Information card for entry 7102505

Structure parameters

• Formula: C18 H25 Cl Fe N O2 Pt S
• Calculated formula: C18 H25 Cl Fe N O2 Pt S
• SMILES: [Pt]1([c]23[Fe]456789%10([cH]%11[cH]7[cH]6[cH]5[cH]4%11)[cH]2[cH]8[cH]9[c]3%10C=[N]1[C@H](CO)C(C)C)([S](=O)(C)C)Cl
• Title of publication: Easy access to diastereomerically pure platinacycles.
• Authors of publication: López, Concepción; Caubet, Amparo; Pérez, Sonia; Solans, Xavier; Font-Bardía, Mercè
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 540 - 541
• a: 7.174 ± 0.001 Å
• b: 9.678 ± 0.001 Å
• c: 28.887 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2005.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0388
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.0868
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No