Information card for entry 4306849

Structure parameters

• Formula: C60 H48 Br2 Cu2 P4
• Calculated formula: C60 H48 Br2 Cu2 P4
• SMILES: [Br]1[Cu]2([Br][Cu]31[P](c1ccccc1[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes Chelated with 1,2-Bis(diphenylphosphino)benzene
• Authors of publication: Akira Tsuboyama; Katsuaki Kuge; Manabu Furugori; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1992 - 2001
• a: 11.2 ± 0.01 Å
• b: 18.73 ± 0.02 Å
• c: 12.12 ± 0.01 Å
• α: 90°
• β: 97.59 ± 0.04°
• γ: 90°
• Cell volume: 2520 ± 4 ų
• Cell temperature: 100.1 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.396
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No