Information card for entry 2201683

Structure parameters

• Chemical name: [1,4-Bis(pyridyl-2-ylmethyl)-1,4-diazacycloheptane]chlorocobalt(II) perchlorate
• Formula: C17 H22 Cl2 Co N4 O4
• Calculated formula: C17 H22 Cl2 Co N4 O4
• SMILES: [Co]123(Cl)[n]4ccccc4C[N]41CCC[N]2(CC4)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: [1,4-Bis(pyridyl-2-ylmethyl)-1,4-diazacycloheptane]chlorocobalt(II) perchlorate
• Authors of publication: Ya-Mei Guo; Miao Du; Shen-Tan Chen; Xian-He Bu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m454 - m456
• a: 12.286 ± 0.004 Å
• b: 7.3 ± 0.002 Å
• c: 22.573 ± 0.007 Å
• α: 90°
• β: 95.731 ± 0.006°
• γ: 90°
• Cell volume: 2014.4 ± 1.1 ų
• Cell temperature: 293 ± 2 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: 0.1346
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes