Information card for entry 7106594

Structure parameters

• Formula: C27 H27 B10 Br N2 Pt
• Calculated formula: C27 H27 B10 Br N2 Pt
• SMILES: [Pt]12([n]3c(c4[n]1cccc4)ccc(c3[C]1345[BH]678[BH]9%10%11[BH]%1248[BH]48%11[BH]%11%139[BH]96%10[BH]6%10%11[B]%1121([BH]4%136[C]5%128%11C)[BH]379%10)c1ccc(Br)cc1)C#Cc1ccccc1
• Title of publication: 2,2'-Bipyridinyl carboranes as B,N,N-ligands in cyclometallated complexes of platinum(II)
• Authors of publication: Anton M. Prokhorov; Pavel A. Slepukhin; Vladimir L. Rusinov; Valery N. Kalinin; Dmitry N. Kozhevnikov
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7713
• a: 17.4108 ± 0.0004 Å
• b: 16.0201 ± 0.0009 Å
• c: 21.0923 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5883.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No