Information card for entry 7002485

Structure parameters

• Formula: C56 H42 Br2 Cu2 P2 S2
• Calculated formula: C56 H42 Br2 Cu2 P2 S2
• SMILES: [Br]1[Cu]2([P](c3cccc4cccc([S]2c2ccccc2)c34)(c2ccccc2)c2ccccc2)[Br][Cu]21[P](c1cccc3cccc([S]2c2ccccc2)c13)(c1ccccc1)c1ccccc1
• Title of publication: Controlling Cu⋯Cu distances using halides: (8-phenylthionaphth-1-yl)diphenylphosphine copper halide dimers
• Authors of publication: Knight, Fergus R.; Fuller, Amy L.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8476 - 8478
• a: 10.218 ± 0.002 Å
• b: 10.4 ± 0.003 Å
• c: 11.69 ± 0.003 Å
• α: 76.18 ± 0.02°
• β: 80.2 ± 0.02°
• γ: 74.909 ± 0.018°
• Cell volume: 1156.9 ± 0.5 ų
• Cell temperature: 125.1 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: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No