Information card for entry 2230213

Structure parameters

• Chemical name: (5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1-naphthylacetato- κ<i>O</i>)(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>')zinc hemihydrate
• Formula: C36 H31 N2 O4.5 Zn
• Calculated formula: C36 H31 N2 O4.5 Zn
• SMILES: [Zn]12(OC(=O)Cc3cccc4ccccc34)(OC(=[O]1)Cc1cccc3ccccc13)[n]1cc(ccc1c1[n]2cc(cc1)C)C.O
• Title of publication: (5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1-naphthylacetato-κ<i>O</i>)(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>')zinc hemihydrate
• Authors of publication: Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m606
• a: 32.212 ± 0.007 Å
• b: 8.2668 ± 0.0017 Å
• c: 25.314 ± 0.005 Å
• α: 90°
• β: 117.865 ± 0.004°
• γ: 90°
• Cell volume: 5959 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes