Information card for entry 2212909

Structure parameters

• Chemical name: (dL-Methioninato-κ^2^N,O)(2,2',2''-triaminotriethylamine- κ^4^N,N',N'',N''')nickel(II) perchlorate dihydrate
• Formula: C11 H32 Cl N5 Ni O8 S
• Calculated formula: C11 H32 Cl N5 Ni O8 S
• SMILES: [Ni]1234(OC(=O)C([NH2]4)CCSC)[NH2]CC[N]3(CC[NH2]1)CC[NH2]2.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: (<small>DL</small>-Methioninato-κ^2^<i>N</i>,<i>O</i>)(2,2',2''-triaminotriethylamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate dihydrate
• Authors of publication: Hai-Qiong Yu,; Ya-Mei Pei; Zhi-Gang Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1015 - m1016
• a: 11.2597 ± 0.0013 Å
• b: 18.703 ± 0.002 Å
• c: 19.849 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4180 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes