Information card for entry 2218272

Structure parameters

• Chemical name: Tetrakis(thiourea-κ<i>S</i>)palladium(II) dithiocyanate
• Formula: C6 H16 N10 Pd S6
• Calculated formula: C6 H16 N10 Pd S6
• SMILES: C(N)(N)=[S][Pd]([S]=C(N)N)([S]=C(N)N)[S]=C(N)N.C(#N)[S-].C(#N)[S-]
• Title of publication: Tetrakis(thiourea-κ<i>S</i>)palladium(II) dithiocyanate
• Authors of publication: Nadeem, Shafqat; Khawar Rauf, M.; Ebihara, Masahiro; Tirmizi, Syed Ahmed; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m698 - m699
• a: 8.136 ± 0.003 Å
• b: 12.966 ± 0.005 Å
• c: 8.81 ± 0.003 Å
• α: 90°
• β: 91.12 ± 0.05°
• γ: 90°
• Cell volume: 929.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0241
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes