Information card for entry 1512936

Structure parameters

• Formula: C58 H76 N4 O14 Zr2
• Calculated formula: C58 H76 N4 O14 Zr2
• SMILES: [Zr]12([O]=C(c3c(O1)cc(OC)cc3)c1ccc(OC)cc1O[Zr]1([O]=C(c3c(O1)cc(OC)cc3)c1c(O2)cc(OC)cc1)(OCC(C)(C)C)(OCC(C)(C)C)[n]1ccn(c1)C)(OCC(C)(C)C)(OCC(C)(C)C)[n]1ccn(c1)C
• Title of publication: Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2010
• Journal volume: 364
• Journal issue: 1
• Pages of publication: 69 - 80
• a: 10.656 ± 0.005 Å
• b: 10.881 ± 0.005 Å
• c: 14.684 ± 0.007 Å
• α: 82.717 ± 0.008°
• β: 74.81 ± 0.008°
• γ: 67.42 ± 0.008°
• Cell volume: 1516.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2686
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No