Information card for entry 7201046

Structure parameters

• Formula: C46 H40 Cd2 N4 O15
• Calculated formula: C46 H34 Cd2 N4 O15
• Title of publication: Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands
• Authors of publication: Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1842
• a: 10.4 ± 0.002 Å
• b: 11.48 ± 0.002 Å
• c: 12.407 ± 0.002 Å
• α: 112.591 ± 0.003°
• β: 107.961 ± 0.003°
• γ: 101.658 ± 0.003°
• Cell volume: 1211.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1048
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No