Information card for entry 7037436

Structure parameters

• Formula: C21 H20 Cu2 Fe2 I2 Se2
• Calculated formula: C21 H20 Cu2 Fe2 I2 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: 16.987 ± 0.006 Å
• b: 16.987 ± 0.006 Å
• c: 16.186 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4671 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No