Information card for entry 7020678

Structure parameters

• Formula: C62 H54 N2 P2 Pt S8
• Calculated formula: C62 H54 N2 P2 Pt S8
• SMILES: [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#CC1=C(C)SC(S1)=C1SC(=C(C)S1)C)C#CC1=C(C)SC(S1)=C1SC(=C(C)S1)C.CC#N.CC#N
• Title of publication: Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties.
• Authors of publication: Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 383 - 394
• a: 9.2106 ± 0.0009 Å
• b: 11.4614 ± 0.0009 Å
• c: 15.8523 ± 0.0013 Å
• α: 103.405 ± 0.004°
• β: 102.101 ± 0.004°
• γ: 105.756 ± 0.005°
• Cell volume: 1498.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No