Information card for entry 1568459

Structure parameters

• Chemical name: Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum
• Formula: C20.5 H16 Cl N3 O2 Pt
• Calculated formula: C20.5 H16 Cl N3 O2 Pt
• SMILES: CCOC(=O)c1cc2c3cccc[n]3[Pt]3(c2c(c1)c1cccc[n]31)C#N.C(Cl)Cl
• Title of publication: Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.
• Authors of publication: Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.
• Journal of publication: Faraday discussions
• Year of publication: 2023
• Journal volume: 244
• Journal issue: 0
• Pages of publication: 411 - 433
• a: 7.273 ± 0.0002 Å
• b: 11.5993 ± 0.0002 Å
• c: 21.8397 ± 0.0004 Å
• α: 87.882 ± 0.002°
• β: 85.973 ± 0.002°
• γ: 83.861 ± 0.002°
• Cell volume: 1826.54 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No