Information card for entry 7002486

Structure parameters

• Formula: C56 H42 Cu2 I2 P2 S2
• Calculated formula: C56 H42 Cu2 I2 P2 S2
• SMILES: [I]1[Cu]2([I][Cu]31[P](c1cccc4cccc([S]3c3ccccc3)c14)(c1ccccc1)c1ccccc1)[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: 10.3416 ± 0.0017 Å
• b: 10.6256 ± 0.0013 Å
• c: 11.988 ± 0.002 Å
• α: 73.87 ± 0.02°
• β: 77.76 ± 0.02°
• γ: 73.326 ± 0.018°
• Cell volume: 1199.7 ± 0.4 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: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No