Information card for entry 2221134

Structure parameters

• Chemical name: Bis(perchlorato-κ<i>O</i>)tetrakis[1-(2-pyridyl)-4-(4-pyridylmethyl- κ<i>N</i>)piperazine]cadmium(II)
• Formula: C60 H72 Cd Cl2 N16 O8
• Calculated formula: C60 H72 Cd Cl2 N16 O8
• SMILES: [Cd](OCl(=O)(=O)=O)(OCl(=O)(=O)=O)([n]1ccc(cc1)CN1CCN(CC1)c1ncccc1)([n]1ccc(cc1)CN1CCN(CC1)c1ncccc1)([n]1ccc(cc1)CN1CCN(CC1)c1ncccc1)[n]1ccc(cc1)CN1CCN(CC1)c1ncccc1
• Title of publication: Bis(perchlorato-κ<i>O</i>)tetrakis[1-(2-pyridyl)-4-(4-pyridylmethyl-κ<i>N</i>)piperazine]cadmium(II)
• Authors of publication: Farnum, Gregory A.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m274
• a: 34.958 ± 0.004 Å
• b: 9.1736 ± 0.0011 Å
• c: 24.153 ± 0.003 Å
• α: 90°
• β: 126.874 ± 0.001°
• γ: 90°
• Cell volume: 6196.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes