Information card for entry 7010286

Structure parameters

• Formula: C42 H42 Br Cu P2
• Calculated formula: C42 H42 Br Cu P2
• SMILES: [Cu](Br)([P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)[P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Structural and spectroscopic studies on three- and two-co-ordinate copper(I) halide tribenzylphosphine complexes
• Authors of publication: Ainscough, Eric W.; Brodie, Andrew M.; Burrell, Anthony K.; Freeman, Graham H.; Jameson, Geoffrey B.; Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 144
• a: 22.7747 ± 0.0004 Å
• b: 14.4082 ± 0.0002 Å
• c: 23.4308 ± 0.0005 Å
• α: 90°
• β: 100.986 ± 0.001°
• γ: 90°
• Cell volume: 7547.7 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No