Information card for entry 4323839

Structure parameters

• Formula: C42 H42 Br2 Cu2 P2
• Calculated formula: C42 H42 Br2 Cu2 P2
• SMILES: [P]([Cu][P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.Br[Cu][Br-]
• Title of publication: Reactions of Copper(I) Halides with Tertiary Phosphines. The Unique Structure of [Cu(tribenzylphosphine)2][CuBr2]
• Authors of publication: Pericles D. Akrivos; Petros P. Karagiannidis; Catherine P. Raptopoulou; Aris Terzis; Stefan Stoyanov
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4082 - 4083
• a: 13.8294 ± 0.0013 Å
• b: 13.8294 ± 0.0013 Å
• c: 17.429 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2886.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.0657
• Goodness-of-fit parameter for all reflections: 1.276
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No