Information card for entry 7002487

Structure parameters

• Formula: C28 H21 P S
• Calculated formula: C28 H21 P S
• SMILES: P(c1cccc2cccc(c12)Sc1ccccc1)(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: 11.1461 ± 0.0012 Å
• b: 8.8914 ± 0.001 Å
• c: 21.587 ± 0.002 Å
• α: 90°
• β: 90.837 ± 0.004°
• γ: 90°
• Cell volume: 2139.1 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No