Information card for entry 4347437

Structure parameters

• Formula: C58 H46 Cu2 I2 N2 P4
• Calculated formula: C58 H46 Cu2 I2 N2 P4
• SMILES: [I]1[Cu]23([I][Cu]412[P](c1ccccc1)(c1ccccc1)c1ncccc1[P]4(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ncccc1[P]3(c1ccccc1)c1ccccc1
• 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: 11.2578 ± 0.0004 Å
• b: 18.9921 ± 0.0007 Å
• c: 11.9431 ± 0.0004 Å
• α: 90°
• β: 97.833 ± 0.002°
• γ: 90°
• Cell volume: 2529.72 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No