Information card for entry 4327765

Structure parameters

• Formula: C20 H32 Cu4 I4 N2 P2
• Calculated formula: C20 H32 Cu4 I4 N2 P2
• SMILES: c1cccc2[n]1[Cu]1345[I][Cu]6781[I]13[Cu]398([I][Cu]519([I]463)[P](C2)(CC)CC)[n]1ccccc1C[P]7(CC)CC
• 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: 9.415 ± 0.005 Å
• b: 10.018 ± 0.006 Å
• c: 10.21 ± 0.006 Å
• α: 69.313 ± 0.008°
• β: 66.662 ± 0.008°
• γ: 62.806 ± 0.007°
• Cell volume: 768.8 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.435
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No