Information card for entry 7007974

Structure parameters

• Formula: C18.5 H23 Cl N4 O5 V
• Calculated formula: C18.5 H19.5 Cl N4 O5 V
• SMILES: [V]1234(=O)(OO1)[N](Cc1[n]2cccc1)(Cc1[n]3cccc1)Cc1[n]4cccc1.[Cl-].OC.O.O
• Title of publication: Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.
• Authors of publication: Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1438 - 1447
• a: 9.0018 ± 0.0002 Å
• b: 16.064 ± 0.002 Å
• c: 28.6544 ± 0.0009 Å
• α: 90°
• β: 101.714 ± 0.0007°
• γ: 90°
• Cell volume: 4057.3 ± 0.5 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.75
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Molybdenum
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No