Information card for entry 7114866

Structure parameters

• Formula: C40 H36 Cl20 N V
• Calculated formula: C40 H36 Cl20 N V
• SMILES: [V](c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: The first structurally characterised homoleptic organovanadium(iii) compound
• Authors of publication: Alonso, Pablo J.; Forniés, Juan; García-Monforte, M. Angeles; Martín, Antonio; Menjón, Babil
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2138
• a: 19.38 ± 0.001 Å
• b: 21.2586 ± 0.0013 Å
• c: 25.9052 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10672.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No