Information card for entry 7021518

Structure parameters

• Formula: C56 H58 N4 O4 Pt2
• Calculated formula: C56 H58 N4 O4 Pt2
• SMILES: C12=[Pt]3(c4c(cc5c(c4)N4C(=[Pt]65OC(=CC(=[O]6)c5c(C)cc(C)cc5C)c5c(cc(C)cc5C)C)N(C=C4)C)N1C=CN2C)OC(=CC(=[O]3)c1c(C)cc(cc1C)C)c1c(cc(C)cc1C)C
• Title of publication: (C^C*) Cyclometalated binuclear N-heterocyclic biscarbene platinum(ii) complexes - highly emissive phosphorescent emitters.
• Authors of publication: Tronnier, Alexander; Strassner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9847 - 9851
• a: 11.342 ± 0.002 Å
• b: 19.88 ± 0.003 Å
• c: 12.638 ± 0.0014 Å
• α: 90°
• β: 101.411 ± 0.009°
• γ: 90°
• Cell volume: 2793.3 ± 0.7 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No