Information card for entry 2228802

Structure parameters

• Chemical name: (2-{[2-(2-Aminoethylamino)ethyl]iminomethyl}phenolato)nickel(II) chloride dihydrate
• Formula: C11 H20 Cl N3 Ni O3
• Calculated formula: C11 H20 Cl N3 Ni O3
• SMILES: [Ni]123Oc4c(cccc4)C=[N]1CC[NH]2CC[NH2]3.[Cl-].O.O
• Title of publication: (2-{[2-(2-Aminoethylamino)ethyl]iminomethyl}phenolato)nickel(II) chloride dihydrate
• Authors of publication: Wang, Dong'e
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m38
• a: 7.1062 ± 0.0016 Å
• b: 11.6685 ± 0.0019 Å
• c: 17.677 ± 0.002 Å
• α: 90°
• β: 96.699 ± 0.003°
• γ: 90°
• Cell volume: 1455.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes