Information card for entry 7115321

Structure parameters

• Formula: C38 H80 Br N4 O15 Pd S2
• Calculated formula: C38 H78 Br N4 O15 Pd S2
• Title of publication: Bromide-bridged palladium(III) chain complexes showing charge bistability near room temperature
• Authors of publication: Shohei Kumagai; Shinya Takaishi; Brian K. Breedlove; Hiroshi Okamoto; Hisaaki Tanaka; Shin-ichi Kuroda; Masahiro Yamashita
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8382
• a: 5.207 ± 0.003 Å
• b: 8.066 ± 0.005 Å
• c: 30.666 ± 0.019 Å
• α: 84.437 ± 0.005°
• β: 89.103 ± 0.005°
• γ: 86.149 ± 0.005°
• Cell volume: 1278.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No