Information card for entry 7037433

Structure parameters

• Formula: C21 H20 Cu Fe2 I Te2
• Calculated formula: C21 H20 Cu Fe2 I Te2
• Title of publication: Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.
• Authors of publication: Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1016 - 1024
• a: 7.4735 ± 0.0009 Å
• b: 11.6218 ± 0.0014 Å
• c: 13.8275 ± 0.0016 Å
• α: 104.71 ± 0.001°
• β: 100.607 ± 0.001°
• γ: 96.298 ± 0.001°
• Cell volume: 1126.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No