Information card for entry 4347436

Structure parameters

• Formula: C60 H48 Cu2 I2 P4
• Calculated formula: C60 H48 Cu2 I2 P4
• SMILES: [I]1[Cu]23([I][Cu]412[P](c1ccccc1)(c1ccccc1)c1c([P]4(c2ccccc2)c2ccccc2)cccc1)[P](c1ccccc1)(c1ccccc1)c1c([P]3(c2ccccc2)c2ccccc2)cccc1
• Title of publication: Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.
• Authors of publication: Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5227 - 5236
• a: 11.506 ± 0.002 Å
• b: 19.009 ± 0.003 Å
• c: 23.954 ± 0.005 Å
• α: 90°
• β: 98.401 ± 0.002°
• γ: 90°
• Cell volume: 5182.9 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0607
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No