Information card for entry 2214485

Structure parameters

• Chemical name: Chlorido{4-chloro-1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-\ κ^3^<i>C</i>,<i>N</i>,<i>S</i>}palladium(II)
• Formula: C13 H10 Cl2 N2 Pd S
• Calculated formula: C13 H10 Cl2 N2 Pd S
• SMILES: c1c(Cl)cc2[Pd]3(Cl)[S](C)c4c([N]3=Nc2c1)cccc4
• Title of publication: Chlorido{4-chloro-1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-κ^3^<i>C</i>,<i>N</i>,<i>S</i>}palladium(II): a second polymorph
• Authors of publication: Bagchi, Vivek; Das, Purak; Bandyopadhyay, Debkumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2130 - m2130
• a: 7.3978 ± 0.001 Å
• b: 8.8652 ± 0.0012 Å
• c: 20.978 ± 0.003 Å
• α: 90°
• β: 94.668 ± 0.002°
• γ: 90°
• Cell volume: 1371.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes