Information card for entry 7024482

Structure parameters

• Formula: C31 H29 B N5 P Pt S3
• Calculated formula: C31 H29 B N5 P Pt S3
• SMILES: [Pt]12([S]=C3N([B]2(N2C(=S)N(C=C2)C)n2c(=[S]1)cccc2)C=CN3C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Unexpected pincer-type coordination (kappa3-SBS) within a zerovalent platinum metallaboratrane complex.
• Authors of publication: Owen, Gareth R.; Gould, P. Hugh; Hamilton, Alex; Tsoureas, Nikolaos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 49 - 52
• a: 15.9926 ± 0.0002 Å
• b: 10.1287 ± 0.0001 Å
• c: 20.0351 ± 0.0002 Å
• α: 90°
• β: 106.532 ± 0.001°
• γ: 90°
• Cell volume: 3111.21 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0246
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No