Information card for entry 4343103

Structure parameters

• Formula: C286 H240 F12 N12 O24 P12 Pt6 S4
• Calculated formula: C286 H240 F12 N12 O24 P12 Pt6 S4
• SMILES: [Pt]12([n]3ccc(cc3)C#Cc3c(OC)c4C#Cc5cc[n]([Pt]6([n]7ccc(cc7)C#Cc7c(OC)c8C#Cc9cc[n]([Pt]%10([n]%11ccc(cc%11)C#Cc%11c(c(c(c(C#Cc%12cc[n]1cc%12)c%11OC)OC)C#Cc1cc[n]([Pt]%11([n]%12ccc(cc%12)C#Cc%12c(c(c(c(C#Cc%13cc[n]([Pt]%14([n]%15ccc(cc%15)C#Cc(c4OC)c3OC)[P](CCC[P]%14(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc%13)c%12OC)OC)C#Cc3cc[n]([Pt]4([n]%12ccc(cc%12)C#Cc(c8OC)c7OC)[P](CCC[P]4(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)cc3)OC)[P](CCC[P]%11(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc1)OC)[P](CCC[P]%10(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc9)[P](CCC[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc5)[P](CCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: DOSY NMR, X-ray Structural and Ion-Mobility Mass Spectrometric Studies on Electron-Deficient and Electron-Rich M6L4 Coordination Cages.
• Authors of publication: Bonakdarzadeh, Pia; Topić, Filip; Kalenius, Elina; Bhowmik, Sandip; Sato, Sota; Groessl, Michael; Knochenmuss, Richard; Rissanen, Kari
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 6055 - 6061
• a: 27.009 ± 0.005 Å
• b: 27.449 ± 0.006 Å
• c: 44.478 ± 0.009 Å
• α: 91.33 ± 0.03°
• β: 106.35 ± 0.03°
• γ: 118.99 ± 0.03°
• Cell volume: 27171 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.96 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No