Information card for entry 7102624

Structure parameters

• Formula: C13 H8 Cu3 N3 O4
• Calculated formula: C13 H8 Cu3 N3 O4
• Title of publication: A novel ligand-unsupported 3D framework polymer of trimeric copper(I) and its NLO property.
• Authors of publication: Kang, Yao; Yao, Yuan-Gen; Qin, Ye-Yan; Zhang, Jian; Chen, Yu-Biao; Li, Zhao-Ji; Wen, Yi-Hang; Cheng, Jian-Kai; Hu, Rui-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1046 - 1047
• a: 13.7541 ± 0.0004 Å
• b: 7.2352 ± 0.0003 Å
• c: 14.7958 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472.38 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No