Information card for entry 7025340

Structure parameters

• Chemical name: (4,4?-Dimethyl-1,1?-methylene-di-1,2,4-triazoline-5,5?-diylidene) (1??,1???-dimethyl-4??,4???-methylene-di-1,2,4-triazoline-5??,5???-diylidene) platinum(II) dibromide
• Formula: C14 H20 Br2 N12 Pt
• Calculated formula: C14 H20 Br2 N12 Pt
• SMILES: [Pt]12(=C3N(N=CN3C)CN3C=1N(C)C=N3)=C1N(N=CN1CN1C=2N(N=C1)C)C.[Br-].[Br-]
• Title of publication: Blue phosphorescent platinum(ii) tetracarbene complexes with bis(triazoline-5-ylidene) ligands.
• Authors of publication: Unger, Yvonne; Meyer, Dirk; Strassner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4295 - 4301
• a: 12.904 ± 0.001 Å
• b: 13.725 ± 0.0013 Å
• c: 14.572 ± 0.0006 Å
• α: 111.028 ± 0.008°
• β: 91.364 ± 0.005°
• γ: 92.494 ± 0.009°
• Cell volume: 2404.5 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Ambient diffracton pressure: 101.325 kPa
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No