Information card for entry 4075696

Structure parameters

• Formula: C30 H40 Cl2 P2 Pt
• Calculated formula: C30 H40 Cl2 P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P]2(Cc3c(c4c(C[P]51C1CCCC5CCC1)cccc4)cccc3)C1CCCC2CCC1
• Title of publication: Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue
• Authors of publication: Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 335
• a: 11.1266 ± 0.0015 Å
• b: 19.528 ± 0.002 Å
• c: 12.6119 ± 0.0019 Å
• α: 90°
• β: 93.267 ± 0.009°
• γ: 90°
• Cell volume: 2735.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No