Information card for entry 7019320

Structure parameters

• Formula: C20 H15 Cu Mo N O3 S3
• Calculated formula: C20 H15 Cu Mo N O3 S3
• Title of publication: Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].
• Authors of publication: Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8303 - 8315
• a: 10.3274 ± 0.0015 Å
• b: 11.2089 ± 0.0019 Å
• c: 17.151 ± 0.002 Å
• α: 90°
• β: 92.542 ± 0.007°
• γ: 90°
• Cell volume: 1983.4 ± 0.5 ų
• Cell temperature: 163.1 K
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No