Information card for entry 2211839

Structure parameters

• Chemical name: Diacetatobis[2-(2-furyl)-1H-imidazo[4,5-f](1,10-phenanthroline)cadmium(II)]
• Formula: C38 H26 Cd N8 O6
• Calculated formula: C38 H26 Cd N8 O6
• SMILES: c1ccc2c3c(c4ccc[n]5c4c2[n]1[Cd]1245([O]=C(O1)C)([n]1cccc5c6c(c7ccc[n]2c7c15)nc([nH]6)c1occc1)[O]=C(O4)C)nc([nH]3)c1occc1
• Title of publication: Diacetatobis[2-(2-furyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]cadmium(II)
• Authors of publication: Chuan-Bi Li; Yan-Wei Li; De-Qian Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m286 - m288
• a: 17.002 ± 0.003 Å
• b: 10.6323 ± 0.0018 Å
• c: 17.92 ± 0.003 Å
• α: 90°
• β: 99.521 ± 0.002°
• γ: 90°
• Cell volume: 3194.8 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes