Information card for entry 4308629

Structure parameters

• Common name: PdPQTS
• Formula: C18 H17 Cl N4 O2 Pd S
• Calculated formula: C18 H17 Cl N4 O2 Pd S
• SMILES: [Pd]12([N](N=C(S1)N)=C1C(=[O]2)c2ccccc2c2ccccc12)Cl.O=CN(C)C
• Title of publication: Antitumor Metallothiosemicarbazonates: Structure and Antitumor Activity of Palladium Complex of Phenanthrenequinone Thiosemicarbazone
• Authors of publication: Subhash Padhye; Zahra Afrasiabi; Ekk Sinn; Jansina Fok; Kapil Mehta; Nigam Rath
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1154 - 1156
• a: 10.552 ± 0.004 Å
• b: 5.3936 ± 0.0018 Å
• c: 33.071 ± 0.011 Å
• α: 90°
• β: 90.252 ± 0.008°
• γ: 90°
• Cell volume: 1882.2 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.1715
• Residual factor for significantly intense reflections: 0.1566
• Weighted residual factors for significantly intense reflections: 0.2799
• Weighted residual factors for all reflections included in the refinement: 0.2859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.407
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No