Information card for entry 4310209

Structure parameters

• Formula: C60 H48 Br2 Cu2 N2 O2 P2
• Calculated formula: C60 H48 Br2 Cu2 N2 O2 P2
• SMILES: [Br]1[Cu]([Br][Cu]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(=O)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(=O)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: 9.269 ± 0.003 Å
• b: 25.572 ± 0.007 Å
• c: 11.738 ± 0.004 Å
• α: 90°
• β: 110.225 ± 0.006°
• γ: 90°
• Cell volume: 2610.7 ± 1.4 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 7
• 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: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No