Information card for entry 2229049

Structure parameters

• Chemical name: Bis[2-(4-hydroxyphenyl)acetato-κ<i>O</i>]bis(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium pentahydrate
• Formula: C40 H40 Cd N4 O11
• Calculated formula: C40 H40 Cd N4 O11
• SMILES: [Cd]1234([n]5cccc6ccc7ccc[n]1c7c56)([n]1cccc5ccc6ccc[n]2c6c15)([O]=C(O3)Cc1ccc(O)cc1)[O]=C(O4)Cc1ccc(O)cc1.O.O.O.O.O
• Title of publication: Bis[2-(4-hydroxyphenyl)acetato-κ<i>O</i>]bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium pentahydrate
• Authors of publication: Yu, Yu-Ye
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m246
• a: 11.02 ± 0.001 Å
• b: 11.341 ± 0.001 Å
• c: 16.554 ± 0.002 Å
• α: 86.17 ± 0.001°
• β: 77.537 ± 0.001°
• γ: 70.836 ± 0.001°
• Cell volume: 1908.2 ± 0.3 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: 0.0304
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes