Information card for entry 4310207

Structure parameters

• Formula: C50 H50 Br2 Cu2 N4 P2
• Calculated formula: C50 H50 Br2 Cu2 N4 P2
• SMILES: [Br]1[Cu]([Br][Cu]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(N(C)C)cc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(N(C)C)cc1
• 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: 10.074 ± 0.005 Å
• b: 14.565 ± 0.006 Å
• c: 17.902 ± 0.006 Å
• α: 65.15 ± 0.02°
• β: 83.19 ± 0.03°
• γ: 87.93 ± 0.03°
• Cell volume: 2366.4 ± 1.8 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.776
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No