Information card for entry 2209058

Structure parameters

• Chemical name: Tris(1,2-ethanediamine-N,N')nickel(II) dichloride dihydrate
• Formula: C6 H28 Cl2 N6 Ni O2
• Calculated formula: C6 H28 Cl2 N6 Ni O2
• SMILES: [Ni]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O.[Cl-].[Cl-]
• Title of publication: Tris(1,2-ethanediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate
• Authors of publication: Mei Chao Li; Bing Tu; Ya Qin Li; Ya Ping Lü; Zhi-Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1405 - m1407
• a: 26.186 ± 0.002 Å
• b: 13.8917 ± 0.0009 Å
• c: 12.8986 ± 0.0008 Å
• α: 90°
• β: 93.197 ± 0.002°
• γ: 90°
• Cell volume: 4684.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No