Information card for entry 2016398

Structure parameters

• Chemical name: Bis[μ-1-(1,10-phenanthrolin-2-yl)-2-pyridone]bis{aqua[1-(1,10-phenanthrolin-2- yl)-2-pyridone]cadmium(II)} tetrakis(perchlorate)
• Formula: C68 H48 Cd2 Cl4 N12 O22
• Calculated formula: C68 H48 Cd2 Cl4 N12 O22
• SMILES: c1cccc(=O)n1c1ccc2c3[n]1[Cd]14([n]5c3c(cc2)ccc5)([n]2c3c5[n]1cccc5ccc3ccc2n1c(=[O][Cd]23([n]5c(ccc6c5c5[n]2cccc5cc6)n2ccccc2=O)([n]2c5c6[n]3cccc6ccc5ccc2n2c(=O4)cccc2)[OH2])cccc1)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Bis[μ-1-(1,10-phenanthrolin-2-yl)-2-pyridone]bis{aqua[1-(1,10-phenanthrolin-2-yl)-2-pyridone]cadmium(II)} tetrakis(perchlorate)
• Authors of publication: Liu, Qi Sheng; Liu, Lian Dong; Shi, Jing Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m58 - m60
• a: 11.681 ± 0.002 Å
• b: 12.437 ± 0.002 Å
• c: 12.709 ± 0.002 Å
• α: 107.317 ± 0.002°
• β: 106.34 ± 0.002°
• γ: 91.838 ± 0.002°
• Cell volume: 1677.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes