Information card for entry 7112653

Structure parameters

• Common name: Pt-complex
• Chemical name: Pt-complex
• Formula: C23 H36 B N2 Na O4.25 Pt
• Calculated formula: C23 H36 B N2 Na O4.25 Pt
• SMILES: [B]1(OC)(c2[n]([Pt]([n]3c1cccc3)(OC)OC)cccc2)C12CCCC1CCC2.[Na+].OC.C1OCCC1
• Title of publication: Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as m-dash]C coupling at a boron center with O2 as the oxidant mediated by platinum(II)
• Authors of publication: S. Pal; P. Y. Zavalij; A. N. Vedernikov
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5376
• a: 17.5793 ± 0.0011 Å
• b: 17.8585 ± 0.0011 Å
• c: 17.6641 ± 0.0011 Å
• α: 90°
• β: 116.313 ± 0.0008°
• γ: 90°
• Cell volume: 4970.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No