Information card for entry 7017530

Structure parameters

• Formula: C12 H13 Cu N9
• Calculated formula: C12 H13 Cu N9
• Title of publication: Synthesis, characterization and structural transformation of a discrete tetragonal metalloprism.
• Authors of publication: Wu, Jing-Yun; Zhong, Ming-Shiou; Chiang, Ming-Hsi; Tsai, Meng-Rong; Lai, Long-Li
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 156 - 164
• a: 8.1442 ± 0.0005 Å
• b: 18.2183 ± 0.0011 Å
• c: 9.8054 ± 0.0006 Å
• α: 90°
• β: 97.714 ± 0.002°
• γ: 90°
• Cell volume: 1441.7 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No