Information card for entry 7002678

Structure parameters

• Formula: C14 H11 Cl3 N3 V
• Calculated formula: C14 H11 Cl3 N3 V
• SMILES: [V]1(Cl)(Cl)(Cl)([n]2c3c(ccc2)ccc2c3[n]1ccc2)[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: 7.1643 ± 0.0003 Å
• b: 13.6669 ± 0.0006 Å
• c: 15.3407 ± 0.0007 Å
• α: 90°
• β: 101.388 ± 0.004°
• γ: 90°
• Cell volume: 1472.49 ± 0.11 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: 0.0219
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No