Information card for entry 7018740

Structure parameters

• Formula: C30 H46 Cl2 N4 O9 P2 Pd2 S4
• Calculated formula: C30 H44 Cl2 N4 O8 P2 Pd2 S4
• SMILES: Cl[Pd]12[S]=P(OC(C)C)(OC(C)C)N=C(Nc3ccccc3C(=O)OC)[S]1[Pd]1([S]=P(OC(C)C)(OC(C)C)N=C(Nc3ccccc3C(=O)OC)[S]21)Cl
• 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: 8.6119 ± 0.0009 Å
• b: 11.1471 ± 0.0014 Å
• c: 13.3906 ± 0.0009 Å
• α: 106.14 ± 0.009°
• β: 99.678 ± 0.007°
• γ: 108.16 ± 0.01°
• Cell volume: 1126.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1819
• 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