Information card for entry 4071703

Structure parameters

• Formula: C21 H25 Br2 Cl3 N4 O Pt
• Calculated formula: C21 H25 Br2 Cl3 N4 O Pt
• SMILES: [Pt]1(Br)(Br)([n]2cn(c3c2cccc3)CCOCCn2c[n]1c1c2cccc1)(C)C.C(Cl)(Cl)Cl
• Title of publication: Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation
• Authors of publication: Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4917
• a: 13.0583 ± 0.0002 Å
• b: 10.2477 ± 0.0002 Å
• c: 18.945 ± 0.0004 Å
• α: 90°
• β: 103.107 ± 0.002°
• γ: 90°
• Cell volume: 2469.13 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No