(C%11=O)C#[O])(C#[O])(C#[O])C8=O)[N]#CC)([N]#CC)C5=O)(C#[O])C#[O]
• Title of publication: Semiconducting Tellurium-Iron-Copper Carbonyl Polymers
• Authors of publication: Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Bo-Gaun Chen; Yen-Yi Chu; Chia-Yeh Miu; Hsiang-Lin Liu; Chih-Chiang Shen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14114 - 14116
• a: 12.1878 ± 0.0003 Å
• b: 12.6552 ± 0.0003 Å
• c: 13.4231 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2070.37 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No