Information card for entry 4343104

Structure parameters

• Formula: C270 H204 F12 N12 P12 Pt6
• Calculated formula: C270 H204 F12 N12 P12 Pt6
• SMILES: [Pt]12([n]3ccc(cc3)C#Cc3c(F)c4C#Cc5cc[n]([Pt]6([n]7ccc(cc7)C#Cc7c(F)c8C#Cc9cc[n]([Pt]%10([n]%11ccc(cc%11)C#Cc%11c(c(c(c(C#Cc%12cc[n]1cc%12)c%11F)F)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(c4F)c3F)[P](CCC[P]%14(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc%13)c%12F)F)C#Cc3cc[n]([Pt]4([n]%12ccc(cc%12)C#Cc(c8F)c7F)[P](CCC[P]4(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)cc3)F)[P](CCC[P]%11(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc1)F)[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
• 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: 27.774 ± 0.006 Å
• b: 30.851 ± 0.006 Å
• c: 33.238 ± 0.007 Å
• α: 82.93 ± 0.03°
• β: 74.48 ± 0.03°
• γ: 75.43 ± 0.03°
• Cell volume: 26512 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.96 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No