Information card for entry 7002601

Structure parameters

• Formula: C97 H130.5 N3.5 O12 V4
• Calculated formula: C96 H129 N3 O12 V4
• 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: 14.821 ± 0.003 Å
• b: 17.649 ± 0.003 Å
• c: 22.129 ± 0.004 Å
• α: 80.787 ± 0.003°
• β: 76.259 ± 0.003°
• γ: 68.612 ± 0.003°
• Cell volume: 5218.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.6892 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No