Information card for entry 7008309

Structure parameters

• Formula: C28 H52 N2 O11 S4 V
• Calculated formula: C28 H48 N2 O11 S4 V
• Title of publication: Tuning the intermolecular dative interactions by altering the ligand planarity and counter cations in vanadyl(IV) complexes.
• Authors of publication: Kim, Kwan Mook; Lee, Dongwon; Seo, Mi Sook; Park, Hyunjung; Song, Rita; Jun, Moo-Jin; Nam, Wonwoo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1567 - 1569
• a: 10.134 ± 0.002 Å
• b: 13.179 ± 0.003 Å
• c: 14.581 ± 0.002 Å
• α: 85.2 ± 0.016°
• β: 88.63 ± 0.015°
• γ: 72.88 ± 0.018°
• Cell volume: 1854.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.237
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No