Information card for entry 2202654

Structure parameters

• Formula: C7 H22 Cl2 N4 Ni O
• Calculated formula: C7 H22 Cl2 N4 Ni O
• SMILES: [Ni]123([OH2])(Cl)[NH2]CC[NH]1CCC[NH]2CC[NH2]3.[Cl-]
• Title of publication: Aquachloro(1,4,8,11-tetraazaundecane)nickel(II) chloride
• Authors of publication: Oblezov, Alexandr E.; Talham, Daniel R.; Abboud, Khalil A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1070 - m1071
• a: 8.3029 ± 0.0006 Å
• b: 10.2497 ± 0.0007 Å
• c: 15.6829 ± 0.0011 Å
• α: 90°
• β: 94.47 ± 0.002°
• γ: 90°
• Cell volume: 1330.59 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes