Information card for entry 2018100

Structure parameters

• Chemical name: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine- κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate
• Formula: C64 H68 Cd2 Cl2 N12 O20
• Calculated formula: C64 H68 Cd2 Cl2 N12 O20
• Title of publication: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine-κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate: a novel supramolecular system constructed by π‒π and hydrogen-bonding interactions
• Authors of publication: Gao, Junlin; Wang, Jun; Nie, Jianhua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m181 - m184
• a: 7.4436 ± 0.0001 Å
• b: 19.0015 ± 0.0004 Å
• c: 23.7517 ± 0.0005 Å
• α: 90°
• β: 91.686 ± 0.001°
• γ: 90°
• Cell volume: 3357.98 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes