Information card for entry 4105484

Structure parameters

• Common name: Zn(CO2C6H5-CN4-C6H4CO2)(H2O)2
• Formula: C15 H10 N4 O5 Zn
• Calculated formula: C15 H10 N4 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: 16.3473 ± 0.001 Å
• b: 6.2913 ± 0.0004 Å
• c: 7.0714 ± 0.0004 Å
• α: 90°
• β: 95.929 ± 0.002°
• γ: 90°
• Cell volume: 723.37 ± 0.08 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: 0.0321
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No