Information card for entry 1542456

Structure parameters

• Common name: {[1,1'-Bis(diphenylphosphino)ferrocene]digold}sulfide methanol monosolvate
• Chemical name: μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ<i>P</i>,<i>P</i>']gold} methanol monosolvate
• Formula: C35 H32 Au2 Fe O P2 S
• Calculated formula: C35 H32 Au2 Fe O P2 S
• SMILES: [Au]12[Au](S1)[P]([c]13[Fe]456789%10([c]%11([P]2(c2ccccc2)c2ccccc2)[cH]4[cH]5[cH]6[cH]7%11)[cH]1[cH]8[cH]9[cH]3%10)(c1ccccc1)c1ccccc1.OC
• Title of publication: μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>']gold} methanol monosolvate
• Authors of publication: Itai, Takuma; Kojima, Tatsuhiro; Konno, Takumi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x152492
• a: 13.7434 ± 0.0013 Å
• b: 12.6277 ± 0.0013 Å
• c: 18.763 ± 0.0018 Å
• α: 90°
• β: 98.352 ± 0.007°
• γ: 90°
• Cell volume: 3221.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes