Information card for entry 4071701

Structure parameters

• Formula: C18 H32 Br2 N4 O4 Pt
• Calculated formula: C18 H32 Br2 N4 O4 Pt
• SMILES: [Pt]1(Br)(Br)([n]2cn(cc2)CCOCCOCCOCCOCCn2cc[n]1c2)(C)C
• 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: 11.9689 ± 0.0002 Å
• b: 25.0784 ± 0.0004 Å
• c: 8.1507 ± 0.0001 Å
• α: 90°
• β: 105.143 ± 0.002°
• γ: 90°
• Cell volume: 2361.57 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No