Information card for entry 4103392

Structure parameters

• Formula: C13 H12 Cl N3 Pd S
• Calculated formula: C13 H12 Cl N3 Pd S
• SMILES: [Pd]12(n3c(=N[N]2=Cc2c([S]1C)cccc2)cccc3)Cl
• Title of publication: Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies
• Authors of publication: Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15286 - 15298
• a: 7.297 ± 0.003 Å
• b: 8.506 ± 0.003 Å
• c: 21.594 ± 0.008 Å
• α: 90°
• β: 92.523 ± 0.006°
• γ: 90°
• Cell volume: 1339 ± 0.9 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.1 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 significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No