Information card for entry 4310208

Structure parameters

• Formula: C60 H48 Br2 Cu2 N2 O2 P2
• Calculated formula: C60 H48 Br2 Cu2 N2 O2 P2
• SMILES: O=C(c1c[n](ccc1)[Cu]1([Br][Cu]([n]2cc(ccc2)C(=O)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Br]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands
• Authors of publication: Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9667 - 9675
• a: 8.21 ± 0.002 Å
• b: 12.632 ± 0.003 Å
• c: 13.944 ± 0.003 Å
• α: 65.776 ± 0.009°
• β: 77.72 ± 0.01°
• γ: 83.8 ± 0.01°
• Cell volume: 1288.3 ± 0.5 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No