Information card for entry 2009399

Structure parameters

• Chemical name: 4-Phenyl-1,2-dithia-3,5-diazolinium bis(maleonitrliedithiolato)platinum
• Formula: C22 H10 N8 Pt S8
• Calculated formula: C22 H10 N8 Pt S8
• SMILES: C1(=C(C#N)S[Pt]2(S1)SC(=C(C#N)S2)C#N)C#N.c1(ns[s+]n1)c1ccccc1.c1(ns[s+]n1)c1ccccc1
• Title of publication: Structures of [PhCNSSN]~2~[Pt(mnt)~2~] and [(<i>p</i>-ClC~6~H~4~CNSSN)~2~Cl][Pt(mnt)~2~] (mnt = maleonitriledithiolato ligand)
• Authors of publication: Clegg, William; Birkby, Sara L.; Banister, Arthur J.; Rawson, Jeremy M.; Wait, Simon, T.; Rizkallah, Pierre; Harding, Marjorie M.; Blake, Alexander J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 28 - 33
• a: 6.624 ± 0.002 Å
• b: 10.165 ± 0.003 Å
• c: 10.549 ± 0.003 Å
• α: 85.21 ± 0.03°
• β: 76.84 ± 0.011°
• γ: 79.726 ± 0.009°
• Cell volume: 679.9 ± 0.3 ų
• Cell temperature: 295 ± 10 K
• Ambient diffraction temperature: 295 ± 10 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.0998
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.91 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No