Information card for entry 2211553

Structure parameters

• Chemical name: Di-μ-iodo-tris(tri-p-tolylphosphine)-1κP;2κ^2^P-dicopper(I)
• Formula: C63 H63 Cu2 I2 P3
• Calculated formula: C63 H63 Cu2 I2 P3
• SMILES: [Cu]1([I][Cu]([I]1)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Di-μ-iodo-tris(tri-<i>p</i>-tolylphosphine)-1κ<i>P</i>,2κ^2^<i>P</i>-dicopper(I)
• Authors of publication: Meijboom, Reinout
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3511 - m3513
• a: 11.033 ± 0.002 Å
• b: 13.757 ± 0.003 Å
• c: 20.732 ± 0.004 Å
• α: 94.81 ± 0.03°
• β: 90.64 ± 0.03°
• γ: 108.54 ± 0.03°
• Cell volume: 2970.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes