Information card for entry 4311133

Structure parameters

• Formula: C22 H39 Cl Cs2 N4 O24 Zr2
• Calculated formula: C22 H39 Cl Cs2 N4 O24 Zr2
• Title of publication: Structure and Dynamics of Dinuclear Zirconium(IV) Complexes
• Authors of publication: Weiqing Zhong; John A. Parkinson; Simon Parsons; Iain D. H. Oswald; Robert A. Coxall; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3561 - 3572
• a: 14.2765 ± 0.0008 Å
• b: 13.1465 ± 0.0007 Å
• c: 20.1326 ± 0.0011 Å
• α: 90°
• β: 102.708 ± 0.001°
• γ: 90°
• Cell volume: 3686 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No