Information card for entry 7008244

Structure parameters

• Formula: C30 H40 N4 O11 V3
• Calculated formula: C30 H40 N4 O11 V3
• SMILES: [V]12(=O)(Oc3ccccc3C3O[V]4(OC5=[N]6[V](=O)(Oc7ccccc57)([O]=C([N]46)CCCCC)OCC)(=O)N([N]2=3)C(=[O]1)CCCCC)OCC
• Title of publication: A linear trinuclear mixed valence vanadium(V/IV/V) complex: synthesis, characterization, and solution behavior.
• Authors of publication: Jin, Yinshi; Lee, Hong-In; Pyo, Myoungho; Lah, Myoung Soo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 797 - 803
• a: 9.407 ± 0.002 Å
• b: 14.364 ± 0.004 Å
• c: 14.709 ± 0.004 Å
• α: 65.655 ± 0.004°
• β: 89.823 ± 0.004°
• γ: 75.98 ± 0.004°
• Cell volume: 1746.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1797
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No