Information card for entry 2208965

Structure parameters

• Chemical name: [3,3',3''-(1,4,7-Triazacyclononane-1,4,7-triyl)tripropanamide]nickel(II) bis(perchlorate)
• Formula: C15 H30 Cl2 N6 Ni O11
• Calculated formula: C15 H30 Cl2 N6 Ni O11
• SMILES: [Ni]12345[N]6(CC[N]1(CC[N]2(CC6)CCC(N)=[O]5)CCC(N)=[O]4)CCC(N)=[O]3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: [3,3',3''-(1,4,7-Triazacyclononane-1,4,7-triyl)tripropanamide]nickel(II) bis(perchlorate)
• Authors of publication: Liu, Rui; Li, Yi-Zhi; Zhang, Zhong; Wang, Zhi-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1064 - m1065
• a: 18.544 ± 0.002 Å
• b: 12.5781 ± 0.0014 Å
• c: 10.7292 ± 0.0012 Å
• α: 90°
• β: 105.562 ± 0.002°
• γ: 90°
• Cell volume: 2410.8 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes