Information card for entry 7016239

Structure parameters

• Formula: C46 H18 B Br Cl F20 N3 O Pt
• Calculated formula: C46 H18 B Br Cl F20 N3 O Pt
• SMILES: [Pt]12([n]3ccccc3c3cc(c4ccc(Br)cc4)cc([n]13)c1cccc[n]21)Cl.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.CO
• Title of publication: Facile synthesis and platinum complexes of 4',5,5''-trisubstituted-2,2':6',2''-terpyridines.
• Authors of publication: Huo, Jianqiang; Arulsamy, Navamoney; Hoberg, John O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7534 - 7540
• a: 11.1398 ± 0.0002 Å
• b: 13.2632 ± 0.0002 Å
• c: 16.2501 ± 0.0002 Å
• α: 68.13 ± 0.001°
• β: 73.387 ± 0.001°
• γ: 82.659 ± 0.001°
• Cell volume: 2134.53 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No