Information card for entry 4321899

Structure parameters

• Chemical name: bis(4,5-diazafluorene-9-one thiosemicarbazone)palladium(II) trihydrate
• Formula: C24 H22 N10 O3 Pd S2
• Calculated formula: C24 H22 N10 O3 Pd S2
• SMILES: [Pd]12(SC(N)=N[N]1=C1c3cccnc3c3ncccc13)SC(N)=N[N]2=C1c2cccnc2c2ncccc12.O.O.O
• Title of publication: Design, Synthesis, and Crystal Structure of a cis-Configuration N2S2-Coordinated Palladium(II) Complex: Role of the Intra- and Intermolecular Aromatic-Ring Stacking Interaction
• Authors of publication: Ze-Hua Liu; Chun-Ying Duan; Jun Hu; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1719 - 1724
• a: 10.749 ± 0.003 Å
• b: 10.749 ± 0.003 Å
• c: 19.872 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1988.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections: 0.147
• Weighted residual factors for significantly intense reflections: 0.1339
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No