Information card for entry 4306851

Structure parameters

• Formula: C48 H40 Cu I P3
• Calculated formula: C48 H39 Cu I P3
• SMILES: I[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2[P]1(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: 15.11 ± 0.01 Å
• b: 14.67 ± 0.01 Å
• c: 18.33 ± 0.02 Å
• α: 90°
• β: 99.6 ± 0.04°
• γ: 90°
• Cell volume: 4006 ± 6 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: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No