Information card for entry 7020156

Structure parameters

• Formula: C29 H42 N4 O15 S V2
• Calculated formula: C25 H26 N4 O11 S V2
• SMILES: [V]1234([O]([V]56([O]1C(OC)(c1[n]6cccc1)c1[n]5cccc1)(OS(=O)(=O)O2)=O)C(OC)(c1[n]4cccc1)c1[n]3cccc1)=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: 9.6747 ± 0.0008 Å
• b: 10.901 ± 0.0009 Å
• c: 16.2391 ± 0.0015 Å
• α: 90.065 ± 0.004°
• β: 104.274 ± 0.004°
• γ: 103.995 ± 0.004°
• Cell volume: 1607.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No