Information card for entry 4107766

Structure parameters

• Formula: C18 H36 Cl2 N4 Pt S4 Zn2
• Calculated formula: C18 H36 Cl2 N4 Pt S4 Zn2
• SMILES: [Pt]12([S]3[Zn]45(Cl)[S]1CC[N]15CCC[N]4(CC3)CC1)[S]1[Zn]34(Cl)[S]2CC[N]24CCC[N]3(CC1)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: 13.0193 ± 0.0015 Å
• b: 14.7971 ± 0.0017 Å
• c: 26.831 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5168.9 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No