Information card for entry 7002594

Structure parameters

• Common name: Compound 2
• Formula: C11 H16 Cl3 N3 O V
• Calculated formula: C11 H16 Cl3 N3 O V
• SMILES: [V](=O)(Cl)(Cl)(Cl)([N]#CC)[N]#CC.Cc1ccc(cc1)[NH3+]
• Title of publication: Synthesis, structure and ethylene polymerisation behaviour of vanadium(iv and v) complexes bearing chelating aryloxides
• Authors of publication: Homden, Damien; Redshaw, Carl; Warford, Lee; Hughes, David L.; Wright, Joseph A.; Dale, Sophie H.; Elsegood, Mark R. J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 8900 - 8910
• a: 8.6892 ± 0.0004 Å
• b: 7.7891 ± 0.0004 Å
• c: 11.8673 ± 0.0006 Å
• α: 90°
• β: 102.241 ± 0.0008°
• γ: 90°
• Cell volume: 784.93 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No