Information card for entry 2210844

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^N,N')(phenethylmalonate-κ^2^O,O')zinc(II) octahydrate
• Formula: C35 H42 N4 O12 Zn
• Calculated formula: C35 H42 N4 O12 Zn
• SMILES: [Zn]123(OC(=O)C(C(=O)O1)CCc1ccccc1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.O.O.O.O.O.O.O.O
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenethylmalonato-κ^2^<i>O</i>,<i>O</i>')zinc(II) octahydrate
• Authors of publication: Sun, Ya-Guang; Ren, Ling; Gao, En-Jun; Liu, Xia; Wang, Chuan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2578 - m2580
• a: 10.493 ± 0.002 Å
• b: 13.144 ± 0.003 Å
• c: 14.214 ± 0.003 Å
• α: 76.395 ± 0.004°
• β: 83.852 ± 0.004°
• γ: 71.694 ± 0.004°
• Cell volume: 1807.8 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes