Information card for entry 7037437

Structure parameters

• Formula: C30 H29 Cu2 Fe2 I2 N Se2
• Calculated formula: C30 H29 Cu2 Fe2 I2 N 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: 10.433 ± 0.002 Å
• b: 10.947 ± 0.002 Å
• c: 14.418 ± 0.003 Å
• α: 104.744 ± 0.003°
• β: 90.7 ± 0.03°
• γ: 91.65 ± 0.03°
• Cell volume: 1591.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No