Information card for entry 4349467

Structure parameters

• Formula: C31 H29 Cd N5 O6
• Calculated formula: C31 H29 Cd N5 O6
• Title of publication: High photodegradation efficiency of phenol by mixed-metal‒organic frameworks
• Authors of publication: Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 944
• a: 9.5711 ± 0.0008 Å
• b: 12.438 ± 0.001 Å
• c: 26.565 ± 0.002 Å
• α: 90°
• β: 90.493 ± 0.004°
• γ: 90°
• Cell volume: 3162.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No