Information card for entry 1548558

Structure parameters

• Formula: C21 H26 Cd N4 O5
• Calculated formula: C21 H26 Cd N4 O5
• Title of publication: Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands
• Authors of publication: Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov
• Journal of publication: Crystals
• Year of publication: 2016
• Journal volume: 6
• Pages of publication: 132
• a: 9.2444 ± 0.001 Å
• b: 10.0116 ± 0.0008 Å
• c: 14.4659 ± 0.0013 Å
• α: 107.371 ± 0.008°
• β: 91.269 ± 0.008°
• γ: 116.622 ± 0.01°
• Cell volume: 1123.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No