Information card for entry 7046875

Structure parameters

• Formula: C28 H38 Ca O8 S2
• Calculated formula: C28 H38 Ca O8 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: 8.082 ± 0.002 Å
• b: 16.472 ± 0.002 Å
• c: 22.655 ± 0.002 Å
• α: 90°
• β: 99.44 ± 0.01°
• γ: 90°
• Cell volume: 2975.1 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1881
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No