Information card for entry 4303615

Structure parameters

• Formula: C25 H40 Br Cu Fe3 N2 O9 Te
• Calculated formula: C25 H40 Br Cu Fe3 N2 O9 Te
• SMILES: C1(=O)[Fe]2345(C(=O)[Cu]615(C(=O)[Fe]146(C#[O])(C#[O])[Te]2[Fe]31(C#[O])(C#[O])C#[O])Br)C#[O].C(C)[N+](CC)(CC)CC.C(C)[N+](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: 9.0411 ± 0.0001 Å
• b: 20.2015 ± 0.0003 Å
• c: 21.3876 ± 0.0004 Å
• α: 65.656 ± 0.001°
• β: 89.869 ± 0.001°
• γ: 82.329 ± 0.001°
• Cell volume: 3521.12 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No