Information card for entry 7019316

Structure parameters

• Formula: C30 H36 Mo Na O6 S3
• Calculated formula: C30 H36 Mo Na O6 S3
• SMILES: [Mo]12345Sc6ccccc6[O]1[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]3c1c(S2)cccc1)[O]5c1c(S4)cccc1
• 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: 13.334 ± 0.003 Å
• b: 13.334 ± 0.003 Å
• c: 31.203 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4804.5 ± 1.8 ų
• Cell temperature: 223.1 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No