Information card for entry 7002677

Structure parameters

• Formula: C12 H11 Cl3 N3 V
• Calculated formula: C12 H11 Cl3 N3 V
• SMILES: [V]1(Cl)(Cl)(Cl)([n]2c(cccc2)c2[n]1cccc2)[N]#CC
• Title of publication: Tri-, tetra- and octa-metallic vanadium(III) clusters from new, simple starting materials: interplay of exchange and anisotropy effects
• Authors of publication: Tidmarsh, Ian S.; Batchelor, Luke J.; Scales, Emma; Laye, Rebecca H.; Sorace, Lorenzo; Caneschi, Andrea; Schnack, Jürgen; McInnes, Eric J. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9402 - 9409
• a: 8.1267 ± 0.0004 Å
• b: 6.6923 ± 0.0003 Å
• c: 25.9029 ± 0.001 Å
• α: 90°
• β: 92.583 ± 0.004°
• γ: 90°
• Cell volume: 1407.33 ± 0.11 ų
• Cell temperature: 373 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No