Information card for entry 4082826

Structure parameters

• Formula: C107 F3 N10 O25 Ru4 S5
• Calculated formula: C107 F3 N10 O25 Ru4 S5
• SMILES: C1(=C2SC3=C(c4c[n](ccc4)[Ru]456789([c]%10([cH]8[cH]7[c]6([cH]5[cH]4%10)C(C)C)C)Oc4c(cc5c(c4)O[Ru]4678%10([c]%11([cH]%10[cH]8[c]7([cH]6[cH]4%11)C(C)C)C)(O5)[n]4cc3ccc4)O9)S2)SC2=C(c3c[n](ccc3)[Ru]345678([c]9(C)[cH]3[cH]4[c]5([cH]6[cH]79)C(C)C)Oc3c(cc4c(c3)O[Ru]35679([c]%10(C)[cH]3[cH]5[c]6([cH]7[cH]9%10)C(C)C)(O4)[n]3cc2ccc3)O8)S1.c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.C(F)(F)(F)S(=O)(=O)[O-].CCCCC.CCCCC.CCCCC
• Title of publication: Electron-Rich Arene‒Ruthenium Metalla-architectures Incorporating Tetrapyridyl‒Tetrathiafulvene Donor Moieties
• Authors of publication: Vajpayee, Vaishali; Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Popp, Brian V.; Garci, Amine; Therrien, Bruno; Sallé, Marc
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1651
• a: 16.79 ± 0.003 Å
• b: 17.573 ± 0.003 Å
• c: 20.19 ± 0.003 Å
• α: 97.31 ± 0.02°
• β: 112.75 ± 0.02°
• γ: 90.21 ± 0.02°
• Cell volume: 5439.9 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3278
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.3207
• Weighted residual factors for all reflections included in the refinement: 0.4447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No