Information card for entry 7049601

Structure parameters

• Common name: PdBTBT
• Chemical name: PdBTBT
• Formula: C33 H31.5 N2.5 O2 Pd S2
• Calculated formula: C33 H31.5 N2.5 O2 Pd S2
• Title of publication: New π-extended catecholato complexes of Pt(ii) and Pd(ii) containing a benzothienobenzothiophene (BTBT) moiety: synthesis, electrochemical behavior and charge transfer properties.
• Authors of publication: Tahara, Keishiro; Ashihara, Yuya; Higashino, Toshiki; Ozawa, Yoshiki; Kadoya, Tomofumi; Sugimoto, Kunihisa; Ueda, Akira; Mori, Hatsumi; Abe, Masaaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7367 - 7377
• a: 12.413 ± 0.003 Å
• b: 17.24 ± 0.005 Å
• c: 14.457 ± 0.004 Å
• α: 90°
• β: 109.918 ± 0.008°
• γ: 90°
• Cell volume: 2908.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.3009 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No