Information card for entry 7716049

Structure parameters

• Formula: C39 H40 N2 O3 Pt
• Calculated formula: C39 H40 N2 O3 Pt
• SMILES: [Pt]12(=C3N(OCc4ccccc4)C(C)=C(N3c3c2cccc3)C)OC(=CC(=[O]1)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
• Title of publication: Synthesis and characterization of Pt(II) and Au(I) complexes with <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).
• Authors of publication: Benin, Alice; Kollar, Joshua Immanuel; Riesebeck, Tim; Wurl, Felix; Graiff, Claudia; Strassner, Thomas; Tubaro, Cristina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9323 - 9329
• a: 7.0873 ± 0.0004 Å
• b: 15.5352 ± 0.001 Å
• c: 15.6123 ± 0.001 Å
• α: 73.911 ± 0.002°
• β: 87.614 ± 0.002°
• γ: 87.428 ± 0.002°
• Cell volume: 1649.2 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• 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: 0.0156
• Residual factor for significantly intense reflections: 0.0147
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No