Information card for entry 7014326

Structure parameters

• Formula: C69 H134 Cl2 N6 O15 Zr4
• Calculated formula: C69 H134 Cl2 N6 O15 Zr4
• Title of publication: Oximate-substituted zirconium alkoxides.
• Authors of publication: Baumann, Stefan O.; Puchberger, Michael; Schubert, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1401 - 1406
• a: 12.8858 ± 0.0011 Å
• b: 25.158 ± 0.002 Å
• c: 25.611 ± 0.002 Å
• α: 90°
• β: 90.299 ± 0.002°
• γ: 90°
• Cell volume: 8302.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No