Information card for entry 1568457

Structure parameters

• Chemical name: Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum
• Formula: C19 H13 N3 O8 Pt
• Calculated formula: C19 H13 N3 O8 Pt
• 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: 35.828 ± 0.002 Å
• b: 18.4081 ± 0.0009 Å
• c: 6.6356 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4376.3 ± 0.4 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No