Information card for entry 7117530

Structure parameters

• Formula: C23 H26 Cl N O5 Pt S
• Calculated formula: C23 H26 Cl N O5 Pt S
• SMILES: c12[Pt](Cl)([n]3c(c2cccc1)cc(c1ccccc31)C(=O)OCCOCCOC)[S](C)(C)=O
• Title of publication: Water soluble, cyclometalated Pt(II)-Ln(III) conjugates towards novel bimodal imaging agents
• Authors of publication: Oliver J. Stacey; Angelo J. Amoroso; James A. Platts; Peter N. Horton; Simon J. Coles; David Lloyd; Catrin F. Williams; Anthony J. Hayes; Jay J. Dunsford; Simon J. A. Pope
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 12305
• a: 9.583 ± 0.0007 Å
• b: 9.8654 ± 0.0007 Å
• c: 14.2517 ± 0.001 Å
• α: 104.643 ± 0.004°
• β: 95.718 ± 0.003°
• γ: 114.866 ± 0.004°
• Cell volume: 1149.74 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No