Information card for entry 7058055

Structure parameters

• Formula: C36 H42 N7 P Pd S
• Calculated formula: C33 H34 N7 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: 10.9066 ± 0.0005 Å
• b: 12.8213 ± 0.0006 Å
• c: 12.8595 ± 0.0006 Å
• α: 72.737 ± 0.004°
• β: 73.456 ± 0.004°
• γ: 69.959 ± 0.004°
• Cell volume: 1579.3 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No