Information card for entry 4310967

Structure parameters

• Formula: C29 H36 N2 O2 Zn
• Calculated formula: C29 H36 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(C=[N]2C(C)C)cccc3C)Oc2c(C=[N]1C(C)C)cccc2C.c1ccc(cc1)C
• 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: 15.1 ± 0.02 Å
• b: 14.89 ± 0.02 Å
• c: 11.94 ± 0.02 Å
• α: 90°
• β: 96.39 ± 0.11°
• γ: 90°
• Cell volume: 2668 ± 7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2202
• Residual factor for significantly intense reflections: 0.1635
• Weighted residual factors for significantly intense reflections: 0.384
• Weighted residual factors for all reflections included in the refinement: 0.4626
• Goodness-of-fit parameter for all reflections included in the refinement: 3.595
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No