Information card for entry 2240405

Structure parameters

• Chemical name: Aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<i>L</i>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-<i>N</i>,<i>N</i>')nickel(II) pentahydrate
• Formula: C25 H37 N3 Ni O9
• Calculated formula: C25 H37 N3 Ni O9
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Ni]124([NH](Cc3c(cccc3)O1)[C@H](C(=O)O2)CC(C)C)[OH2].O.O.O.O.O
• Title of publication: Crystal structure of aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<small>L</small>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) pentahydrate
• Authors of publication: Faizi, Md. Serajul Haque; Sharkina, Natalia O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 195 - 198
• a: 11.7968 ± 0.0002 Å
• b: 14.829 ± 0.0003 Å
• c: 16.1406 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2823.55 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes