Information card for entry 7034847

Structure parameters

• Formula: C36 H35 N3 O2 Pt
• Calculated formula: C36 H35 N3 O2 Pt
• SMILES: [Pt]12(=C3N(c4c1cccc4)N=CN3Cc1ccccc1)OC(=CC(=[O]2)c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C
• Title of publication: C^C* cyclometalated platinum(ii) N-heterocyclic carbene complexes with a sterically demanding β-diketonato ligand - synthesis, characterization and photophysical properties.
• Authors of publication: Tenne, M.; Metz, S.; Wagenblast, G.; Münster, Ingo; Strassner, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8444 - 8455
• a: 15.575 ± 0.002 Å
• b: 11.872 ± 0.004 Å
• c: 21.594 ± 0.006 Å
• α: 90°
• β: 127.7 ± 0.02°
• γ: 90°
• Cell volume: 3159.3 ± 1.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No