Information card for entry 1565932

Structure parameters

• Formula: C76 H90 P2 Pt2 S4
• Calculated formula: C76 H90 P2 Pt2 S4
• SMILES: C12(CC3CC(C1)CC(C2)C3)[S]1[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)(SC23CC4CC(C2)CC(C3)C4)[S](C23CC4CC(C2)CC(C3)C4)[Pt]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)SC12CC3CC(C1)CC(C2)C3
• Title of publication: Atomically precise structures of Pt₂(S-Adam)₄(PPh₃)₂ complexes and catalytic application in propane dehydrogenation.
• Authors of publication: Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui
• Journal of publication: Nanoscale
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2482 - 2489
• a: 14.31 ± 0.003 Å
• b: 17.506 ± 0.004 Å
• c: 14.665 ± 0.003 Å
• α: 90°
• β: 100.92 ± 0.03°
• γ: 90°
• Cell volume: 3607.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No