Information card for entry 7022973

Structure parameters

• Formula: C28 H33 Cl N4 Pt Si2
• Calculated formula: C28 H33 Cl N4 Pt Si2
• SMILES: [Pt]12(=C3N(c4c(N3C[Si](C)(C)C)cccc4)c3cccc(N4C=2N(c2c4cccc2)C[Si](C)(C)C)c13)Cl
• Title of publication: Platinum CCC-NHC benzimidazolyl pincer complexes: synthesis, characterization, photostability, and theoretical investigation of a blue-green emitter.
• Authors of publication: Huckaba, Aron J.; Cao, Bei; Hollis, T. Keith; Valle, Henry U.; Kelly, John T.; Hammer, Nathan I.; Oliver, Allen G.; Webster, Charles Edwin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8820 - 8826
• a: 7.79 ± 0.003 Å
• b: 13.294 ± 0.005 Å
• c: 13.442 ± 0.005 Å
• α: 81.618 ± 0.004°
• β: 87.58 ± 0.004°
• γ: 86.48 ± 0.004°
• Cell volume: 1373.8 ± 0.9 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No