Information card for entry 7021517

Structure parameters

• Formula: C36 H50 N4 O4 Pt2
• Calculated formula: C36 H50 N4 O4 Pt2
• SMILES: C12=[Pt]3(OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C)c3c(N1C=CN2C)cc1c(c3)N2C(=[Pt]31OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C)N(C=C2)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: 11.198 ± 0.003 Å
• b: 12.003 ± 0.002 Å
• c: 13.678 ± 0.002 Å
• α: 90°
• β: 94.38 ± 0.03°
• γ: 90°
• Cell volume: 1833.1 ± 0.6 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: 0.0275
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No