Information card for entry 4107764

Structure parameters

• Formula: C9 H18 N2 Pt S2
• Calculated formula: C9 H18 N2 Pt S2
• SMILES: C1C[N]23CCC[N]4([Pt]3(S1)SCC4)CC2
• Title of publication: Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions
• Authors of publication: Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6272 - 6280
• a: 9.965 ± 0.004 Å
• b: 15.076 ± 0.007 Å
• c: 7.497 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1126.3 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No