Information card for entry 2207655

Structure parameters

• Chemical name: Di-μ-iodo-1κI:2κI-tris(tri-m-tolylphosphine)-1κ^2^P,P':2κP''-dicopper(I)
• Formula: C63 H63 Cu2 I2 P3
• Calculated formula: C63 H63 Cu2 I2 P3
• SMILES: [Cu]1([I][Cu]([I]1)([P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C
• Title of publication: Di-μ-iodo-1κ<i>I</i>:2κ<i>I</i>-tris(tri-<i>m</i>-tolylphosphine)-1κ^2^<i>P</i>,<i>P</i>':2κ<i>P</i>''-dicopper(I): a new polymorph
• Authors of publication: G. M. Golzar Hossain; Afroza Banu; Zaki S. Seddigi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2629 - m2630
• a: 11.677 ± 0.0001 Å
• b: 13.5461 ± 0.0001 Å
• c: 19.063 ± 0.0003 Å
• α: 86.022 ± 0.0005°
• β: 86.1216 ± 0.0005°
• γ: 72.6081 ± 0.0005°
• Cell volume: 2867.07 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes