Information card for entry 4103396

Structure parameters

• Formula: C27 H30 Br3 N3 O8 Pd S
• Calculated formula: C27 H30 Br3 N3 O8 Pd S
• SMILES: [Pd]12([n]3c(N[N]2=Cc2c([S]1C)cccc2)cccc3)Br.BrC1=C(O)C(=O)C(Br)=C([O-])C1=O.O1CCOCC1.O1CCOCC1
• 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: 9.779 ± 0.002 Å
• b: 12.792 ± 0.003 Å
• c: 13.927 ± 0.003 Å
• α: 97.402 ± 0.002°
• β: 96.785 ± 0.002°
• γ: 110.977 ± 0.003°
• Cell volume: 1587.6 ± 0.6 ų
• Cell temperature: 250.1 K
• Ambient diffraction temperature: 250.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No