Information card for entry 7002484

Structure parameters

• Formula: C56 H42 Cl2 Cu2 P2 S2
• Calculated formula: C56 H42 Cl2 Cu2 P2 S2
• SMILES: c12cccc3cccc([S](c4ccccc4)[Cu]4([P]1(c1ccccc1)c1ccccc1)[Cl][Cu]1([P](c5cccc6cccc([S]1c1ccccc1)c56)(c1ccccc1)c1ccccc1)[Cl]4)c23
• 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: 10.1201 ± 0.0012 Å
• b: 10.3276 ± 0.0013 Å
• c: 11.61 ± 0.0016 Å
• α: 77.472 ± 0.009°
• β: 81.445 ± 0.01°
• γ: 75.144 ± 0.01°
• Cell volume: 1139.4 ± 0.3 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: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.2734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No