Information card for entry 8106598

Structure parameters

• Formula: C14 H18 Cd N4 O11
• Calculated formula: C14 H18 Cd N4 O11
• Title of publication: Crystal structure of diaqua-(2,2′-(butane-1,4-diyl)-bis(5-carboxy-1H-imidazole-4-carboxylato)-κ4 O,O′,N,N′)cadmium(II) monohydrate, C14H18O11N4Cd
• Authors of publication: Li, Ya-Xue; Wen, Dong-Xiao; An, Meng-Jin; Yang, Huai-Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 545 - 547
• a: 9.5135 ± 0.0003 Å
• b: 9.8632 ± 0.0003 Å
• c: 11.1419 ± 0.0004 Å
• α: 83.239 ± 0.001°
• β: 82 ± 0.001°
• γ: 61.461 ± 0.001°
• Cell volume: 907.93 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No