Information card for entry 7703906

Structure parameters

• Formula: C17 H26 Cl2 O2 P2 Pt
• Calculated formula: C17 H26 Cl2 O2 P2 Pt
• SMILES: [Pt](Cl)([P]1(C(=O)CCCC1=O)c1ccccc1)([P](CC)(CC)CC)Cl
• Title of publication: Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.
• Authors of publication: Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5482 - 5492
• a: 7.4569 ± 0.0009 Å
• b: 10.591 ± 0.002 Å
• c: 26.251 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1763
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2316
• Weighted residual factors for all reflections included in the refinement: 0.3003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No