Information card for entry 7018741

Structure parameters

• Formula: C34 H52 N4 O10 P2 Pd S4
• Calculated formula: C34 H52 N4 O10 P2 Pd S4
• SMILES: CC(C)OP1(N=C(S[Pd]2(SC(=NP(OC(C)C)(=[S]2)OC(C)C)Nc2ccccc2C(=O)OC)[S]=1)Nc1ccccc1C(=O)OC)OC(C)C.C1OCCOC1
• Title of publication: Halogen anion-induced formation of [(PdLX)(2)] (X = Cl(-), Br(-), I(-)) vs. [PdL(2)] (L = [6-MeO(O)CC(6)H(4)NHC(S)NP(S)(OiPr)(2)](-)): Reversible photoinduced cis/trans isomerization of [PdL(2)].
• Authors of publication: Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4324 - 4327
• a: 9.391 ± 0.0005 Å
• b: 9.6617 ± 0.001 Å
• c: 13.2526 ± 0.0014 Å
• α: 111.262 ± 0.01°
• β: 104.326 ± 0.007°
• γ: 92.377 ± 0.007°
• Cell volume: 1074.23 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No