Information card for entry 7022092

Structure parameters

• Formula: C17 H17 F6 N2 P Pd S2
• Calculated formula: C17 H17 F6 N2 P Pd S2
• SMILES: C[S]1[Pd]23[N](=Cc4c1cccc4)CC[N]2=Cc1ccccc1S3.[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: 14.4109 ± 0.001 Å
• b: 8.1051 ± 0.0005 Å
• c: 17.2294 ± 0.0012 Å
• α: 90°
• β: 97.665 ± 0.002°
• γ: 90°
• Cell volume: 1994.4 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No