Information card for entry 7058050

Structure parameters

• Formula: C52 H56 N8 Pd2 S2
• Calculated formula: C52 H40 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: 11.6247 ± 0.0005 Å
• b: 14.8522 ± 0.0005 Å
• c: 14.4971 ± 0.0006 Å
• α: 90°
• β: 91.424 ± 0.004°
• γ: 90°
• Cell volume: 2502.19 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No