Information card for entry 7058049

Structure parameters

• Formula: C46 H44 N8 Pd2 S2
• Calculated formula: C46 H44 N8 Pd2 S2
• Title of publication: Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands
• Authors of publication: Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2307
• a: 14.0567 ± 0.0006 Å
• b: 16.0971 ± 0.0007 Å
• c: 18.9179 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4280.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No