Information card for entry 7001473

Structure parameters

• Common name: Bis-(1,1'-di-isopropyl-3,3'-methylene-diimidazoline-2,2'- diylidene) platinum(ii) dibromide
• Chemical name: Bis-(1,1'-di-isopropyl-3,3'-methylene-diimidazoline-2,2'-diylidene) platinum(II) dibromide
• Formula: C38 H76 Br2 N8 O6 Pt S6
• Calculated formula: C30 H52 Br2 N8 O2 Pt S2
• SMILES: S(=O)(C)C.[Br-].[Pt]12(=C3N(C=CN3C(C)C)CN3C=1N(C=C3)C(C)C)=C1N(C=CN1C(C)C)CN1C=2N(C=C1)C(C)C.S(=O)(C)C.[Br-]
• Title of publication: Near-UV phosphorescent emitters: N-heterocyclic platinum(ii) tetracarbene complexes
• Authors of publication: Unger, Yvonne; Zeller, Alexander; Taige, Maria A.; Strassner, Thomas
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4786 - 4794
• a: 11.896 ± 0.0014 Å
• b: 11.985 ± 0.002 Å
• c: 12.036 ± 0.002 Å
• α: 71.532 ± 0.012°
• β: 61.951 ± 0.012°
• γ: 83.852 ± 0.013°
• Cell volume: 1434.7 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No