Information card for entry 2220045

Structure parameters

• Chemical name: Bis(μ-naphthalene-1,8-dicarboxylato)bis[aqua(2,2'-bipyridine)zinc(II)] tetrahydrate
• Formula: C44 H40 N4 O14 Zn2
• Calculated formula: C44 H40 N4 O14 Zn2
• SMILES: [Zn]12([n]3c(c4[n]1cccc4)cccc3)(OC(=O)c1cccc3cccc(c13)C(=O)O[Zn]1([n]3ccccc3c3[n]1cccc3)([OH2])OC(=O)c1cccc3cccc(c13)C(=O)O2)[OH2].O.O.O.O
• Title of publication: Bis(μ-naphthalene-1,8-dicarboxylato)bis[aqua(2,2'-bipyridine)zinc(II)] tetrahydrate
• Authors of publication: Feng, Xia; Wen, Yi-Hang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1559 - m1560
• a: 10.5774 ± 0.0012 Å
• b: 11.3074 ± 0.0013 Å
• c: 18.486 ± 0.002 Å
• α: 83.863 ± 0.007°
• β: 80.254 ± 0.007°
• γ: 72.197 ± 0.006°
• Cell volume: 2071.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes