Information card for entry 1564180

Structure parameters

• Formula: C30 H37 N5 Na2 O16 V2
• Calculated formula: C30 H37 N5 Na2 O16 V2
• SMILES: [V]12(=O)(=O)OC(=N[N]1=Cc1c(O2)ccc2c1cccc2)CCCC1=N[N]2[V](Oc3c(C=2)c2c(cccc2)cc3)(=O)(O1)=O.[Na+].[Na+].O.O.O.O.O.O.N(C=O)(C)C.O
• Title of publication: Supramolecular bimetallic vanadium(V) complex driven by hydrogen bonding and O∙∙∙O chalcogen bonding interaction: Oxidation of cyclohexane and its application toward C H bond activation
• Authors of publication: Kurbah, Sunshine Dominic; Clovis, Ndege Simisi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119837
• a: 8.3309 ± 0.0006 Å
• b: 11.9489 ± 0.0019 Å
• c: 19.6741 ± 0.0015 Å
• α: 98.623 ± 0.009°
• β: 91.246 ± 0.006°
• γ: 104.582 ± 0.01°
• Cell volume: 1870.3 ± 0.4 ų
• Cell temperature: 296.08 ± 0.11 K
• Ambient diffraction temperature: 296.08 ± 0.11 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: 0.1559
• Residual factor for significantly intense reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.3849
• Weighted residual factors for all reflections included in the refinement: 0.4016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.512
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No