Information card for entry 2012532

Structure parameters

• Chemical name: [2,6-Bis(isopropylthiomethyl)phenyl-κ^3^S,C^1^,S]bromopalladium(II)
• Formula: C14 H21 Br Pd S2
• Calculated formula: C14 H21 Br Pd S2
• SMILES: [Pd]12(Br)[S](Cc3c2c(C[S]1C(C)C)ccc3)C(C)C
• Title of publication: [2,6-Bis(isopropylthiomethyl)phenyl-κ^3^<i>S</i>,<i>C</i>^1^,<i>S</i>']bromopalladium(II)
• Authors of publication: Bacsa, John; Moutloali, Richard M.; Darkwa, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m109 - m110
• a: 8.5591 ± 0.0002 Å
• b: 10.6777 ± 0.0002 Å
• c: 17.6816 ± 0.0004 Å
• α: 90°
• β: 103.042 ± 0.001°
• γ: 90°
• Cell volume: 1574.26 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes