Information card for entry 7712884

Structure parameters

• Formula: C29 H37 B F4 N4 O2 Pt
• Calculated formula: C29 H37 B F4 N4 O2 Pt
• SMILES: [Pt]12([N]3=C(C=c4n1c(c(c4CC)CC)=CC1=[N]2C(=O)C(=C1C)CC)C(=C(CC)C3=O)C)C#[N]C(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Multicenter interactions and ligand field effects in platinum(ii) tripyrrindione radicals
• Authors of publication: Tomat, Elisa; Curtis, Clayton J.; Astashkin, Andrei V.; Conradie, Jeanet; Ghosh, Abhik
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.055 ± 0.0004 Å
• b: 9.2569 ± 0.0003 Å
• c: 24.1295 ± 0.0007 Å
• α: 90°
• β: 95.954 ± 0.001°
• γ: 90°
• Cell volume: 2900.29 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No