Information card for entry 2008043

Structure parameters

• Formula: C12 H33 Cl4 Co N4 O3
• Calculated formula: C12 H30 Cl4 Co N4 O3
• SMILES: C1[NH]2[Co]3(Cl)(Cl)([NH]4CCC[C@H]4C2)[NH]2CCC[C@H]2C[NH]3C1.[Cl-].O.O.[Cl-].O
• Title of publication: Oxonium Λ-{<i>N</i>,<i>N</i>'-bis[2(<i>S</i>)-pyrrolidinylmethyl]ethane-1,2-diamine}-<i>cis</i>-α-dichlorocobalt(III) dichloride dihydrate
• Authors of publication: Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 56 - 58
• a: 12.852 ± 0.002 Å
• b: 12.852 ± 0.002 Å
• c: 13.037 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2153.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes