Information card for entry 2229078

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) chloride 2-phenyl-4-selenazole-5-carboxylate decahydrate
• Formula: C46 H50 Cl N7 O12 Se Zn
• Calculated formula: C46 H50 Cl N7 O12 Se Zn
• SMILES: [Zn]123([n]4c5c6[n]2cccc6ccc5ccc4)([n]2c4c5[n]1cccc5ccc4ccc2)[n]1c2c4[n]3cccc4ccc2ccc1.[se]1c(nc(c1)C(=O)[O-])c1ccccc1.[Cl-].O.O.O.O.O.O.O.O.O.O
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) chloride 2-phenyl-4-selenazole-5-carboxylate decahydrate
• Authors of publication: Shen, Jin-Bei; Lv, Xin; Chen, Ji-Fei; Zhou, Yu-Feng; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m186 - m187
• a: 12.4837 ± 0.0009 Å
• b: 13.8935 ± 0.001 Å
• c: 15.8221 ± 0.0012 Å
• α: 77.618 ± 0.004°
• β: 89.642 ± 0.004°
• γ: 63.375 ± 0.004°
• Cell volume: 2383.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes