Information card for entry 7022093

Structure parameters

• Formula: C18 H20 F12 N2 P2 Pd S2
• Calculated formula: C18 H20 F12 N2 P2 Pd S2
• SMILES: [Pd]123[S](c4ccccc4C=[N]3CC[N]2=Cc2c([S]1C)cccc2)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reaction time dependent formation of Pd(II) and Pt(II) complexes of bis(methyl)thiasalen podand.
• Authors of publication: Dutta, Pradip Kr; Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 476 - 483
• a: 11.7171 ± 0.001 Å
• b: 9.479 ± 0.0008 Å
• c: 22.0703 ± 0.0019 Å
• α: 90°
• β: 92.692 ± 0.002°
• γ: 90°
• Cell volume: 2448.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No