Information card for entry 2232161

Structure parameters

• Chemical name: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium sulfate hexahydrate
• Formula: C24 H32 Cd N4 O12 S
• Calculated formula: C24 H32 Cd N4 O12 S
• SMILES: [Cd]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)([OH2])[OH2].[O-]S(=O)(=O)[O-].O.O.O.O.O.O
• Title of publication: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium sulfate hexahydrate
• Authors of publication: Zhong, Kai-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1609 - m1610
• a: 10.344 ± 0.002 Å
• b: 12.086 ± 0.002 Å
• c: 13.331 ± 0.003 Å
• α: 71.54 ± 0.03°
• β: 88.37 ± 0.03°
• γ: 69.37 ± 0.03°
• Cell volume: 1473 ± 0.7 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 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: 0.0512
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes