Information card for entry 4103398

Structure parameters

• Formula: C32 H26 Br4 N6 O4 Pd2 S2
• Calculated formula: C32 H26 Br4 N6 O4 Pd2 S2
• SMILES: [Pd]12([n]3c(N[N]2=Cc2c([S]1C)cccc2)cccc3)Br.[Pd]12([n]3c(N[N]2=Cc2c([S]1C)cccc2)cccc3)Br.BrC1=C([O-])C(=O)C(Br)=C([O-])C1=O
• 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: 40.506 ± 0.009 Å
• b: 8.8629 ± 0.0016 Å
• c: 21.647 ± 0.005 Å
• α: 90 ± 0.0005°
• β: 117.653 ± 0.0008°
• γ: 90 ± 0.0005°
• Cell volume: 6884 ± 3 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No