Information card for entry 2013713

Structure parameters

• Chemical name: cis-chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)
• Formula: C11 H27 Cl5 Co N5 Zn
• Calculated formula: C11 H27 Cl5 Co N5 Zn
• SMILES: C1C[NH]2CC3(C[NH]4CC[NH]5CCC[NH]1[Co]245(Cl)[NH2]3)C.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Geometric isomers of chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)
• Authors of publication: Bernhardt, Paul V.; Macpherson, Brendan P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m467 - m470
• a: 11.619 ± 0.001 Å
• b: 14.109 ± 0.003 Å
• c: 23.517 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3855.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes