Information card for entry 2241439

Structure parameters

• Chemical name: Tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate
• Formula: C18 H44 Cl3 Co N6 O
• Calculated formula: C18 H44 Cl3 Co N6 O
• Title of publication: Crystal structure of tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate
• Authors of publication: Gallagher, Megan K.; Oliver, Allen G.; Lappin, A. Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 49 - 52
• a: 18.7857 ± 0.0014 Å
• b: 18.7857 ± 0.0014 Å
• c: 13.8572 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4890.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes