Information card for entry 2004631

Structure parameters

• Chemical name: Tris(2-aminoethyl)amine nickel(II) acetate perchlorate
• Formula: C8 H21 Cl N4 Ni O6
• Calculated formula: C8 H21 Cl N4 Ni O6
• SMILES: [Ni]1234([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)OC(C)=[O]4.Cl(=O)(=O)(=O)[O-]
• Title of publication: (Acetato-<i>O</i>,<i>O</i>')[tris(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) Perchlorate
• Authors of publication: Fun, H.-K.; Yip, B.-C.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 509 - 512
• a: 13.078 ± 0.002 Å
• b: 14.721 ± 0.002 Å
• c: 15.437 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2972 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.1064
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No