Information card for entry 7021200

Structure parameters

• Formula: C45 H41 B Cl3 N5 Pt
• Calculated formula: C45 H41 B Cl3 N5 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1cccc3)=C1N(C)C=CN1CN1C=2N(C=C1)C.ClC(Cl)Cl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Highly emissive platinum(ii) complexes bearing carbene and cyclometalated ligands.
• Authors of publication: Uesugi, Haruka; Tsukuda, Toshiaki; Takao, Koichiro; Tsubomura, Taro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7396 - 7403
• a: 11.777 ± 0.003 Å
• b: 14.164 ± 0.004 Å
• c: 14.389 ± 0.004 Å
• α: 113.118 ± 0.007°
• β: 101.147 ± 0.006°
• γ: 99.392 ± 0.006°
• Cell volume: 2088.4 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No