Information card for entry 2220033

Structure parameters

• Chemical name: Bis(μ-2-hydroxybenozato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(2-hydroxybenozato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
• Formula: C52 H36 Cd2 N4 O12
• Calculated formula: C52 H36 Cd2 N4 O12
• SMILES: c1ccc2ccc3c4[n]([Cd]567([n]1c24)([O]=C(O5)c1c(O)cccc1)[O]1C(=[O][Cd]241([n]1cccc5ccc8ccc[n]2c8c15)([O]=C(O4)c1c(O)cccc1)[O]7C(=[O]6)c1c(O)cccc1)c1c(O)cccc1)ccc3
• Title of publication: Bis(μ-2-hydroxybenozato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(2-hydroxybenozato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
• Authors of publication: Shi, Qing-Yuan; Li, Zhi-Cheng; Cheng, Zong-Sheng; Tan, Jing-Bo; Liu, Jia-Lun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1458
• a: 27.9391 ± 0.0019 Å
• b: 10.3078 ± 0.0007 Å
• c: 20.468 ± 0.002 Å
• α: 90°
• β: 130.77 ± 0.001°
• γ: 90°
• Cell volume: 4464.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes