Information card for entry 4303617

Structure parameters

• Formula: C25 H40 Cl2 Cu2 Fe3 N2 O9 Te
• Calculated formula: C25 H40 Cl2 Cu2 Fe3 N2 O9 Te
• SMILES: [Te]123[Cu]4567([Cu]89%10([Fe]%1114([Fe]258([Fe]3%11(C#[O])(C#[O])C#[O])(C7=O)(C%10=O)C#[O])(C#[O])(C6=O)C9=O)Cl)Cl.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Copper Halide-Incorporated Tellurium-Iron Carbonyl Complexes: Transformation, Electrochemical Properties, and Theoretical Calculations
• Authors of publication: Bo-Gaun Chen; Chia-Hua Ho; Chang-Ju Lee; Minghuey Shieh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10757 - 10768
• a: 11.1306 ± 0.0002 Å
• b: 14.5567 ± 0.0003 Å
• c: 22.3697 ± 0.0005 Å
• α: 90°
• β: 96.307 ± 0.001°
• γ: 90°
• Cell volume: 3602.51 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No