Information card for entry 2206521

Structure parameters

• Chemical name: Tetra-μ~3~iodo-tetrakis[(tri-tert-butylphosphine)copper(I)]
• Formula: C48 H108 Cu4 I4 P4
• Calculated formula: C48 H108 Cu4 I4 P4
• SMILES: C(C)(C)(C)[P](C(C)(C)C)(C(C)(C)C)[Cu]12[I]3[Cu]4([I]1[Cu]1([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[I]4[Cu]3([I]21)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Tetra-μ~3~-iodo-tetrakis[(tri-<i>tert</i>-butylphosphine)copper(I)]
• Authors of publication: Medina, Iliana; Mague, Joel T.; Fink, Mark J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1550 - m1552
• a: 13.878 ± 0.001 Å
• b: 13.878 ± 0.001 Å
• c: 60.239 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10047.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes