Information card for entry 4327762

Structure parameters

• Formula: C28 H48 Cu4 I4 N2 P2
• Calculated formula: C28 H48 Cu4 I4 N2 P2
• SMILES: c1cccc2[n]1[Cu]1345[I][Cu]6784[I]41[Cu]198([I][Cu]549([I]361)[P](C2)(C(C)(C)C)C(C)(C)C)[n]1ccccc1C[P]7(C(C)(C)C)C(C)(C)C
• 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: 11.0911 ± 0.0018 Å
• b: 9.7392 ± 0.0016 Å
• c: 17.769 ± 0.003 Å
• α: 90°
• β: 104.157 ± 0.002°
• γ: 90°
• Cell volume: 1861.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.628
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No