Information card for entry 7712307

Structure parameters

• Formula: C43.5 H53 B11 N3 O0.5 Pt
• Calculated formula: C43.5 H53 B11 N3 O0.5 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1cc(cc3)[C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[BH]456[BH]56%12[BH]%12%113[BH]3%101[BH]179[BH]845[BH]6%1231)[n]1ccc(cc1c1[n]2ccc(c1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C.O=C(C)C
• Title of publication: Platinum(II) Diimine Complexes Containing Phenylpyridine Ligands Decorated with Anionic closo-Monocarborane Clusters [CB11H12]-
• Authors of publication: Kong, Xiangjun; Shen, Yunjun; Bian, He-Dong; Zhang, Yuzhen
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.7529 ± 0.0007 Å
• b: 34.2378 ± 0.0015 Å
• c: 40.5905 ± 0.0019 Å
• α: 90°
• β: 100.113 ± 0.003°
• γ: 90°
• Cell volume: 20184 ± 1.6 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2179
• Residual factor for significantly intense reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.2835
• Weighted residual factors for all reflections included in the refinement: 0.3436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No