Information card for entry 7020676

Structure parameters

• Formula: C32 H26 N2 Pt S8
• Calculated formula: C32 H26 N2 Pt S8
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)(C#CC1=C(SC(S1)=C1SC(=C(S1)C)C)C)C#CC1=C(SC(S1)=C1SC(=C(S1)C)C)C
• 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: 12.2927 ± 0.0004 Å
• b: 20.7303 ± 0.0007 Å
• c: 13.1062 ± 0.0004 Å
• α: 90°
• β: 106.726 ± 0.001°
• γ: 90°
• Cell volume: 3198.57 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No