Information card for entry 7020158

Structure parameters

• Formula: C26 H28 N4 O14 V4
• Calculated formula: C26 H28 N4 O14 V4
• SMILES: c1cccc2C34c5cccc[n]5[V]5([O]6C7(c8cccc[n]8[V]6(=O)(=O)[O]5C)c5cccc[n]5[V]5([O]3[V]([n]12)(=O)(=O)[O]5C)(O7)(=O)OC)(O4)(=O)OC
• Title of publication: The "periodic table" of di-2-pyridyl ketone: vanadium complexes.
• Authors of publication: Sartzi, Harikleia; Stoumpos, Constantinos C.; Giouli, Maria; Verginadis, Ioannis I.; Karkabounas, Spyridon Ch; Cunha-Silva, Luís; Escuer, Albert; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 11984 - 11988
• a: 9.398 ± 0.003 Å
• b: 13.147 ± 0.004 Å
• c: 12.736 ± 0.004 Å
• α: 90°
• β: 98.249 ± 0.019°
• γ: 90°
• Cell volume: 1557.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No