Information card for entry 4070247

Structure parameters

• Formula: C20 H38 O12 Zn5
• Calculated formula: C20 H38 O12 Zn5
• SMILES: [Zn]12345[O]6[Zn]7([O]1C(=[O][Zn]1([O]=C([O]3[Zn]([O]=C6C)([O]4C(=[O][Zn]([O]2C(=[O]7)C)([O]=C([O]51)C)CC)C)CC)C)CC)C)CC
• Title of publication: Pentanuclear Complexes for a Series of Alkylzinc Carboxylates
• Authors of publication: Orchard, Katherine L.; White, Andrew J. P.; Shaffer, Milo S. P.; Williams, Charlotte K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5828
• a: 10.9551 ± 0.0002 Å
• b: 12.9319 ± 0.0002 Å
• c: 22.0224 ± 0.0004 Å
• α: 90.0423 ± 0.0014°
• β: 95.0744 ± 0.0014°
• γ: 91.7413 ± 0.0015°
• Cell volume: 3106.24 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No