Information card for entry 7027345

Structure parameters

• Formula: C40 H96 N8 O8 Zr2
• Calculated formula: C40 H96 N8 O8 Zr2
• Title of publication: Zirconium mixed ligand isopropoxide/aminoalkoxide complexes: crystal structures of [Zr2(OPri)6(L)2] and [Zr2(OBut)3(bdmap)4(OH)] {where L = dmap, 1-dimethylaminopropan-2-olate and bdmap, 1,1-bis(dimethylamino)propan-2-olate}
• Authors of publication: Fleeting, Kirsty A.; O’Brien, Paul; Jones, Anthony C.; Otway, David J.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2853
• a: 12.5887 ± 0.0014 Å
• b: 14.147 ± 0.002 Å
• c: 17.0623 ± 0.0013 Å
• α: 86.483 ± 0.008°
• β: 70.62 ± 0.008°
• γ: 85.225 ± 0.011°
• Cell volume: 2854.7 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.1427
• Weighted residual factors for significantly intense reflections: 0.1136
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No