Information card for entry 7110037

Structure parameters

• Formula: C38 H33 Cl6 N3 O3 Pt S
• Calculated formula: C38 H33 Cl6 N3 O3 Pt S
• SMILES: [Pt]12([n]3c(c4[n]2cc(cc4)C)ccc(c3)C)c2c(cccc2)c2[n]1c(ccc2)c1ccccc1.S(=O)(=O)([O-])c1ccc(cc1)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Acid-base responsive switching between '3+1' and '2+2' platinum complexes
• Authors of publication: Dhassida Sooksawat; Sarah J. Pike; Alexandra M. Z. Slawin; Paul J. Lusby
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11077
• a: 16.521 ± 0.004 Å
• b: 14.33 ± 0.003 Å
• c: 17.844 ± 0.004 Å
• α: 90°
• β: 115.215 ± 0.005°
• γ: 90°
• Cell volume: 3822 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No