Information card for entry 4064819

Structure parameters

• Formula: C41 H39 Cl Co N O2 Pt S
• Calculated formula: C41 H39 Cl Co N O2 Pt S
• SMILES: [Pt]1([N]2=C([c]34[Co]56789%10([C]%11(c%12ccccc%12)=[C]5(c5ccccc5)[C]6(=[C]7%11c5ccccc5)c5ccccc5)[c]13[cH]8[cH]9[cH]4%10)OC[C@@H]2C(C)C)(Cl)[S](=O)(C)C
• Title of publication: Diastereoselective Synthesis of Planar Chiral Cobalt Metallocene Based Oxazoline Platinacycles
• Authors of publication: Günay, M. Emin; Hughes, David L.; Richards, Christopher J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3901
• a: 11.14968 ± 0.00007 Å
• b: 13.38184 ± 0.0001 Å
• c: 23.65302 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3529.11 ± 0.04 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No