Information card for entry 4348766

Structure parameters

• Formula: C144 H300 Pt6 S12
• Calculated formula: C144 H300 Pt6 S12
• SMILES: [S]1(CCCCCCCCCCCC)[Pt]23[S](CCCCCCCCCCCC)[Pt]41[S](CCCCCCCCCCCC)[Pt]1([S](CCCCCCCCCCCC)[Pt]5([S](CCCCCCCCCCCC)[Pt]6([S]5CCCCCCCCCCCC)[S](CCCCCCCCCCCC)[Pt]([S]6CCCCCCCCCCCC)([S]3CCCCCCCCCCCC)[S]2CCCCCCCCCCCC)[S]1CCCCCCCCCCCC)[S]4CCCCCCCCCCCC
• Title of publication: Hexanuclear Platinum(II) Thiolate Macrocyclic Host: Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.
• Authors of publication: Shichibu, Yukatsu; Yoshida, Keisuke; Konishi, Katsuaki
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9147 - 9149
• a: 11.7859 ± 0.0005 Å
• b: 17.5279 ± 0.0008 Å
• c: 20.5802 ± 0.0009 Å
• α: 103.31 ± 0.0006°
• β: 95.3031 ± 0.0006°
• γ: 105.31 ± 0.0006°
• Cell volume: 3936.9 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No