Information card for entry 7712306

Structure parameters

• Formula: C34.5 H51 B11 N3 O1.5 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(c3c2cccc3)ccc([C]2345[BH]678[BH]9%102[BH]2%114[BH]4%123[BH]357[BH]576[BH]6%13%14[BH]895[BH]%102%13[BH]%11%12%14[BH]4376)c1
• 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: 7.422 ± 0.0001 Å
• b: 16.9072 ± 0.0001 Å
• c: 31.1951 ± 0.0002 Å
• α: 90°
• β: 92.689 ± 0.001°
• γ: 90°
• Cell volume: 3910.21 ± 0.06 ų
• Cell temperature: 295.58 ± 0.1 K
• Ambient diffraction temperature: 295.58 ± 0.1 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: 0.0283
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No