Information card for entry 8103161

Structure parameters

• Chemical name: Bis(<i>μ</i>~3~-iodo)-(<i>μ</i>~2~-iodo)-bis(<i>μ</i>~2~-bis(diphenylphosphine)ethane) -tri-copper(I) dimethylformamide solvate
• Formula: C55 H55 Cu3 I3 N O P4
• Calculated formula: C55 H55 Cu3 I3 N O P4
• SMILES: [Cu]1234[Cu]56([I]1[Cu]([I]35)([P](CC[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]6(c1ccccc1)c1ccccc1)[I]2.O=CN(C)C
• Title of publication: Crystal structure of bis(?3-iodo)-(?2-iodo)-bis(?2-bis(diphenylphosphine)ethane)tricopper(I) — dimethylformamide (1:1), Cu3I3(C26H24P2)2 · C3H7NO
• Authors of publication: Le-Qing Fan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 391
• a: 14.567 ± 0.003 Å
• b: 12.543 ± 0.003 Å
• c: 31.248 ± 0.007 Å
• α: 90°
• β: 90.278 ± 0.004°
• γ: 90°
• Cell volume: 5709 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No