Information card for entry 7006093

Structure parameters

• Formula: C54 H47 F12 Ir N8 O12 Pt2 S6
• Calculated formula: C54 H47 F12 Ir N8 O12 Pt2 S6
• SMILES: [Ir]123456789([c]%10([cH]1[cH]2[c]3(S[Pt]12[n]3ccccc3c3cccc([n]13)c1cccc[n]21)[cH]4[cH]5%10)S[Pt]12[n]3ccccc3c3[n]1c(ccc3)c1cccc[n]21)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.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-])C(F)(F)F.C(#N)C.C(#N)C
• Title of publication: Luminescent 1D chain of platinum(II) terpyridyl units with p-dithiobenzoquinone organometallic linker: self-aggregation imparted from Pt...Pt/pi-pi interactions.
• Authors of publication: Moussa, Jamal; Man-Chung Wong, Keith; Chamoreau, Lise-Marie; Amouri, Hani; Wing-Wah Yam, Vivian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3526 - 3530
• a: 12.836 ± 0.002 Å
• b: 16.1552 ± 0.001 Å
• c: 17.537 ± 0.002 Å
• α: 69.378 ± 0.006°
• β: 89.134 ± 0.009°
• γ: 75.192 ± 0.008°
• Cell volume: 3279.3 ± 0.7 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: 0.142
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No