Information card for entry 7022460

Structure parameters

• Formula: C30 H39 N4 O3 V
• Calculated formula: C30 H39 N4 O3 V
• SMILES: [V]123(=O)(Oc4c(N1)cc(cc4)C(C)(C)C)Oc1c(C=[N]3Nc3[n]2cccc3)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Stabilization of oxidovanadium(IV) by organic radicals.
• Authors of publication: Kundu, Suman; Maity, Suvendu; Maity, Amarendra Nath; Ke, Shyue-Chu; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4586 - 4601
• a: 21.409 ± 0.003 Å
• b: 15.021 ± 0.002 Å
• c: 20.778 ± 0.003 Å
• α: 90°
• β: 114.793 ± 0.002°
• γ: 90°
• Cell volume: 6066 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No