Information card for entry 2008139

Structure parameters

• Common name: cuprous chloride triphenylphosphite cubane tetramer
• Chemical name: tetra-μ~3~-chloro-tetrakis[(triphenyl phosphite-P)copper(I)]
• Formula: C72 H60 Cl4 Cu4 O12 P4
• Calculated formula: C72 H60 Cl4 Cu4 O12 P4
• SMILES: [Cu]12([P](Oc3ccccc3)(Oc3ccccc3)Oc3ccccc3)[Cl]3[Cu]4([P](Oc5ccccc5)(Oc5ccccc5)Oc5ccccc5)[Cl]1[Cu]5([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[Cl]2[Cu]3([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[Cl]45
• Title of publication: Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite
• Authors of publication: Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 162 - 165
• a: 14.6643 ± 0.0002 Å
• b: 22.6409 ± 0.0003 Å
• c: 22.6645 ± 0.0001 Å
• α: 90°
• β: 107.434 ± 0.001°
• γ: 90°
• Cell volume: 7179.23 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No