Information card for entry 7208163

Structure parameters

• Formula: C13 H12 Cu N O4
• Calculated formula: C13 H12 Cu N O4
• 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: 10.0635 ± 0.0005 Å
• b: 6.1226 ± 0.0002 Å
• c: 19.9763 ± 0.0009 Å
• α: 90°
• β: 103.34 ± 0.005°
• γ: 90°
• Cell volume: 1197.63 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No