Information card for entry 4115426

Structure parameters

• Formula: C63 H54 Ag2 Cl2 N6 O11 Pt3 S6
• Calculated formula: C63 H54 Ag2 Cl2 N6 O11 Pt3 S6
• SMILES: [Pt]12([Ag]3([Pt]456([Ag]7([Pt]89(c%10ccsc%10c%10[n]8cccc%10)[n]8c(C%10SC=C[C]79=%10)cccc8)([O]=C(C)C)[C]75C=CSC=7c5[n]4cccc5)[n]4c(C5SC=C[C]36=5)cccc4)[O]=C(C)C)([n]3c(c4sccc14)cccc3)[n]1c(c3sccc23)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=C(C)C
• Title of publication: A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond
• Authors of publication: Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 743 - 744
• a: 16.7243 ± 0.0009 Å
• b: 23.9731 ± 0.0012 Å
• c: 16.9345 ± 0.0009 Å
• α: 90°
• β: 90.625 ± 0.001°
• γ: 90°
• Cell volume: 6789.2 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.63
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No