Information card for entry 7206815

Structure parameters

• Formula: C22 H22 Cu N5 O9.5
• Calculated formula: C22 H21 Cu N5 O9.5
• Title of publication: Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands
• Authors of publication: Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6945
• a: 19.352 ± 0.003 Å
• b: 10.6369 ± 0.0014 Å
• c: 26.107 ± 0.003 Å
• α: 90°
• β: 102.614 ± 0.003°
• γ: 90°
• Cell volume: 5244.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No