Information card for entry 4310964

Structure parameters

• Formula: C34 H54 N2 O5 Zn2
• Calculated formula: C34 H54 N2 O5 Zn2
• SMILES: [Zn]12(Oc3c(cc(cc3)C)C=[N]2C(C)C)[O](C(C)(C)C)[Zn]2(Oc4c(cc(cc4)C)C=[N]2C(C)C)([O]1C(C)(C)C).O1CCCC1
• Title of publication: Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals
• Authors of publication: Eva Schön; Dietmar A. Plattner; Peter Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3164 - 3169
• a: 14.141 ± 0.003 Å
• b: 18.732 ± 0.011 Å
• c: 14.183 ± 0.005 Å
• α: 90°
• β: 101.26 ± 0.02°
• γ: 90°
• Cell volume: 3685 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0918
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No