Information card for entry 4084132

Structure parameters

• Chemical name: eta4-(1,5-Cyclooctadien)-dimesitylplatinium(II)
• Formula: C26 H34 Pt
• Calculated formula: C26 H34 Pt
• SMILES: [Pt]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands
• Authors of publication: Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4027
• a: 7.991 ± 0.001 Å
• b: 12.918 ± 0.001 Å
• c: 20.335 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2099.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No