Information card for entry 8101806

Structure parameters

• Chemical name: aqua(2,2'-bipyridine-N,N')bis(3-hydroxy-trans-cinnamato-O,O')cadmium(II)
• Formula: C28 H24 Cd N2 O7
• Calculated formula: C28 H24 Cd N2 O7
• SMILES: [Cd]123([O]=C(O1)/C=C/c1cc(O)ccc1)([O]=C(\C=C/c1cc(O)ccc1)O2)([OH2])[n]1ccccc1c1[n]3cccc1
• Title of publication: Crystal structure of aqua(2,2'-bipyridine-N,N')bis(3-hydroxy-trans- cinnamato-O,O')cadmium(II), Cd(H~2~O)(C~10~H~8~N~2~)(C~9~H~7~O~3~)~2~
• Authors of publication: Cheng, Y.-Q.; Cai, X.-Q.; Hu, M.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 390 - 392
• a: 8.688 ± 0.0008 Å
• b: 18.893 ± 0.0016 Å
• c: 15.5853 ± 0.0014 Å
• α: 90°
• β: 99.199 ± 0.002°
• γ: 90°
• Cell volume: 2525.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No