Information card for entry 7251116

Structure parameters

• Formula: C19 H13 N3 O2 Pt S
• Calculated formula: C19 H13 N3 O2 Pt S
• Title of publication: Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications
• Authors of publication: Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 46
• Pages of publication: 7498 - 7513
• a: 7.7842 ± 0.0008 Å
• b: 22.6186 ± 0.0009 Å
• c: 13.3599 ± 0.0014 Å
• α: 90°
• β: 136.167 ± 0.019°
• γ: 90°
• Cell volume: 1629.1 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No