Information card for entry 7712305

Structure parameters

• Formula: C33 H48 B11 N3 O Pt
• Calculated formula: C30 H42 B11 N3 Pt
• SMILES: [Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[n]1c(c3ccc([C]4567[BH]89%10[BH]%11%124[BH]4%135[BH]5%146[BH]678[BH]789[BH]9%10%11[BH]%10%124[BH]4%135[BH]%1467[BH]89%104)cc23)cccc1
• 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: 7.8313 ± 0.0002 Å
• b: 21.0697 ± 0.0007 Å
• c: 22.2923 ± 0.0007 Å
• α: 90°
• β: 96.726 ± 0.002°
• γ: 90°
• Cell volume: 3652.98 ± 0.19 ų
• Cell temperature: 213.15 K
• Ambient diffraction temperature: 213.15 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: 0.0913
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No