Information card for entry 7201453

Structure parameters

• Formula: C27 H27 Cu N6 O10
• Calculated formula: C27 H27 Cu N6 O10
• Title of publication: ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters
• Authors of publication: Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2719
• a: 10.3969 ± 0.0019 Å
• b: 26.575 ± 0.005 Å
• c: 10.705 ± 0.002 Å
• α: 90°
• β: 108.183 ± 0.003°
• γ: 90°
• Cell volume: 2810.1 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No