Information card for entry 4327763

Structure parameters

• Formula: C24 H40 Cu4 I4 N2 P2
• Calculated formula: C24 H40 Cu4 I4 N2 P2
• SMILES: C1[P](C(C)C)(C(C)C)[Cu]2345[I][Cu]6782[I]23[Cu]395([I][Cu]829([I]463)[P](Cc2cccc[n]72)(C(C)C)C(C)C)[n]2ccccc12
• Title of publication: Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors
• Authors of publication: Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 230 - 236
• a: 10.5492 ± 0.0015 Å
• b: 9.4558 ± 0.0013 Å
• c: 17.416 ± 0.002 Å
• α: 90°
• β: 100.709 ± 0.002°
• γ: 90°
• Cell volume: 1707 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.461
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No