Information card for entry 7202131

Structure parameters

• Formula: C56 H42 Cd2 N4 O12
• Calculated formula: C56 H42 Cd2 N4 O12
• Title of publication: An unusual metal‒organic framework showing both rotaxane- and cantenane-like motifs
• Authors of publication: Luo, Feng; Yang, Yu-Ting; Che, Yun-Xia; Zheng, Ji-Min
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 981
• a: 9.427 ± 0.003 Å
• b: 11.482 ± 0.004 Å
• c: 12.836 ± 0.004 Å
• α: 68.977 ± 0.007°
• β: 81.168 ± 0.005°
• γ: 65.834 ± 0.004°
• Cell volume: 1183.2 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No