Information card for entry 4113859

Structure parameters

• Formula: C31 H29 Cl7 N6 O2 Pt2 Ru S2
• Calculated formula: C31 H29 Cl7 N6 O2 Pt2 Ru S2
• SMILES: c1ccc2c3c4c(ccc[n]4[Ru]4(C#[N][Pt](Cl)(Cl)[S](C)(C)=O)(C#[N][Pt](Cl)(Cl)[S](C)(C)=O)([n]13)[n]1cccc3c1c1c(ccc[n]41)cc3)cc2.C(Cl)(Cl)Cl
• Title of publication: A Trinuclear Heterobimetallic Ru(II)/Pt(II) Complex as a Chemodosimeter Selective for Sulfhydryl-Containing Amino Acids and Peptides
• Authors of publication: Cheuk-Fai Chow; Brenda K. W. Chiu; Michael H. W. Lam; Wai-Yeung Wong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7802 - 7803
• a: 13.0395 ± 0.0012 Å
• b: 18.0525 ± 0.0017 Å
• c: 17.8407 ± 0.0017 Å
• α: 90°
• β: 103.389 ± 0.002°
• γ: 90°
• Cell volume: 4085.5 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No