Information card for entry 7112531

Structure parameters

• Formula: C29 H33 Cd N7 O8
• Calculated formula: C29 H29 Cd N7 O8
• Title of publication: Bright blue emissions with temperature-dependent quantum yields from microporous metal-organic frameworks.
• Authors of publication: Zhu, Qilong; Shen, Chaojun; Tan, Chunhong; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 531 - 533
• a: 12.943 ± 0.004 Å
• b: 12.329 ± 0.003 Å
• c: 23.867 ± 0.005 Å
• α: 90°
• β: 108.881 ± 0.012°
• γ: 90°
• Cell volume: 3603.6 ± 1.6 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: 0.0587
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No