Information card for entry 2013880

Structure parameters

• Chemical name: Tetrakis(tetrahydrofuran-κO)lithium mer-tris(carbazolyl-κN)-trans-dichloro- (tetrahydrofuran-κO)zirconate
• Formula: C56 H64 Cl2 Li N3 O5 Zr
• Calculated formula: C56 H64 Cl2 Li N3 O5 Zr
• Title of publication: Tetrakis(tetrahydrofuran-κ<i>O</i>)lithium <i>mer</i>-tris(carbazolyl-κ<i>N</i>)-<i>trans</i>-dichloro(tetrahydrofuran-κ<i>O</i>)zirconate
• Authors of publication: Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m94 - m96
• a: 14.984 ± 0.005 Å
• b: 27.435 ± 0.009 Å
• c: 13.574 ± 0.004 Å
• α: 90°
• β: 113.22 ± 0.005°
• γ: 90°
• Cell volume: 5128 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes