Information card for entry 7208160

Structure parameters

• Formula: C40 H42 Cd2 N4 O13
• Calculated formula: C40 H32 Cd2 N4 O13
• Title of publication: Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties
• Authors of publication: Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 5649
• a: 12.1516 ± 0.0005 Å
• b: 10.0138 ± 0.0003 Å
• c: 17.5544 ± 0.0005 Å
• α: 90°
• β: 107.844 ± 0.004°
• γ: 90°
• Cell volume: 2033.33 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No