Information card for entry 2205865

Structure parameters

• Chemical name: Acetonitriledichloro(1,4,7-triazacyclodecane)cobalt(III) perchlorate
• Formula: C9 H20 Cl3 Co N4 O4
• Calculated formula: C9 H20 Cl3 Co N4 O4
• SMILES: C1C[NH]2CCC[NH]3[Co]2([NH]1CC3)([N]#CC)(Cl)Cl.[O-]Cl(=O)(=O)=O
• Title of publication: Acetonitriledichloro(1,4,7-triazacyclodecane)cobalt(III) perchlorate
• Authors of publication: Guo, Hui; Ren Yan-Wei; Li, Jun; Zhang, Feng-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1080 - m1081
• a: 20.863 ± 0.004 Å
• b: 10.7899 ± 0.0019 Å
• c: 7.363 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1657.5 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No