Information card for entry 4323123

Structure parameters

• Common name: K[Mo^VI^O2(btap)]
• Chemical name: Potassium bis(2-mercaptoethyl)-2-amino-4-methylphenoldioxomolybdate(VI)
• Formula: C11 H16 K Mo N O4 S2
• Calculated formula: C11 H16 K Mo N O4 S2
• Title of publication: Coordination Chemistry of a Tripodal S2ON Ligand: Syntheses, Structures, and Reactivity of the Molybdenum(VI) and Nickel(II) Complexes of Bis(2-mercaptoethyl)-2-amino-4-methylphenol (H3btap) and Comparison to V^V^O(btap)
• Authors of publication: Charles R. Cornman; Kevin L. Jantzi; Joseph I. Wirgau; Thad C. Stauffer; Jeff W. Kampf; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5851 - 5855
• a: 6.6596 ± 0.0009 Å
• b: 13.7446 ± 0.0009 Å
• c: 32.992 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3019.9 ± 0.5 ų
• Cell temperature: 148 K
• Ambient diffraction temperature: 148 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No