Information card for entry 4080310

Structure parameters

• Formula: C29 H66 Cd O11 Zr2
• Calculated formula: C29 H66 Cd O11 Zr2
• SMILES: [Cd]1234([O](C(C)C)[Zr]56([O](C(C)C)[Zr]([O]25C(C)C)([O]36C(C)C)([O]4C(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)[O]=C(O1)C
• Title of publication: Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides
• Authors of publication: Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1654
• a: 9.6602 ± 0.0002 Å
• b: 24.5946 ± 0.0006 Å
• c: 26.7211 ± 0.0006 Å
• α: 76.331 ± 0.002°
• β: 89.826 ± 0.002°
• γ: 87.142 ± 0.002°
• Cell volume: 6160.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No