Information card for entry 7010287

Structure parameters

• Formula: C42 H42 Cl Cu P2
• Calculated formula: C42 H42 Cl Cu P2
• SMILES: [Cu](Cl)([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: 25.4813 ± 0.0003 Å
• b: 12.2113 ± 0.0001 Å
• c: 25.1532 ± 0.0003 Å
• α: 90°
• β: 109.571 ± 0.001°
• γ: 90°
• Cell volume: 7374.5 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No