Information card for entry 8106211

Structure parameters

• Formula: C20 H17 Cd N5 O5
• Calculated formula: C20 H17 Cd N5 O5
• Title of publication: Crystal structure of catena-poly[aqua-(μ2-(3,5-di(1H-imidazol-1-yl)-pyridine-κ2 N:N′)-(μ2-2-(carboxylatomethyl)benzoato-κ2 O:O′)] cadmium(II), C20H17CdN5O5
• Authors of publication: Wei-Wei, Lu; Feng-Yang, Ju
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 545 - 546
• a: 8.762 ± 0.0009 Å
• b: 10.7139 ± 0.0011 Å
• c: 11.8897 ± 0.0012 Å
• α: 63.957 ± 0.002°
• β: 82.294 ± 0.002°
• γ: 74.709 ± 0.002°
• Cell volume: 967.1 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0215
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No