Information card for entry 7017398

Structure parameters

• Formula: C50 H73 N O5 V
• Calculated formula: C50 H73 N O5 V
• SMILES: [V]1234([N](Cc5c(O1)c(cc(c5)C(C)(C)C)C(C)(C)C)(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)[O]=C(C)C=C(O4)C
• Title of publication: Non-oxo 5-coordinate and 6-coordinate vanadium(iv) complexes with their precursor [LV(III)(CH(3)OH)](0), where L = a trianionic aminetris(phenolate)-[N,O,O,O] donor ligand: a magnetostructural and EPR study.
• Authors of publication: Kajiwara, Takashi; Wagner, Rita; Bill, Eckhard; Weyhermüller, Thomas; Chaudhuri, Phalguni
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 47
• Pages of publication: 12719 - 12726
• a: 14.2584 ± 0.0009 Å
• b: 19.0279 ± 0.0012 Å
• c: 17.548 ± 0.002 Å
• α: 90°
• β: 91.14 ± 0.01°
• γ: 90°
• Cell volume: 4760 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No