Information card for entry 7240452

Structure parameters

• Formula: C8 H30 Br N4 O11 Pd S
• Calculated formula: C8 H30 Br N4 O11 Pd S
• Title of publication: Conductive zigzag Pd(III)‒Br chain complex realized by multiple-hydrogen-bond approach
• Authors of publication: Mian, Mohammad Rasel; Afrin, Unjila; Iguchi, Hiroaki; Takaishi, Shinya; Yoshida, Takefumi; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-ichi; Yamashita, Masahiro
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.4228 ± 0.0003 Å
• b: 10.2975 ± 0.0003 Å
• c: 21.9679 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1905.36 ± 0.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No