Information card for entry 2232149

Structure parameters

• Chemical name: Aqua(4,4'-bipyridine-κ<i>N</i>)bis(1,4-dioxo-1,4-dihydronaphthalen-2-olato- κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc 4,4'-bipyridine monosolvate dihydrate
• Formula: C40 H32 N4 O9 Zn
• Calculated formula: C40 H32 N4 O9 Zn
• SMILES: [Zn]12([O]=C3C(O2)=CC(=O)c2ccccc32)([O]=C2C(O1)=CC(=O)c1ccccc21)([OH2])[n]1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.O.O
• Title of publication: Aqua(4,4'-bipyridine-κ<i>N</i>)bis(1,4-dioxo-1,4-dihydronaphthalen-2-olato-κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc 4,4'-bipyridine monosolvate dihydrate
• Authors of publication: Silva, Marcos M. P.; Carvalho, Lucas J.; Lanznaster, Maurício; Resende, Jackson A. L. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1489 - m1490
• a: 8.1448 ± 0.0016 Å
• b: 14.179 ± 0.003 Å
• c: 15.91 ± 0.003 Å
• α: 73.9 ± 0.03°
• β: 88.59 ± 0.03°
• γ: 89.53 ± 0.03°
• Cell volume: 1764.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1051
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes