Information card for entry 7248599

Structure parameters

• Formula: C21 H30 Cd N5 O12 P
• Calculated formula: C21 H30 Cd N5 O12 P
• Title of publication: Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes
• Authors of publication: Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 8.6015 ± 0.0017 Å
• b: 11.121 ± 0.002 Å
• c: 13.895 ± 0.003 Å
• α: 90°
• β: 90.292 ± 0.007°
• γ: 90°
• Cell volume: 1329.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No