Information card for entry 2018664

Structure parameters

• Chemical name: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine- κ<i>N</i>)dimanaganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4)
• Formula: C64 H76 Cl2 Mn2 N12 O24
• Calculated formula: C64 H76 Cl2 Mn2 N12 O24
• Title of publication: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine-κ<i>N</i>)dimanganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4): a supramolecular system constructed by π‒π and hydrogen-bond interactions
• Authors of publication: Wang, Jun; Gao, Junlin; Zhao, Wenhua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m255 - m258
• a: 19.4565 ± 0.0006 Å
• b: 7.001 ± 0.0002 Å
• c: 31.1252 ± 0.0009 Å
• α: 90°
• β: 120.322 ± 0.002°
• γ: 90°
• Cell volume: 3659.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes