Information card for entry 2311412

Structure parameters

• Chemical name: Dichloro-tetrakis[μ-4-(ammoniomethyl)cyclohexane-1-carboxylato-\ <i>O</i>,<i>O</i>']dicopper(II) dichloride hexahydrate
• Formula: C32 H72 Cl4 Cu2 N4 O14
• Calculated formula: C32 H72 Cl4 Cu2 N4 O14
• SMILES: C1(=[O][Cu]234(OC(=[O][Cu]2(O1)(Cl)(OC(=[O]3)C1CCC(C[NH3+])CC1)[O]=C(O4)C1CCC(C[NH3+])CC1)C1CCC(CC1)C[NH3+])Cl)C1CCC(CC1)C[NH3+].O.O.[Cl-].O.[Cl-].O.O.O
• Title of publication: A copper(II) paddle-wheel structure of tranexamic acid: di-chloro-tetra-kis-[μ-4-(ammonio-meth-yl)cyclo-hexane-1-carboxyl-ato-<i>O</i>,<i>O</i>']dicopper(II) dichloride hexa-hydrate.
• Authors of publication: Altaf, Muhammad; Stoeckli-Evans, Helen
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1421 - 1425
• a: 14.71 ± 0.0011 Å
• b: 10.7163 ± 0.0006 Å
• c: 14.9312 ± 0.0012 Å
• α: 90°
• β: 91.828 ± 0.01°
• γ: 90°
• Cell volume: 2352.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No