Information card for entry 4106553

Structure parameters

• Formula: C26 H25 N O2 Pt S3
• Calculated formula: C26 H25 N O2 Pt S3
• SMILES: c1cccc2c3c([Pt]4([n]12)OC(=CC(=[O]4)C)C)c(c(c1c(C)sc(c1)C)s3)c1c(C)sc(c1)C
• Title of publication: Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design
• Authors of publication: Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12690 - 12705
• a: 15.3344 ± 0.0008 Å
• b: 11.4973 ± 0.0006 Å
• c: 14.4707 ± 0.0008 Å
• α: 90°
• β: 97.947 ± 0.01°
• γ: 90°
• Cell volume: 2526.7 ± 0.2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0219
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No