Information card for entry 7024465

Structure parameters

• Formula: C75 H74 F12 Fe2 N2 O3 P6 Pt2 S2
• Calculated formula: C75 H66 F12 Fe2 N2 O3 P6 Pt2 S2
• SMILES: [Pt]12([P]([c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[c]3([P]1(c1ccccc1)c1ccccc1)[cH]8[cH]9[cH]%10[cH]%113)(c1ccccc1)c1ccccc1)S[Pt]1([P]([c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[c]3([cH]8[cH]9[cH]%10[cH]%113)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[S]2CCn1c[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CO.O.O
• Title of publication: [Pt2(mu-SAz)(mu-S)]2+ (SAz = azolium thiolate) dication as an unusual source for quadruply bridging sulfide in [Ag2Pt2(mu-SAz)(mu4-S)]3+.
• Authors of publication: Li, Jingqiu; Li, Fuwei; Koh, Lip Lin; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2441 - 2448
• a: 25.0511 ± 0.0012 Å
• b: 22.982 ± 0.0011 Å
• c: 27.2339 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15679.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No