Information card for entry 4303616

Structure parameters

• Formula: C25 H40 Cu Fe3 I N2 O9 Te
• Calculated formula: C25 H40 Cu Fe3 I N2 O9 Te
• SMILES: I[Cu]1234[Fe]56([Te]7[Fe]15([Fe]67(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C4=O)(C2=O)(C#[O])C3=O.[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: 9.4787 ± 0.0002 Å
• b: 10.2155 ± 0.0002 Å
• c: 19.0383 ± 0.0004 Å
• α: 82.241 ± 0.001°
• β: 79.68 ± 0.001°
• γ: 88.79 ± 0.001°
• Cell volume: 1797.04 ± 0.06 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: 0.0605
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No