Information card for entry 2215708

Structure parameters

• Chemical name: Bis(μ-N,2-di-3-pyridylisoindoline-1-imine-κ^2^N,N')bis[aqua(perchlorato-\ κO)cadmium(II)] bis(perchlorate) methanol disolvate
• Formula: C74 H68 Cd2 Cl4 N16 O20
• Calculated formula: C74 H68 Cd2 Cl4 N16 O20
• SMILES: c1ccc2c[n]1[Cd]13([n]4cccc(N=C5N(Cc6c5cccc6)c5ccc[n](c5)[Cd]([n]5cccc(N6C(=N2)c2ccccc2C6)c5)([n]2cccc(c2)N=C2c5ccccc5CN2c2ccc[n]1c2)([n]1cccc(N=C2N(Cc5c2cccc5)c2ccc[n]3c2)c1)(OCl(=O)(=O)=O)[OH2])c4)(OCl(=O)(=O)=O)[OH2].[O-]Cl(=O)(=O)=O.OC.[O-]Cl(=O)(=O)=O.OC
• Title of publication: Bis(μ-<i>N</i>,2-di-3-pyridylisoindoline-1-imine-κ^2^<i>N</i>,<i>N</i>')bis[aqua(perchlorato-κ<i>O</i>)cadmium(II)] bis(perchlorate) methanol disolvate
• Authors of publication: Zhu, Li-Na; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2618 - m2618
• a: 21.0869 ± 0.0006 Å
• b: 14.8065 ± 0.0004 Å
• c: 24.565 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7669.8 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes