Information card for entry 4327760

Structure parameters

• Formula: C28 H48 Cu2 I2 N2 P2
• Calculated formula: C28 H48 Cu2 I2 N2 P2
• SMILES: [Cu]123([Cu]4([I]1)([I]2)[n]1ccccc1C[P]4(C(C)(C)C)C(C)(C)C)[n]1ccccc1C[P]3(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: 12.6422 ± 0.0016 Å
• b: 13.595 ± 0.002 Å
• c: 20.171 ± 0.003 Å
• α: 90°
• β: 90.725 ± 0.015°
• γ: 90°
• Cell volume: 3466.5 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.43
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No