Information card for entry 4071704

Structure parameters

• Formula: C23 H30 Br2 Cl2 N4 O2 Pt
• Calculated formula: C23 H30 Br2 Cl2 N4 O2 Pt
• SMILES: [Pt]1(Br)(Br)([n]2c3c(n(c2)CCOCCOCCn2c[n]1c1c2cccc1)cccc3)(C)C.ClCCl
• 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: 9.999 ± 0.0004 Å
• b: 10.9524 ± 0.0003 Å
• c: 13.0425 ± 0.0011 Å
• α: 86.17°
• β: 67.837 ± 0.003°
• γ: 84.563 ± 0.003°
• Cell volume: 1316.09 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0214
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No