Information card for entry 7019317

Structure parameters

• Formula: C34 H48 Mo N O3 S3
• Calculated formula: C34 H48 Mo N O3 S3
• SMILES: [Mo]123(Sc4ccccc4O1)(Sc1ccccc1O2)Sc1ccccc1O3.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 9.6 ± 0.003 Å
• b: 18.538 ± 0.005 Å
• c: 19.72 ± 0.006 Å
• α: 90°
• β: 97.4835 ± 0.0011°
• γ: 90°
• Cell volume: 3479.6 ± 1.8 ų
• Cell temperature: 223.1 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No