Information card for entry 2214500

Structure parameters

• Chemical name: Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis-(<i>N</i>,<i>N</i>'- diethylnicotinamide-κ<i>N</i>)zinc(II)
• Formula: C34 H40 Cl2 N4 O8 Zn
• Calculated formula: C34 H40 Cl2 N4 O8 Zn
• SMILES: [Zn]([OH2])([n]1cccc(c1)C(=O)N(CC)CC)([n]1cccc(c1)C(=O)N(CC)CC)(OC(=O)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)[OH2]
• Title of publication: Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis-(<i>N</i>,<i>N</i>'-diethylnicotinamide-κ<i>N</i>)zinc(II)
• Authors of publication: Sarı, Musa; Gökçe, Gültekin; Gökçe, Songül; Şahin, Ertan; Necefoǧlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2191 - m2191
• a: 7.357 ± 0.0002 Å
• b: 8.6887 ± 0.001 Å
• c: 15.9114 ± 0.001 Å
• α: 85.047 ± 0.005°
• β: 78.476 ± 0.005°
• γ: 67.321 ± 0.004°
• Cell volume: 919.49 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes