Information card for entry 7037435

Structure parameters

• Formula: C21 H20 Cu Fe2 I Se2
• Calculated formula: C21 H20 Cu Fe2 I Se2
• 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: 7.219 ± 0.002 Å
• b: 11.326 ± 0.003 Å
• c: 14.135 ± 0.004 Å
• α: 106.724 ± 0.003°
• β: 101.129 ± 0.003°
• γ: 93.864 ± 0.003°
• Cell volume: 1076.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No