Information card for entry 7058056

Structure parameters

• Formula: C33 H39 N4 O3 P Pd S
• Calculated formula: C31 H28 N4 O3 P Pd S
• 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: 9.2297 ± 0.0003 Å
• b: 11.1576 ± 0.0004 Å
• c: 16.1202 ± 0.0005 Å
• α: 72.627 ± 0.003°
• β: 76.087 ± 0.003°
• γ: 85.936 ± 0.002°
• Cell volume: 1537.87 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No