Information card for entry 2012022

Structure parameters

• Formula: C39.5 H48 Cl2 N2 O2 Zr
• Calculated formula: C39.5 H47 Cl2 N2 O2 Zr
• Title of publication: Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate
• Authors of publication: Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 674 - 675
• a: 29.2399 ± 0.0004 Å
• b: 12.5188 ± 0.0002 Å
• c: 23.8447 ± 0.0004 Å
• α: 90°
• β: 119.649 ± 0.0006°
• γ: 90°
• Cell volume: 7585.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes