Information card for entry 4310965

Structure parameters

• Formula: C38 H62 N2 O5 Zn2
• Calculated formula: C38 H62 N2 O5 Zn2
• SMILES: [Zn]12(Oc3c(C=[N]2C(C)C)cccc3C(C)C)[O](C(C)(C)C)[Zn]2([O]1C(C)(C)C)Oc1c(C=[N]2C(C)C)cccc1C(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: 9.31 ± 0.02 Å
• b: 19.27 ± 0.03 Å
• c: 23.3 ± 0.02 Å
• α: 90°
• β: 86.63 ± 0.03°
• γ: 90°
• Cell volume: 4173 ± 12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No