Information card for entry 7004834

Structure parameters

• Common name: [Pt{4'-(Ph)terpy}CN]BF4
• Formula: C24 H18 B F4 N5 Pt
• Calculated formula: C24 H18 B F4 N5 Pt
• SMILES: [Pt]12([n]3ccccc3c3cc(cc([n]13)c1cccc[n]21)c1ccccc1)C#N.[B](F)(F)(F)[F-].N#CC
• Title of publication: Synthesis, electrochemistry and luminescence of [Pt{4'-(R)trpy}(CN)](+) (R = Ph, o-CH(3)C(6)H(4), o-ClC(6)H(4) or o-CF(3)C(6)H(4); trpy = 2,2':6',2''-terpyridine): crystal structure of [Pt{4'-(Ph)trpy}(CN)]BF(4) x CH(3)CN.
• Authors of publication: Field, John S.; Haines, Raymond J.; Ledwaba, Lesibana P.; McGuire, Jr, Robert; Munro, Orde Q.; Low, Murray R.; McMillin, David R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 2
• Pages of publication: 192 - 199
• a: 7.304 ± 0.003 Å
• b: 13.015 ± 0.003 Å
• c: 13.057 ± 0.003 Å
• α: 72.148 ± 0.019°
• β: 76.32 ± 0.03°
• γ: 81.02 ± 0.03°
• Cell volume: 1143.2 ± 0.6 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No