Information card for entry 4105485

Structure parameters

• Formula: C15 H10 N3.89 O5 Zn
• Calculated formula: C15 H10 N3.894 O5 Zn
• Title of publication: Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State
• Authors of publication: Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18036 - 18037
• a: 16.3448 ± 0.0017 Å
• b: 6.3194 ± 0.0007 Å
• c: 7.1439 ± 0.0007 Å
• α: 90°
• β: 96.469 ± 0.003°
• γ: 90°
• Cell volume: 733.19 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No