Information card for entry 7046878

Structure parameters

• Formula: C31 H44 Ba O9 S2
• Calculated formula: C31 H44 Ba O9 S2
• Title of publication: Group 2 metal bis(arenecarbochalcogenoate)(crown ether) complexes: isolation and structural analysis.
• Authors of publication: Tatematsu, Yoshiharu; Kato, Shinzi; Nakata, Norio; Ebihara, Masahiro; Niyomura, Osamu; Sugamata, Koh; Yukimoto, Mariko; Minoura, Mao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9787 - 9794
• a: 13.49 ± 0.002 Å
• b: 16.032 ± 0.001 Å
• c: 8.482 ± 0.002 Å
• α: 94.83 ± 0.02°
• β: 93.13 ± 0.02°
• γ: 107.059 ± 0.008°
• Cell volume: 1741.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No