Information card for entry 7002496

Structure parameters

• Formula: C58 H51 N3 O P2 Pt S2
• Calculated formula: C58 H51 N3 O P2 Pt S2
• SMILES: C1C(CS[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1)C(=O)Nc1ccc(cc1)N=Nc1ccccc1.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: 19.2645 ± 0.0014 Å
• b: 14.7195 ± 0.0009 Å
• c: 19.8911 ± 0.0019 Å
• α: 90°
• β: 116.214 ± 0.007°
• γ: 90°
• Cell volume: 5060.3 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No