Information card for entry 4069480

Structure parameters

• Formula: C12 H12 N2 Pt S2
• Calculated formula: C12 H12 N2 Pt S2
• SMILES: [Pt]1234(SC(=C(S1)C#N)C#N)[C]1(=[C]2([C]3(=[C]41C)C)C)C
• Title of publication: Platinum Dithiolene Complexes of π-Coordinating and π-Interacting η4-Cyclobutadiene Ligands
• Authors of publication: Nomura, Mitsushiro; Fujii, Takashi; Kajitani, Masatsugu
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3776
• a: 7.8569 ± 0.0007 Å
• b: 16.072 ± 0.0013 Å
• c: 11.4186 ± 0.001 Å
• α: 90°
• β: 94.119 ± 0.0015°
• γ: 90°
• Cell volume: 1438.2 ± 0.2 ų
• Cell temperature: 298.1 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 significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No