Information card for entry 4311132

Structure parameters

• Formula: C24 H46 N4 Na2 O26 Zr2
• Calculated formula: C24 H46 N4 Na2 O26 Zr2
• SMILES: C1[N]23CC4[O]5[Zr]6783([N](CC3[O]6[Zr]69%10%115([N](CC(=O)O%11)(CC(=O)O6)C4)[N](CC(=O)O%10)(C3)CC(=O)O9)(CC(=O)O8)CC(=O)O7)(OC1=O)OC(=O)C2.[Na+].O.O.[Na+].O.O.CCO.O.O.O
• 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: 9.4138 ± 0.0012 Å
• b: 13.9949 ± 0.0018 Å
• c: 14.9813 ± 0.0019 Å
• α: 75.912 ± 0.002°
• β: 86.104 ± 0.002°
• γ: 73.582 ± 0.002°
• Cell volume: 1836.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No