Information card for entry 4301927

Structure parameters

• Formula: C78 H126 N6 O9 V2
• Calculated formula: C78 H126 N6 O9 V2
• SMILES: [V]123(Oc4c(cc(cc4C[NH]1[C@@H]1CCCC[C@H]1[NH]3Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=O)O[V]123([NH](Cc4c(O3)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@@H]3CCCC[C@H]3[NH]1Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)=O.O=CN(C)C.O=CN(C)C.[V]123(Oc4c(cc(cc4C[NH]1[C@H]1CCCC[C@@H]1[NH]3Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=O)O[V]123([NH](Cc4c(O3)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@H]3CCCC[C@@H]3[NH]1Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)=O.O=CN(C)C.O=CN(C)C
• Title of publication: Synthesis, Characterization, and Application of Vanadium-Salan Complexes in Oxygen Transfer Reactions
• Authors of publication: Pedro Adão; João Costa Pessoa; Rui T. Henriques; Maxim L. Kuznetsov; Fernando Avecilla; Mannar R. Maurya; Umesh Kumar; Isabel Correia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3542 - 3561
• a: 19.503 ± 0.005 Å
• b: 16.308 ± 0.005 Å
• c: 25.577 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.283 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7917 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No