Information card for entry 4335454

Structure parameters

• Formula: C40 H60 Cu4 I4 P4
• Calculated formula: C40 H60 Cu4 I4 P4
• SMILES: C(C)(C)[P@@](C)(c1ccccc1)[Cu]12[I]3[Cu]4([P@@](c5ccccc5)(C)C(C)C)[I]1[Cu]1([P@](C(C)C)(C)c5ccccc5)[I]2[Cu]3([P@](C(C)C)(C)c2ccccc2)[I]14
• Title of publication: Luminescent P-Chirogenic Copper Clusters
• Authors of publication: Antony Lapprand; Mathieu Dutartre; Naïma Khiri; Etienne Levert; Daniel Fortin; Yoann Rousselin; Armand Soldera; Sylvain Jugé; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7958 - 7967
• a: 14.4077 ± 0.0003 Å
• b: 11.9085 ± 0.0003 Å
• c: 14.8739 ± 0.0003 Å
• α: 90°
• β: 95.103 ± 0.001°
• γ: 90°
• Cell volume: 2541.86 ± 0.1 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No