Information card for entry 7701850

Structure parameters

• Chemical name: trans-bis(N,N-diethyl-N?-1-naphthoylthioureato)palladium(II)
• Formula: C32 H34 N4 O2 Pd S2
• Calculated formula: C32 H34 N4 O2 Pd S2
• Title of publication: Reversible Photo-isomerization of cis-[Pd(L-κS,O)2] (HL = N N-diethyl-N’-1-naphthoylthiourea) to trans-[Pd(L-κS,O)2] and the Unprecedented Formation of trans-[Pd(L-κS,N)2] in Solution.
• Authors of publication: Nkabyo, Henry A.; Procacci, Barbara; Duckett, Simon B.; Koch, Klaus R.
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 11.6405 ± 0.0015 Å
• b: 8.444 ± 0.0011 Å
• c: 14.7953 ± 0.0019 Å
• α: 90°
• β: 96.132 ± 0.002°
• γ: 90°
• Cell volume: 1445.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 6
• 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: 0.0286
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No