Information card for entry 7025706

Structure parameters

• Formula: C25 H32 Cl N3 O Pd S2
• Calculated formula: C25 H32 Cl N3 O Pd S2
• SMILES: [Pd]12(c3c(c4cccccc4c3C(=[S]2)N2CCCCC2)C(=[S]1)N1CCCCC1)Cl.O=CN(C)C
• Title of publication: Palladium(II) and platinum(II) complexes bearing a kappa(3)SCS pincer ligand with an azulene unit.
• Authors of publication: Kuwabara, Junpei; Munezawa, Goro; Okamoto, Ken; Kanbara, Takaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6255 - 6261
• a: 12.7161 ± 0.0006 Å
• b: 14.7195 ± 0.0005 Å
• c: 13.6311 ± 0.0006 Å
• α: 90°
• β: 91.4037 ± 0.0014°
• γ: 90°
• Cell volume: 2550.63 ± 0.19 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No