Information card for entry 7004913

Structure parameters

• Common name: Bis(1,2-bis(methylthiomethyl)benzene)palladium(ii) hexafluorophosphate(V)
• Chemical name: Bis(1,2-bis(methylthiomethyl)benzene)palladium(II) hexafluorophosphate(V)
• Formula: C20 H28 F12 P2 Pd S4
• Calculated formula: C20 H28 F12 P2 Pd S4
• SMILES: [Pd]12([S](C)Cc3ccccc3C[S]1C)[S](C)Cc1ccccc1C[S]2C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Transition metal complexes with wide-angle dithio-, diseleno- and ditelluroethers: properties and structural systematics.
• Authors of publication: Levason, William; Nirwan, Manisha; Ratnani, Raju; Reid, Gillian; Tsoureas, Nikolaos; Webster, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 439 - 448
• a: 15.614 ± 0.002 Å
• b: 9.1855 ± 0.0015 Å
• c: 20.982 ± 0.003 Å
• α: 90°
• β: 109.356 ± 0.01°
• γ: 90°
• Cell volume: 2839.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No