Information card for entry 2009279

Structure parameters

• Chemical name: (Carbonato-O,O')bis(propane-1,3-diyldiamine-N,N')cobalt(III) chloride monohydrate
• Formula: C7 H22 Cl Co N4 O4
• Calculated formula: C7 H22 Cl Co N4 O4
• SMILES: [Co]123([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)OC(=O)O3.O.[Cl-]
• Title of publication: (Carbonato-<i>O</i>,<i>O</i>')bis(propane-1,3-diyldiamine-<i>N</i>,<i>N</i>')cobalt(III) chloride monohydrate
• Authors of publication: Zhu, Hai-Liang; Chen, Xiao-Ming
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2010 - 2012
• a: 9.009 ± 0.002 Å
• b: 6.756 ± 0.002 Å
• c: 21.276 ± 0.009 Å
• α: 90°
• β: 91.76 ± 0.01°
• γ: 90°
• Cell volume: 1294.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No