Information card for entry 4327434

Structure parameters

• Common name: Pt(Hdepdt)2-DMAC
• Formula: C24 H40 N6 O2 Pt S4
• Calculated formula: C24 H40 N6 O2 Pt S4
• SMILES: C(=O)(N(C)C)C.[Pt]12(Sc3c([nH]c(c(CC)n3)CC)=[S]1)[S]=c1c(nc(c(CC)[nH]1)CC)S2.C(=O)(N(C)C)C
• Title of publication: Synthesis, Structure, and Cooperative Proton-Electron Transfer Reaction of Bis(5,6-diethylpyrazinedithiolato)metal Complexes (M = Ni, Pd, Pt)
• Authors of publication: Takashi Kubo; Misako Ohsahi; Katsuaki Miyazaki; Akio Ichimura; Kazuhiro Nakasuji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7301 - 7307
• a: 15.905 ± 0.015 Å
• b: 12.227 ± 0.009 Å
• c: 15.752 ± 0.014 Å
• α: 90°
• β: 97.07 ± 0.03°
• γ: 90°
• Cell volume: 3040 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No