Information card for entry 7106593

Structure parameters

• Formula: C25 H27 B10 Cl N2 Pt
• Calculated formula: C25 H27 B10 Cl N2 Pt
• SMILES: [Pt]12([n]3ccccc3c3[n]1c([C]1456[C]789([BH]%10%11%12[BH]%13%147[BH]7%15%16[B]218%13[BH]15%16[BH]25%15[BH]%10%147[BH]7%115[BH]412[BH]69%127)c1ccccc1)c(cc3)c1ccc(cc1)C)Cl
• 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: 10.7374 ± 0.0007 Å
• b: 15.9467 ± 0.001 Å
• c: 16.1973 ± 0.0012 Å
• α: 90°
• β: 92.138 ± 0.005°
• γ: 90°
• Cell volume: 2771.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No