Information card for entry 7103516

Structure parameters

• Formula: C33 H45 N2 P Pt S
• Calculated formula: C33 H45 N2 P Pt S
• SMILES: [Pt]1([S](C2=Cc3c(C2=P1(C(C)C)C(C)C)cccc3)C(C)(C)C)([n]1ccc(N(C)C)cc1)Cc1ccccc1
• Title of publication: (kappa(2)-P,S)Pt(benzyl) complexes derived from 1/3-P(i)Pr(2)-2-S(t)Bu-indene: facile synthesis of carbanion- and borate-containing zwitterions.
• Authors of publication: Hesp, Kevin D; McDonald, Robert; Ferguson, Michael J; Schatte, Gabriele; Stradiotto, Mark
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5645 - 5647
• a: 10.6807 ± 0.0009 Å
• b: 14.1937 ± 0.0011 Å
• c: 20.6273 ± 0.0017 Å
• α: 90°
• β: 97.7681 ± 0.0009°
• γ: 90°
• Cell volume: 3098.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0301
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No