Information card for entry 7002596

Structure parameters

• Common name: Compound 4
• Formula: C58 H83 N O8 S2 V
• Calculated formula: C58 H83 N O8 S2 V
• 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: 17.2685 ± 0.0019 Å
• b: 19.079 ± 0.002 Å
• c: 19.842 ± 0.002 Å
• α: 112.417 ± 0.0016°
• β: 98.4624 ± 0.0017°
• γ: 98.2682 ± 0.0017°
• Cell volume: 5832.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.8462 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No