Information card for entry 7002498

Structure parameters

• Formula: C96 H94 O8 P4 Pt2 S4
• Calculated formula: C96 H94 O8 P4 Pt2 S4
• SMILES: C1C(CS[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1)(C(=O)OCC)C(=O)OCC.c1ccccc1
• Title of publication: Photoresponsive SAMs on gold fabricated from azobenzene-functionalised asparagusic acid derivatives
• Authors of publication: Siemeling, Ulrich; Bruhn, Clemens; Bretthauer, Frauke; Borg, Marta; Träger, Frank; Vogel, Florian; Azzam, Waleed; Badin, Mihaela; Strunskus, Thomas; Wöll, Christof
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8593 - 8604
• a: 21.7209 ± 0.0016 Å
• b: 15.7228 ± 0.0007 Å
• c: 29.671 ± 0.002 Å
• α: 90°
• β: 118.562 ± 0.005°
• γ: 90°
• Cell volume: 8899.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1557
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No