Information card for entry 2014870

Structure parameters

• Chemical name: trans-Dicyano(trans-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt(III) trans-dicyano(trans-6,13-dimethyl- 1,4,8,11-tetraazacyclotetradecane-6,13-diaminium)cobalt(III) tetraperchlorate tetrahydrate
• Formula: C28 H70 Cl4 Co2 N16 O20
• Calculated formula: C28 H70 Cl4 Co2 N16 O20
• Title of publication: Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines
• Authors of publication: Paul V. Bernhardt; Nathan L. Kilah
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m245 - m249
• a: 9.0697 ± 0.0003 Å
• b: 10.5362 ± 0.0005 Å
• c: 13.3674 ± 0.0009 Å
• α: 87.805 ± 0.006°
• β: 82.909 ± 0.007°
• γ: 81.743 ± 0.005°
• Cell volume: 1254.21 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes