Information card for entry 7013812

Structure parameters

• Formula: C36 H28 Fe N2 P2 Pt S2
• Calculated formula: C36 H28 Fe N2 P2 Pt S2
• SMILES: [Pt]12(SC(=N\C#N)/S1)[P]([c]13[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterisation of cyanodithioimidocarbonate [C2N2S2]2- complexes.
• Authors of publication: Burchell, Colin J.; Aucott, Stephen M.; Milton, Heather L.; Slawin, Alexandra M. Z.; Derek Woollins, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 369 - 374
• a: 9.3113 ± 0.0013 Å
• b: 9.5996 ± 0.0013 Å
• c: 18.07 ± 0.002 Å
• α: 99.062 ± 0.002°
• β: 95.808 ± 0.002°
• γ: 101.906 ± 0.002°
• Cell volume: 1545.7 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No